A0A087YF59_POEFO Loading...

Endothelin-converting enzyme 1

Converts big endothelin-1 to endothelin-1.

AlphaFold DB , UniProt , Accession A0A087YF59, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 752 aa.

Structure Viewer

Loading PAE data...

(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	31.7	Very low	28.8	Very low	249 Å²	249	159.8 Å²	159.8	100%	1.227	82%	0.82	S	S	*	*				0	120.9	0	-101.9	170.3	166.5	0	0	108.1
2	S	29	Very low	29.1	Very low	113 Å²	113	159.8 Å²	159.8	79%	0.79	81%	0.814	S	S	*	*			trans	30.4	103.6	169.6	-95.7	0	0	0	0	119.6
3	T	26.8	Very low	29.3	Very low	110 Å²	110	156.7 Å²	156.7	68%	0.675	80%	0.8	S	S	*	*				62.8	118.9	69	61.1	0	0	0	0	118.5
4	Y	27	Very low	29.4	Very low	189 Å²	189	155.9 Å²	155.9	74%	0.741	80%	0.798	S	S	*	*				105.5	118.2	124.3	-90.9	-52.1	0	0	0	122.2
5	K	27.3	Very low	29.6	Very low	171 Å²	171	153.7 Å²	153.7	74%	0.743	79%	0.794	S	S	*	*				88.4	119.3	123.4	-102.6	159.5	-171.8	-178.1	0	122.1
6	R	29.7	Very low	29.8	Very low	242 Å²	242	152.6 Å²	152.6	91%	0.913	79%	0.79	S	S	*	*			trans	-32.1	147.4	139.8	-86.2	175.3	171.2	165.5	-2.6	114.3
7	A	25.1	Very low	30	Very low	103 Å²	103	149.8 Å²	149.8	85%	0.851	79%	0.787	S	S	*	*				-167.7	153.6	121.1	0	0	0	0	0	111.6
8	T	31	Very low	30.2	Very low	126 Å²	126	147.8 Å²	147.8	77%	0.773	78%	0.782	S	S	*	*			trans	-94.3	173.9	179.5	42.8	0	0	0	0	112.7
9	L	25.6	Very low	30.3	Very low	153 Å²	153	146.4 Å²	146.4	80%	0.801	79%	0.785	S	S	*	*			trans	108.1	148	147.5	-78.8	157.7	0	0	0	119.5
10	D	31.8	Very low	30.6	Very low	139 Å²	139	146.6 Å²	146.6	74%	0.743	79%	0.786	S	S	*	*			trans	-74.6	-178.8	-158.3	-66.5	-57.4	0	0	0	117.4
11	E	31.6	Very low	30.8	Very low	163 Å²	163	147 Å²	147	76%	0.762	79%	0.788	S	S	*	*			trans	103.2	116.2	148.9	-77.8	-178.4	179.2	0	0	119.2
12	E	32.5	Very low	30.9	Very low	159 Å²	159	142 Å²	142	74%	0.743	77%	0.772	S	S	*	*				56.1	137.8	126.2	-69.7	-174.1	176.2	0	0	118.4
13	D	31.9	Very low	31.4	Very low	120 Å²	120	147.4 Å²	147.4	64%	0.642	78%	0.776	S	S	*	*			cis	-177.8	173.4	15.4	-135.7	-12.7	0	0	0	110.2
14	L	31.2	Very low	31.9	Very low	146 Å²	146	146.2 Å²	146.2	76%	0.764	78%	0.777	S	S	*	*			trans	75	139.8	147.5	-70.2	166.7	0	0	0	118.6
15	V	32.5	Very low	32.7	Very low	123 Å²	123	143 Å²	143	75%	0.745	78%	0.78	S	S	*	*			cis	-159.5	128.9	27.9	175.4	0	0	0	0	111.3
16	D	33	Very low	33.4	Very low	136 Å²	136	140.3 Å²	140.3	73%	0.727	78%	0.783	S	S	*	*				48	133.6	123.8	-138.7	-2.2	0	0	0	124.9
17	S	32.3	Very low	34.1	Very low	105 Å²	105	134.2 Å²	134.2	73%	0.734	77%	0.774	S	S	*	*				-174.6	107.7	120.3	41.3	0	0	0	0	113.7
18	T	33.7	Very low	34.8	Very low	114 Å²	114	137.2 Å²	137.2	70%	0.699	78%	0.775	S	S	*	*				50.9	121.3	130	61.6	0	0	0	0	121.7
19	S	32	Very low	35.4	Very low	120 Å²	120	138.8 Å²	138.8	84%	0.839	77%	0.774	S	S	*	*				173.9	156.2	93.5	44.9	0	0	0	0	113.3
20	D	35.6	Very low	36.2	Very low	150 Å²	150	136.4 Å²	136.4	80%	0.802	77%	0.765	S	S	*	*			trans	-61.7	146.1	-162.8	-58.5	-64.8	0	0	0	117.7
21	D	35.5	Very low	36.5	Very low	156 Å²	156	136.4 Å²	136.4	83%	0.834	77%	0.765	S	S	*	*				-179	126.2	111.4	-99.1	-27.9	0	0	0	111.9
22	V	34.5	Very low	37	Very low	145 Å²	145	137.6 Å²	137.6	88%	0.879	77%	0.768	S	S	*	*			trans	-91.4	111.1	-177.2	174.3	0	0	0	0	109.7
23	Y	38.3	Very low	37.6	Very low	225 Å²	225	137.7 Å²	137.7	88%	0.882	77%	0.773	S	S	*	*			trans	-104.5	122.1	160.5	-101.6	-90.7	0	0	0	109.9
24	A	39.1	Very low	38.1	Very low	85 Å²	85	138 Å²	138	70%	0.702	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-68.6	134.7	176.4	0	0	0	0	0	111.8
25	P	42.4	Very low	38.6	Very low	123 Å²	123	134.2 Å²	134.2	80%	0.799	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-85.1	120	166.7	31	-27	0	0	0	109.7
26	S	42.5	Very low	39.2	Very low	114 Å²	114	137.5 Å²	137.5	80%	0.797	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-62.3	132.5	168.5	-67.8	0	0	0	0	110.4	L28	S26-L28 PolarHBondContact O-N 3.31Å
27	P	44.8	Very low	40.1	Very low	114 Å²	114	139.2 Å²	139.2	74%	0.74	79%	0.794	S	S	*	*			trans	-77.8	113.4	167.6	30	-28.3	0	0	0	108.6	Q29	P27-Q29 VanDerWaalsContact C-N 3.29Å; P27-Q29 PolarHBondContact O-N 3.03Å
28	L	39.2	Very low	40.9	Very low	165 Å²	165	138.4 Å²	138.4	86%	0.864	79%	0.788	S	S	*	*			trans	-67	92.1	163	-109.6	148.8	0	0	0	107.9	S26 V30	S26-L28 PolarHBondContact O-N 3.31Å; L28-V30 PolarHBondContact O-N 3.14Å
29	Q	43.5	Very low	41.9	Very low	159 Å²	159	140 Å²	140	74%	0.743	79%	0.79	S	S	*	*			trans	-69.7	108.5	164.7	-83.4	-175.1	-21.6	0	0	108.8	P27 N31	P27-Q29 VanDerWaalsContact C-N 3.29Å; P27-Q29 PolarHBondContact O-N 3.03Å; Q29-N31 PolarHBondContact O-N 3.13Å
30	V	41.9	Very low	43	Very low	104 Å²	104	138.6 Å²	138.6	63%	0.63	78%	0.779	S	S	*	*			trans	-85.3	101.1	163.3	-178.2	0	0	0	0	107.4	L28 F32	L28-V30 PolarHBondContact O-N 3.14Å; V30-F32 HydrophobicContact CG1-CD2 4.2Å; V30-F32 HydrophobicContact CG1-CE2 3.97Å; V30-F32 HydrophobicContact CG1-CZ 4.5Å; V30-F32 PolarHBondContact O-N 2.86Å
31	N	38.9	Very low	44.1	Very low	138 Å²	138	139.8 Å²	139.8	74%	0.738	77%	0.773	S	S	*	*			trans	-71.4	107.8	168.6	-81	-30.1	0	0	0	109.3	Q29 L33	Q29-N31 PolarHBondContact O-N 3.13Å; N31-L33 PolarHBondContact O-N 3.09Å
32	F	42.5	Very low	45.2	Very low	188 Å²	188	137.5 Å²	137.5	83%	0.825	76%	0.764	S	S	*	*			trans	-77.7	111.6	162.6	-80.9	-85.7	0	0	0	109.1	V30	V30-F32 HydrophobicContact CG1-CD2 4.2Å; V30-F32 HydrophobicContact CG1-CE2 3.97Å; V30-F32 HydrophobicContact CG1-CZ 4.5Å; V30-F32 PolarHBondContact O-N 2.86Å
33	L	43.8	Very low	46.5	Very low	161 Å²	161	137.1 Å²	137.1	84%	0.843	76%	0.757	S	S	*	*			trans	-67.7	134.4	162.6	-78.1	158.8	0	0	0	108.9	N31 G35	N31-L33 PolarHBondContact O-N 3.09Å; L33-G35 PolarHBondContact O-N 2.71Å
34	P	44.3	Very low	47.8	Very low	127 Å²	127	130 Å²	130	83%	0.825	73%	0.73	S	S	*	*			trans	-74.1	92.4	173.1	30	-30.6	0	0	0	108.8
35	G	41	Very low	49.7	Very low	66 Å²	66	129.8 Å²	129.8	68%	0.68	72%	0.72	S	S	*	*			trans	-67.6	129	167.2	0	0	0	0	0	110	L33 N37	L33-G35 PolarHBondContact O-N 2.71Å; G35-N37 PolarHBondContact O-N 3.21Å
36	Q	44.7	Very low	51.3	Low	192 Å²	192	130.8 Å²	130.8	90%	0.897	72%	0.715	S	S	*	*			trans	-46.4	124	176.1	-78.5	168.4	-44.8	0	0	112	S38	Q36-S38 PolarHBondContact O-N 3.33Å
37	N	52.6	Low	53	Low	172 Å²	172	133.9 Å²	133.9	92%	0.92	71%	0.714	S	S	*	*			trans	-61.6	93.4	165.1	-91.4	-23.9	0	0	0	109.7	G35	G35-N37 PolarHBondContact O-N 3.21Å
38	S	49.2	Very low	54.6	Low	88 Å²	88	132.8 Å²	132.8	62%	0.615	70%	0.699	S	S	*	*			trans	-88.6	118.4	153.2	55.6	0	0	0	0	107.5	Q36 C40	Q36-S38 PolarHBondContact O-N 3.33Å; S38-C40 VanDerWaalsContact C-N 3.33Å; S38-C40 PolarHBondContact O-N 3.12Å
39	M	53.3	Low	56.6	Low	147 Å²	147	128.3 Å²	128.3	72%	0.724	67%	0.672	S	S	*	*			trans	-61.6	97.3	169.7	-79.5	174.3	68.6	0	0	108.5	W41 V42	M39-W41 PolarHBondContact O-N 3.16Å; M39-V42 HydrophobicContact CB-CG2 4.3Å; M39-V42 PolarHBondContact O-N 2.85Å
40	C	55.7	Low	58.5	Low	92 Å²	92	128.6 Å²	128.6	62%	0.622	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	10.8	174.9	-91.5	0	0	0	0	115.7	S38 K44	S38-C40 VanDerWaalsContact C-N 3.33Å; S38-C40 PolarHBondContact O-N 3.12Å; C40-K44 VanDerWaalsContact O-CE 3.22Å; C40-K44 WeakPolarHBondContact O-CE 3.43Å
41	W	58.5	Low	60.6	Low	175 Å²	175	129 Å²	129	66%	0.663	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	-20.2	-179.4	-132.3	87.4	0	0	0	112.9	M39 K49	M39-W41 PolarHBondContact O-N 3.16Å; W41-K49 HydrophobicContact CZ3-CD 4.3Å; W41-K49 WeakPolarHBondContact O-CE 3.42Å; W41-K49 PolarHBondContact O-NZ 3.11Å
42	V	59.7	Low	62.7	Low	107 Å²	107	126.3 Å²	126.3	65%	0.648	65%	0.65	S	S	*	*	S	Bend	trans	-80.9	-31.1	-177.7	-173	0	0	0	0	111.3	M39	M39-V42 HydrophobicContact CB-CG2 4.3Å; M39-V42 PolarHBondContact O-N 2.85Å
43	D	60.1	Low	64.8	Low	138 Å²	138	124.2 Å²	124.2	74%	0.738	64%	0.64	S	S	*	*	S	Bend	trans	-92	0.8	-175.9	-67.2	-33.2	0	0	0	115.9
44	K	66.4	Low	66.9	Low	75 Å²	75	121.1 Å²	121.1	33%	0.326	62%	0.624	S	S	.	*			trans	-84.2	130.9	-178.8	-69.3	-176	178.8	177.6	0	112.4	C40 E48 K49 L52	C40-K44 VanDerWaalsContact O-CE 3.22Å; C40-K44 WeakPolarHBondContact O-CE 3.43Å; K44-E48 WeakPolarHBondContact CA-OE2 3.38Å; K44-E48 HydrophobicContact CB-CB 4.23Å; K44-K49 HydrophobicContact CB-CG 4.04Å; K44-K49 VanDerWaalsContact O-CE 3.28Å; K44-K49 WeakPolarHBondContact O-CE 3.29Å; K44-L52 HydrophobicContact CD-CD1 3.58Å
45	T	78.7	Confident	69	Low	80 Å²	80	118.6 Å²	118.6	49%	0.491	61%	0.606	S	S	.	*			trans	-62.1	156.2	174.9	64.6	0	0	0	0	111.5	K47 E48 K49	T45-K47 PolarHBondContact O-N 3.19Å; T45-K47 VanDerWaalsContact O-N 3.12Å; T45-E48 PolarHBondContact N-OE2 3.26Å; T45-E48 PolarHBondContact O-N 3.2Å; T45-E48 VanDerWaalsContact OG1-CD 3.25Å; T45-E48 VanDerWaalsContact OG1-CG 3.31Å; T45-E48 WeakPolarHBondContact OG1-CG 3.35Å; T45-E48 PolarHBondContact OG1-N 3.25Å; T45-E48 PolarHBondContact OG1-OE2 3.38Å; T45-K49 PolarHBondContact O-N 2.98Å; T45-K49 VanDerWaalsContact O-N 3.07Å
46	Q	75.8	Confident	71.4	Confident	145 Å²	145	119 Å²	119	68%	0.678	60%	0.598	S	S	*	*	H	α-helix	trans	-58.9	-29	-178.9	-152	-173	24.3	0	0	112.6	R50	Q46-R50 WeakPolarHBondContact O-CG 3.32Å; Q46-R50 PolarHBondContact O-N 3.24Å
47	K	78.8	Confident	73.6	Confident	179 Å²	179	114.3 Å²	114.3	78%	0.778	58%	0.578	S	S	*	*	H	α-helix	trans	-70	-42.1	174.7	-68.8	-176	179.8	179.3	0	112.2	T45 R50 L51	T45-K47 PolarHBondContact O-N 3.19Å; T45-K47 VanDerWaalsContact O-N 3.12Å; K47-R50 PolarHBondContact O-N 2.72Å; K47-L51 WeakPolarHBondContact O-CB 3.42Å; K47-L51 PolarHBondContact O-N 3.36Å
48	E	79.3	Confident	75.4	Confident	91 Å²	91	111.2 Å²	111.2	43%	0.425	56%	0.561	S	S	.	*	H	α-helix	trans	-67.6	-37.5	177.5	-70.9	163.6	150.5	0	0	112.2	K44 T45 L51 L52	K44-E48 WeakPolarHBondContact CA-OE2 3.38Å; K44-E48 HydrophobicContact CB-CB 4.23Å; T45-E48 PolarHBondContact N-OE2 3.26Å; T45-E48 PolarHBondContact O-N 3.2Å; T45-E48 VanDerWaalsContact OG1-CD 3.25Å; T45-E48 VanDerWaalsContact OG1-CG 3.31Å; T45-E48 WeakPolarHBondContact OG1-CG 3.35Å; T45-E48 PolarHBondContact OG1-N 3.25Å; T45-E48 PolarHBondContact OG1-OE2 3.38Å; E48-L51 PolarHBondContact O-N 2.7Å; E48-L52 WeakPolarHBondContact O-CB 3.23Å; E48-L52 WeakPolarHBondContact O-CD1 3.16Å; E48-L52 WeakPolarHBondContact O-CG 3.18Å; E48-L52 PolarHBondContact O-N 2.89Å
49	K	80.5	Confident	77.3	Confident	71 Å²	71	110.4 Å²	110.4	31%	0.309	56%	0.556	S	S	.	*	H	α-helix	trans	-63.6	-41.9	174.1	-69.4	-179.7	177.4	174.5	0	111.8	W41 K44 T45 F53	W41-K49 HydrophobicContact CZ3-CD 4.3Å; W41-K49 WeakPolarHBondContact O-CE 3.42Å; W41-K49 PolarHBondContact O-NZ 3.11Å; K44-K49 HydrophobicContact CB-CG 4.04Å; K44-K49 VanDerWaalsContact O-CE 3.28Å; K44-K49 WeakPolarHBondContact O-CE 3.29Å; T45-K49 PolarHBondContact O-N 2.98Å; T45-K49 VanDerWaalsContact O-N 3.07Å; K49-F53 WeakPolarHBondContact O-CB 3.32Å; K49-F53 PolarHBondContact O-N 3.16Å
50	R	82.9	Confident	79.2	Confident	165 Å²	165	106.8 Å²	106.8	62%	0.623	54%	0.542	S	S	*	.	H	α-helix	trans	-65.2	-41.4	173.6	-74.6	179.8	-179.1	-177.3	2.1	112.1	Q46 K47 F53 L54	Q46-R50 WeakPolarHBondContact O-CG 3.32Å; Q46-R50 PolarHBondContact O-N 3.24Å; K47-R50 PolarHBondContact O-N 2.72Å; R50-F53 PolarHBondContact O-N 3.02Å; R50-L54 WeakPolarHBondContact O-CB 3.32Å; R50-L54 PolarHBondContact O-N 3Å
51	L	85.2	Confident	80.8	Confident	112 Å²	112	104.8 Å²	104.8	59%	0.586	53%	0.532	S	S	*	.	H	α-helix	trans	-64.3	-44.4	177.8	-172.6	67.9	0	0	0	111.5	K47 E48 F53 L54 V55	K47-L51 WeakPolarHBondContact O-CB 3.42Å; K47-L51 PolarHBondContact O-N 3.36Å; E48-L51 PolarHBondContact O-N 2.7Å; L51-F53 PolarHBondContact O-N 2.87Å; L51-L54 WeakPolarHBondContact O-CB 3.44Å; L51-L54 PolarHBondContact O-N 2.82Å; L51-V55 WeakPolarHBondContact O-CB 3.48Å; L51-V55 VanDerWaalsContact O-CG2 3.27Å; L51-V55 WeakPolarHBondContact O-CG2 3.27Å; L51-V55 PolarHBondContact O-N 3.31Å
52	L	83.7	Confident	82.4	Confident	82 Å²	82	100 Å²	100	43%	0.429	52%	0.522	S	S	.	.	H	α-helix	trans	-63.9	-39.2	176.3	-80.4	158.2	0	0	0	112.5	K44 E48 V55 C56	K44-L52 HydrophobicContact CD-CD1 3.58Å; E48-L52 WeakPolarHBondContact O-CB 3.23Å; E48-L52 WeakPolarHBondContact O-CD1 3.16Å; E48-L52 WeakPolarHBondContact O-CG 3.18Å; E48-L52 PolarHBondContact O-N 2.89Å; L52-V55 PolarHBondContact O-N 3.42Å; L52-C56 VanDerWaalsContact O-CB 3.29Å; L52-C56 WeakPolarHBondContact O-CB 3.35Å; L52-C56 PolarHBondContact O-N 3.43Å
53	F	86.1	Confident	83.9	Confident	143 Å²	143	101.2 Å²	101.2	63%	0.627	52%	0.518	S	S	*	.	H	α-helix	trans	-64.3	-43.1	174.2	-175.2	-102.8	0	0	0	111.7	K49 R50 L51 C56 L57	K49-F53 WeakPolarHBondContact O-CB 3.32Å; K49-F53 PolarHBondContact O-N 3.16Å; R50-F53 PolarHBondContact O-N 3.02Å; L51-F53 PolarHBondContact O-N 2.87Å; F53-C56 PolarHBondContact O-N 2.92Å; F53-L57 HydrophobicContact CD1-CD1 3.73Å; F53-L57 HydrophobicContact CE1-CD1 3.27Å; F53-L57 HydrophobicContact CE1-CG 4.27Å; F53-L57 HydrophobicContact CZ-CD1 3.8Å; F53-L57 HydrophobicContact CZ-CG 4.42Å; F53-L57 WeakPolarHBondContact O-CB 3.4Å; F53-L57 PolarHBondContact O-N 3.31Å
54	L	87.6	Confident	85.4	Confident	97 Å²	97	99.1 Å²	99.1	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-62	-44.8	173.8	-97	154.2	0	0	0	112.5	R50 L51 C56 L57 L58	R50-L54 WeakPolarHBondContact O-CB 3.32Å; R50-L54 PolarHBondContact O-N 3Å; L51-L54 WeakPolarHBondContact O-CB 3.44Å; L51-L54 PolarHBondContact O-N 2.82Å; L54-C56 VanDerWaalsContact C-N 3.34Å; L54-L57 PolarHBondContact O-N 3.32Å; L54-L58 WeakPolarHBondContact O-CB 3.4Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.12Å; L54-L58 PolarHBondContact O-N 3.07Å
55	V	90.2	Very high	86.5	Confident	74 Å²	74	99 Å²	99	45%	0.448	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-41.9	176.3	170	0	0	0	0	110.5	L51 L52 L58 S59	L51-V55 WeakPolarHBondContact O-CB 3.48Å; L51-V55 VanDerWaalsContact O-CG2 3.27Å; L51-V55 WeakPolarHBondContact O-CG2 3.27Å; L51-V55 PolarHBondContact O-N 3.31Å; L52-V55 PolarHBondContact O-N 3.42Å; V55-L58 PolarHBondContact O-N 3.41Å; V55-S59 WeakPolarHBondContact O-CB 3.3Å; V55-S59 PolarHBondContact O-N 2.97Å; V55-S59 PolarHBondContact O-OG 3.04Å
56	C	89.8	Confident	87	Confident	75 Å²	75	102.5 Å²	102.5	51%	0.507	52%	0.524	S	S	.	.	H	α-helix	trans	-64	-44.4	176.5	-165.8	0	0	0	0	111.6	L52 F53 L54 L58 S59 V60	L52-C56 VanDerWaalsContact O-CB 3.29Å; L52-C56 WeakPolarHBondContact O-CB 3.35Å; L52-C56 PolarHBondContact O-N 3.43Å; F53-C56 PolarHBondContact O-N 2.92Å; L54-C56 VanDerWaalsContact C-N 3.34Å; C56-L58 PolarHBondContact O-N 2.83Å; C56-S59 PolarHBondContact O-N 3.23Å; C56-V60 WeakPolarHBondContact O-CB 3.26Å; C56-V60 VanDerWaalsContact O-CG2 3.27Å; C56-V60 WeakPolarHBondContact O-CG2 3.25Å; C56-V60 PolarHBondContact O-N 3.18Å
57	L	90.9	Very high	87.6	Confident	92 Å²	92	99.8 Å²	99.8	48%	0.482	51%	0.513	S	S	.	.	H	α-helix	trans	-59.5	-44.9	173.6	-93.9	165.7	0	0	0	112.5	F53 L54 V60 A61	F53-L57 HydrophobicContact CD1-CD1 3.73Å; F53-L57 HydrophobicContact CE1-CD1 3.27Å; F53-L57 HydrophobicContact CE1-CG 4.27Å; F53-L57 HydrophobicContact CZ-CD1 3.8Å; F53-L57 HydrophobicContact CZ-CG 4.42Å; F53-L57 WeakPolarHBondContact O-CB 3.4Å; F53-L57 PolarHBondContact O-N 3.31Å; L54-L57 PolarHBondContact O-N 3.32Å; L57-V60 PolarHBondContact O-N 3.04Å; L57-A61 WeakPolarHBondContact O-CB 3.36Å; L57-A61 PolarHBondContact O-N 3Å
58	L	91.3	Very high	87.8	Confident	107 Å²	107	93.6 Å²	93.6	56%	0.56	49%	0.492	S	S	*	.	H	α-helix	trans	-65.9	-42.6	177.6	-72.9	169	0	0	0	111.5	L54 V55 C56 V60 A61 V62	L54-L58 WeakPolarHBondContact O-CB 3.4Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.12Å; L54-L58 PolarHBondContact O-N 3.07Å; V55-L58 PolarHBondContact O-N 3.41Å; C56-L58 PolarHBondContact O-N 2.83Å; L58-V60 VanDerWaalsContact C-N 3.34Å; L58-V60 PolarHBondContact O-N 3.47Å; L58-A61 PolarHBondContact O-N 3.47Å; L58-V62 WeakPolarHBondContact O-CB 3.16Å; L58-V62 VanDerWaalsContact O-CG2 3.24Å; L58-V62 WeakPolarHBondContact O-CG2 3.41Å; L58-V62 PolarHBondContact O-N 2.89Å
59	S	89.6	Confident	87.9	Confident	71 Å²	71	91.9 Å²	91.9	50%	0.497	49%	0.494	S	S	.	.	H	α-helix	trans	-62.7	-40.4	175.7	-63.7	0	0	0	0	112.1	V55 C56 V62 F63	V55-S59 WeakPolarHBondContact O-CB 3.3Å; V55-S59 PolarHBondContact O-N 2.97Å; V55-S59 PolarHBondContact O-OG 3.04Å; C56-S59 PolarHBondContact O-N 3.23Å; S59-V62 PolarHBondContact O-N 2.9Å; S59-F63 VanDerWaalsContact O-CB 3.3Å; S59-F63 WeakPolarHBondContact O-CB 3.44Å; S59-F63 PolarHBondContact O-N 3.24Å
60	V	91.6	Very high	87.8	Confident	72 Å²	72	90 Å²	90	44%	0.436	50%	0.495	S	S	.	.	H	α-helix	trans	-65.9	-43.3	174	170.6	0	0	0	0	110.7	C56 L57 L58 V62 F63 I64	C56-V60 WeakPolarHBondContact O-CB 3.26Å; C56-V60 VanDerWaalsContact O-CG2 3.27Å; C56-V60 WeakPolarHBondContact O-CG2 3.25Å; C56-V60 PolarHBondContact O-N 3.18Å; L57-V60 PolarHBondContact O-N 3.04Å; L58-V60 VanDerWaalsContact C-N 3.34Å; L58-V60 PolarHBondContact O-N 3.47Å; V60-V62 VanDerWaalsContact C-N 3.35Å; V60-V62 PolarHBondContact O-N 3.21Å; V60-F63 PolarHBondContact O-N 3.42Å; V60-I64 HydrophobicContact CG1-CD1 3.73Å; V60-I64 HydrophobicContact CG1-CG1 4.36Å; V60-I64 WeakPolarHBondContact O-CB 3.34Å; V60-I64 VanDerWaalsContact O-CG1 3.25Å; V60-I64 WeakPolarHBondContact O-CG1 3.46Å; V60-I64 PolarHBondContact O-N 3.44Å
61	A	90	Very high	87.6	Confident	49 Å²	49	85.7 Å²	85.7	41%	0.405	49%	0.487	S	S	.	.	H	α-helix	trans	-63.3	-39.7	176.8	0	0	0	0	0	112.3	L57 L58 S65	L57-A61 WeakPolarHBondContact O-CB 3.36Å; L57-A61 PolarHBondContact O-N 3Å; L58-A61 PolarHBondContact O-N 3.47Å; A61-S65 WeakPolarHBondContact O-CB 3.47Å; A61-S65 PolarHBondContact O-N 2.64Å; A61-S65 PolarHBondContact O-OG 3.02Å
62	V	92.2	Very high	87.1	Confident	75 Å²	75	87.3 Å²	87.3	46%	0.455	49%	0.489	S	S	.	.	H	α-helix	trans	-66.2	-44	174.5	168.3	0	0	0	0	110.6	L58 S59 V60 S65 F66	L58-V62 WeakPolarHBondContact O-CB 3.16Å; L58-V62 VanDerWaalsContact O-CG2 3.24Å; L58-V62 WeakPolarHBondContact O-CG2 3.41Å; L58-V62 PolarHBondContact O-N 2.89Å; S59-V62 PolarHBondContact O-N 2.9Å; V60-V62 VanDerWaalsContact C-N 3.35Å; V60-V62 PolarHBondContact O-N 3.21Å; V62-S65 WeakPolarHBondContact O-CB 3.41Å; V62-S65 PolarHBondContact O-N 3.16Å; V62-F66 HydrophobicContact CG1-CD2 3.59Å; V62-F66 HydrophobicContact CG1-CE2 3.38Å; V62-F66 WeakPolarHBondContact O-CD2 3.23Å; V62-F66 PolarHBondContact O-N 3.09Å
63	F	92.4	Very high	86.8	Confident	132 Å²	132	90.4 Å²	90.4	58%	0.579	50%	0.496	S	S	*	.	H	α-helix	trans	-61.9	-44.5	176	-176.1	-108.2	0	0	0	112.2	S59 V60 S65 F66 I67	S59-F63 VanDerWaalsContact O-CB 3.3Å; S59-F63 WeakPolarHBondContact O-CB 3.44Å; S59-F63 PolarHBondContact O-N 3.24Å; V60-F63 PolarHBondContact O-N 3.42Å; F63-S65 VanDerWaalsContact C-N 3.3Å; F63-S65 PolarHBondContact O-N 3.16Å; F63-F66 PolarHBondContact O-N 3.09Å; F63-I67 HydrophobicContact CD1-CD1 3.71Å; F63-I67 HydrophobicContact CE1-CD1 3.25Å; F63-I67 HydrophobicContact CE1-CG1 4.34Å; F63-I67 HydrophobicContact CE2-CD1 4.26Å; F63-I67 HydrophobicContact CG-CD1 4.39Å; F63-I67 HydrophobicContact CZ-CD1 3.57Å; F63-I67 HydrophobicContact CZ-CG1 4.36Å; F63-I67 WeakPolarHBondContact O-CG1 3.39Å; F63-I67 PolarHBondContact O-N 3.24Å
64	I	91.1	Very high	86.1	Confident	94 Å²	94	89 Å²	89	48%	0.482	50%	0.495	S	S	.	.	H	α-helix	trans	-61.9	-39.7	173.5	-68.6	167.7	0	0	0	110.7	V60 I67 S68	V60-I64 HydrophobicContact CG1-CD1 3.73Å; V60-I64 HydrophobicContact CG1-CG1 4.36Å; V60-I64 WeakPolarHBondContact O-CB 3.34Å; V60-I64 VanDerWaalsContact O-CG1 3.25Å; V60-I64 WeakPolarHBondContact O-CG1 3.46Å; V60-I64 PolarHBondContact O-N 3.44Å; I64-I67 PolarHBondContact O-N 3.49Å; I64-S68 VanDerWaalsContact O-CB 3.28Å; I64-S68 WeakPolarHBondContact O-CB 3.37Å; I64-S68 PolarHBondContact O-N 2.8Å; I64-S68 PolarHBondContact O-OG 3.49Å
65	S	88.9	Confident	85.1	Confident	74 Å²	74	89.7 Å²	89.7	52%	0.517	50%	0.496	S	S	.	.	H	α-helix	trans	-65.3	-41.2	177	-60	0	0	0	0	111.9	A61 V62 F63 S68 A69	A61-S65 WeakPolarHBondContact O-CB 3.47Å; A61-S65 PolarHBondContact O-N 2.64Å; A61-S65 PolarHBondContact O-OG 3.02Å; V62-S65 WeakPolarHBondContact O-CB 3.41Å; V62-S65 PolarHBondContact O-N 3.16Å; F63-S65 VanDerWaalsContact C-N 3.3Å; F63-S65 PolarHBondContact O-N 3.16Å; S65-S68 PolarHBondContact O-N 3.47Å; S65-A69 VanDerWaalsContact O-CB 3.26Å; S65-A69 WeakPolarHBondContact O-CB 3.12Å; S65-A69 PolarHBondContact O-N 3.29Å
66	F	89.9	Confident	83.9	Confident	153 Å²	153	88.6 Å²	88.6	67%	0.671	49%	0.494	S	S	*	.	H	α-helix	trans	-65.7	-42.5	174.5	-82.5	-63.8	0	0	0	112.6	V62 F63 A69 G70	V62-F66 HydrophobicContact CG1-CD2 3.59Å; V62-F66 HydrophobicContact CG1-CE2 3.38Å; V62-F66 WeakPolarHBondContact O-CD2 3.23Å; V62-F66 PolarHBondContact O-N 3.09Å; F63-F66 PolarHBondContact O-N 3.09Å; F66-A69 PolarHBondContact O-N 3.4Å; F66-G70 PolarHBondContact O-N 2.86Å
67	I	88	Confident	83	Confident	88 Å²	88	90.3 Å²	90.3	45%	0.451	50%	0.495	S	S	.	.	H	α-helix	trans	-62.1	-47.2	174.3	-70.7	174.8	0	0	0	110.1	F63 I64 A69 G70 V71	F63-I67 HydrophobicContact CD1-CD1 3.71Å; F63-I67 HydrophobicContact CE1-CD1 3.25Å; F63-I67 HydrophobicContact CE1-CG1 4.34Å; F63-I67 HydrophobicContact CE2-CD1 4.26Å; F63-I67 HydrophobicContact CG-CD1 4.39Å; F63-I67 HydrophobicContact CZ-CD1 3.57Å; F63-I67 HydrophobicContact CZ-CG1 4.36Å; F63-I67 WeakPolarHBondContact O-CG1 3.39Å; F63-I67 PolarHBondContact O-N 3.24Å; I64-I67 PolarHBondContact O-N 3.49Å; I67-A69 PolarHBondContact O-N 3.09Å; I67-G70 PolarHBondContact O-N 3.07Å; I67-V71 HydrophobicContact CG2-CG2 4.41Å; I67-V71 WeakPolarHBondContact O-CG2 3.47Å; I67-V71 PolarHBondContact O-N 3.37Å
68	S	81.7	Confident	82.2	Confident	48 Å²	48	88.6 Å²	88.6	34%	0.336	49%	0.489	S	S	.	.	H	α-helix	trans	-60.3	-46.6	179	-57.2	0	0	0	0	110.6	I64 S65 G70 V71 F72	I64-S68 VanDerWaalsContact O-CB 3.28Å; I64-S68 WeakPolarHBondContact O-CB 3.37Å; I64-S68 PolarHBondContact O-N 2.8Å; I64-S68 PolarHBondContact O-OG 3.49Å; S65-S68 PolarHBondContact O-N 3.47Å; S68-G70 VanDerWaalsContact C-N 3.33Å; S68-G70 PolarHBondContact O-N 2.97Å; S68-V71 PolarHBondContact O-N 3.12Å; S68-F72 WeakPolarHBondContact O-CB 3.36Å; S68-F72 WeakPolarHBondContact O-CD2 3.27Å; S68-F72 PolarHBondContact O-N 2.8Å
69	A	82.3	Confident	82	Confident	56 Å²	56	85.3 Å²	85.3	46%	0.463	48%	0.481	S	S	.	.	H	α-helix	trans	-60.8	-39.6	175.5	0	0	0	0	0	112.3	S65 F66 I67 F72 Y73	S65-A69 VanDerWaalsContact O-CB 3.26Å; S65-A69 WeakPolarHBondContact O-CB 3.12Å; S65-A69 PolarHBondContact O-N 3.29Å; F66-A69 PolarHBondContact O-N 3.4Å; I67-A69 PolarHBondContact O-N 3.09Å; A69-F72 PolarHBondContact O-N 3.16Å; A69-Y73 WeakPolarHBondContact O-CB 3.44Å; A69-Y73 PolarHBondContact O-N 3.48Å
70	G	79.6	Confident	82.2	Confident	32 Å²	32	87 Å²	87	33%	0.33	48%	0.484	S	S	.	.	H	α-helix	trans	-65.3	-40.6	175	0	0	0	0	0	113.2	F66 I67 S68 Y73 N74	F66-G70 PolarHBondContact O-N 2.86Å; I67-G70 PolarHBondContact O-N 3.07Å; S68-G70 VanDerWaalsContact C-N 3.33Å; S68-G70 PolarHBondContact O-N 2.97Å; G70-Y73 PolarHBondContact O-N 3.48Å; G70-N74 PolarHBondContact O-N 2.84Å
71	V	77.4	Confident	82.3	Confident	74 Å²	74	84.8 Å²	84.8	45%	0.448	47%	0.472	S	S	.	.	H	α-helix	trans	-65.5	-46.8	174.6	172.6	0	0	0	0	110.7	I67 S68 Y73 N74 Q75	I67-V71 HydrophobicContact CG2-CG2 4.41Å; I67-V71 WeakPolarHBondContact O-CG2 3.47Å; I67-V71 PolarHBondContact O-N 3.37Å; S68-V71 PolarHBondContact O-N 3.12Å; V71-Y73 VanDerWaalsContact C-N 3.33Å; V71-Y73 PolarHBondContact O-N 3.37Å; V71-N74 PolarHBondContact O-N 2.83Å; V71-Q75 WeakPolarHBondContact O-CB 3.45Å; V71-Q75 WeakPolarHBondContact O-CG 3.42Å; V71-Q75 PolarHBondContact O-N 3.27Å
72	F	75.4	Confident	82.5	Confident	145 Å²	145	88.3 Å²	88.3	64%	0.636	48%	0.483	S	S	*	.	H	α-helix	trans	-62.4	-39.2	175.8	-80	-64.2	0	0	0	112.1	S68 A69 Q75 A76	S68-F72 WeakPolarHBondContact O-CB 3.36Å; S68-F72 WeakPolarHBondContact O-CD2 3.27Å; S68-F72 PolarHBondContact O-N 2.8Å; A69-F72 PolarHBondContact O-N 3.16Å; F72-Q75 PolarHBondContact O-N 2.91Å; F72-A76 WeakPolarHBondContact O-CB 3.34Å; F72-A76 PolarHBondContact O-N 2.97Å
73	Y	76.6	Confident	82.6	Confident	147 Å²	147	87.2 Å²	87.2	58%	0.576	48%	0.479	S	S	*	.	H	α-helix	trans	-63.4	-47.1	177.1	-176.8	-92.6	0	0	0	111.7	A69 G70 V71 A76 H77	A69-Y73 WeakPolarHBondContact O-CB 3.44Å; A69-Y73 PolarHBondContact O-N 3.48Å; G70-Y73 PolarHBondContact O-N 3.48Å; V71-Y73 VanDerWaalsContact C-N 3.33Å; V71-Y73 PolarHBondContact O-N 3.37Å; Y73-A76 PolarHBondContact O-N 3.5Å; Y73-H77 AromaticContact CE2-ND1 3.97Å; Y73-H77 WeakPolarHBondContact O-CB 3.44Å; Y73-H77 PolarHBondContact O-N 2.86Å; Y73-H77 PolarHBondContact O-ND1 2.95Å
74	N	71.8	Confident	82.7	Confident	113 Å²	113	88.6 Å²	88.6	60%	0.604	49%	0.487	S	S	*	.	H	α-helix	trans	-66.6	-36.6	177.4	-80.3	-8.9	0	0	0	112.7	G70 V71 A76 H77	G70-N74 PolarHBondContact O-N 2.84Å; V71-N74 PolarHBondContact O-N 2.83Å; N74-A76 VanDerWaalsContact C-N 3.34Å; N74-H77 CarbonylContact O-C 3.59Å; N74-H77 PolarHBondContact O-N 3.22Å
75	Q	66.6	Low	82.9	Confident	112 Å²	112	86 Å²	86	52%	0.523	48%	0.477	S	S	.	.	H	α-helix	trans	-67.7	-32.8	174.6	-78.1	-179.9	-16.2	0	0	112.9	V71 F72	V71-Q75 WeakPolarHBondContact O-CB 3.45Å; V71-Q75 WeakPolarHBondContact O-CG 3.42Å; V71-Q75 PolarHBondContact O-N 3.27Å; F72-Q75 PolarHBondContact O-N 2.91Å
76	A	64.6	Low	83.2	Confident	51 Å²	51	82.8 Å²	82.8	42%	0.421	45%	0.454	S	S	.	.	H	α-helix	trans	-82.7	-20.7	176.4	0	0	0	0	0	113.2	F72 Y73 N74	F72-A76 WeakPolarHBondContact O-CB 3.34Å; F72-A76 PolarHBondContact O-N 2.97Å; Y73-A76 PolarHBondContact O-N 3.5Å; N74-A76 VanDerWaalsContact C-N 3.34Å
77	H	70.4	Confident	83.5	Confident	112 Å²	112	79.7 Å²	79.7	52%	0.519	44%	0.443	S	S	.	.			trans	-133.3	69.6	-176.9	-56.6	85.9	0	0	0	111.5	Y73 N74 G79	Y73-H77 AromaticContact CE2-ND1 3.97Å; Y73-H77 WeakPolarHBondContact O-CB 3.44Å; Y73-H77 PolarHBondContact O-N 2.86Å; Y73-H77 PolarHBondContact O-ND1 2.95Å; N74-H77 CarbonylContact O-C 3.59Å; N74-H77 PolarHBondContact O-N 3.22Å; H77-G79 PolarHBondContact O-N 3.07Å
78	P	75.9	Confident	83.8	Confident	55 Å²	55	79.2 Å²	79.2	36%	0.357	45%	0.445	S	S	.	.			trans	-66.1	1.6	-178.3	27.1	-37.5	0	0	0	115.1	E673 E674 A675	P78-E673 HydrophobicContact CG-CB 4.08Å; P78-E673 WeakPolarHBondContact CG-O 3.24Å; P78-E674 WeakPolarHBondContact CG-O 3.4Å; P78-A675 HydrophobicContact CB-CB 4.38Å
79	G	86.9	Confident	84.5	Confident	39 Å²	39	77.2 Å²	77.2	40%	0.402	43%	0.43	S	S	.	.			trans	81.6	-149.4	178.2	0	0	0	0	0	113.7	H77 T676	H77-G79 PolarHBondContact O-N 3.07Å; G79-T676 PolarHBondContact O-N 2.98Å; G79-T676 PolarHBondContact O-OG1 3.44Å; G79-T676 VanDerWaalsContact O-OG1 3.06Å
80	L	92.4	Very high	85.2	Confident	105 Å²	105	74.8 Å²	74.8	55%	0.55	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-103.3	138	-177.4	-64.4	177.3	0	0	0	111.5	L82 T676	L80-L82 HydrophobicContact CB-CD2 4.2Å; L80-L82 HydrophobicContact CB-CG 4.38Å; L80-L82 PolarHBondContact O-N 2.6Å; L80-T676 CarbonylContact C-O 3.54Å; L80-T676 WeakPolarHBondContact CA-O 3.3Å
81	C	93.8	Very high	86	Confident	27 Å²	27	76.7 Å²	76.7	18%	0.182	42%	0.419	C	S	.	.			trans	-83.3	111	170	-173.3	0	0	0	0	110.6	S83 C86 A675 T676 P678	C81-S83 PolarHBondContact SG-OG 2.96Å; C81-S83 VanDerWaalsContact SG-OG 3.41Å; C81-C86 HydrophobicContact CB-CB 3.63Å; C81-C86 WeakPolarHBondContact CB-SG 3.15Å; C81-C86 WeakPolarHBondContact O-CB 3.18Å; C81-C86 WeakPolarHBondContact SG-CB 3.32Å; C81-C86 CovalentContact SG-SG 2.03Å; C81-C86 PolarHBondContact SG-SG 3.41Å; C81-A675 HydrophobicContact CB-CB 3.94Å; C81-T676 PolarHBondContact N-O 3.31Å; C81-P678 VanDerWaalsContact O-CD 3.26Å; C81-P678 WeakPolarHBondContact O-CD 2.96Å
82	L	94.3	Very high	86.8	Confident	122 Å²	122	77 Å²	77	64%	0.639	42%	0.424	S	S	*	.			trans	-108	15.7	-178.1	-58.3	179.5	0	0	0	113.4	L80 I87 P678	L80-L82 HydrophobicContact CB-CD2 4.2Å; L80-L82 HydrophobicContact CB-CG 4.38Å; L80-L82 PolarHBondContact O-N 2.6Å; L82-I87 WeakPolarHBondContact O-CD1 3.42Å; L82-P678 HydrophobicContact CD2-CB 4.23Å; L82-P678 HydrophobicContact CD2-CG 4.36Å
83	S	94.9	Very high	87.9	Confident	52 Å²	52	70.2 Å²	70.2	36%	0.364	40%	0.395	S	S	.	.	S	Bend	trans	-67.8	152.8	172.5	71.4	0	0	0	0	110.8	C81 C86 I87	C81-S83 PolarHBondContact SG-OG 2.96Å; C81-S83 VanDerWaalsContact SG-OG 3.41Å; S83-C86 WeakPolarHBondContact O-CB 3.4Å; S83-C86 PolarHBondContact O-N 3.46Å; S83-C86 WeakPolarHBondContact OG-CB 3.39Å; S83-C86 PolarHBondContact OG-N 3.35Å; S83-C86 PolarHBondContact OG-SG 3.06Å; S83-C86 VanDerWaalsContact OG-SG 3.33Å; S83-I87 WeakPolarHBondContact O-CG1 3.23Å; S83-I87 PolarHBondContact O-N 2.69Å
84	E	95.3	Very high	88.8	Confident	161 Å²	161	67.2 Å²	67.2	75%	0.752	39%	0.387	S	S	*	.	H	α-helix	trans	-53.7	-43.7	178.1	175.8	-173.5	178.7	0	0	113.1	C86 I87 T88	E84-C86 VanDerWaalsContact C-N 3.35Å; E84-C86 PolarHBondContact O-N 3.12Å; E84-I87 PolarHBondContact O-N 3.21Å; E84-T88 WeakPolarHBondContact O-CB 3.5Å; E84-T88 PolarHBondContact O-N 3.34Å; E84-T88 PolarHBondContact O-OG1 3.48Å
85	P	93.8	Very high	90	Very high	41 Å²	41	63.8 Å²	63.8	27%	0.266	38%	0.378	S	S	.	.	H	α-helix	trans	-59.9	-41	173.8	-26	36.1	0	0	0	113.3	T88 V89	P85-T88 PolarHBondContact O-N 2.67Å; P85-V89 WeakPolarHBondContact O-CB 3.25Å; P85-V89 VanDerWaalsContact O-CG1 3.31Å; P85-V89 WeakPolarHBondContact O-CG1 3.41Å; P85-V89 PolarHBondContact O-N 2.8Å
86	C	95.1	Very high	91.5	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.034	36%	0.355	C	S	.	.	H	α-helix	trans	-65.3	-41.5	177.7	-77.1	0	0	0	0	112.2	C81 S83 E84 V89 A90 L677	C81-C86 HydrophobicContact CB-CB 3.63Å; C81-C86 WeakPolarHBondContact CB-SG 3.15Å; C81-C86 WeakPolarHBondContact O-CB 3.18Å; C81-C86 WeakPolarHBondContact SG-CB 3.32Å; C81-C86 CovalentContact SG-SG 2.03Å; C81-C86 PolarHBondContact SG-SG 3.41Å; S83-C86 WeakPolarHBondContact O-CB 3.4Å; S83-C86 PolarHBondContact O-N 3.46Å; S83-C86 WeakPolarHBondContact OG-CB 3.39Å; S83-C86 PolarHBondContact OG-N 3.35Å; S83-C86 PolarHBondContact OG-SG 3.06Å; S83-C86 VanDerWaalsContact OG-SG 3.33Å; E84-C86 VanDerWaalsContact C-N 3.35Å; E84-C86 PolarHBondContact O-N 3.12Å; C86-V89 WeakPolarHBondContact O-CG1 3.45Å; C86-A90 WeakPolarHBondContact O-CB 3.41Å; C86-A90 PolarHBondContact O-N 3.48Å; C86-L677 HydrophobicContact CB-CD2 3.7Å
87	I	95.9	Very high	93.1	Very high	88 Å²	88	56.9 Å²	56.9	45%	0.451	34%	0.338	S	S	.	.	H	α-helix	trans	-66.4	-44.2	177.5	-65.3	168.6	0	0	0	110.5	L82 S83 E84 A90 S91 P678	L82-I87 WeakPolarHBondContact O-CD1 3.42Å; S83-I87 WeakPolarHBondContact O-CG1 3.23Å; S83-I87 PolarHBondContact O-N 2.69Å; E84-I87 PolarHBondContact O-N 3.21Å; I87-A90 PolarHBondContact O-N 3.3Å; I87-S91 WeakPolarHBondContact O-CB 3.3Å; I87-S91 PolarHBondContact O-N 3.06Å; I87-P678 HydrophobicContact CG1-CG 4.49Å
88	T	95.8	Very high	94.4	Very high	79 Å²	79	54 Å²	54	49%	0.485	33%	0.327	S	S	.	.	H	α-helix	trans	-61.5	-50.4	179.6	-58	0	0	0	0	111	E84 P85 A90 S91 S92	E84-T88 WeakPolarHBondContact O-CB 3.5Å; E84-T88 PolarHBondContact O-N 3.34Å; E84-T88 PolarHBondContact O-OG1 3.48Å; P85-T88 PolarHBondContact O-N 2.67Å; T88-A90 PolarHBondContact O-N 3.33Å; T88-S91 WeakPolarHBondContact O-CB 3.29Å; T88-S91 PolarHBondContact O-N 3.43Å; T88-S92 PolarHBondContact O-N 3.38Å; T88-S92 PolarHBondContact O-OG 3.33Å
89	V	95.9	Very high	95.4	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.03	33%	0.333	C	S	.	.	H	α-helix	trans	-68.6	-35.9	-179.4	75.9	0	0	0	0	111.9	P85 C86 S91 S92 V93 W574 L578 L677	P85-V89 WeakPolarHBondContact O-CB 3.25Å; P85-V89 VanDerWaalsContact O-CG1 3.31Å; P85-V89 WeakPolarHBondContact O-CG1 3.41Å; P85-V89 PolarHBondContact O-N 2.8Å; C86-V89 WeakPolarHBondContact O-CG1 3.45Å; V89-S91 VanDerWaalsContact C-N 3.32Å; V89-S91 PolarHBondContact O-N 3.06Å; V89-S92 PolarHBondContact O-N 3.36Å; V89-V93 HydrophobicContact CG2-CG2 4.36Å; V89-V93 WeakPolarHBondContact O-CB 3.43Å; V89-V93 VanDerWaalsContact O-CG2 3.28Å; V89-V93 WeakPolarHBondContact O-CG2 3.34Å; V89-V93 PolarHBondContact O-N 3.46Å; V89-W574 HydrophobicContact CB-CD2 4.43Å; V89-W574 HydrophobicContact CB-CZ2 4.37Å; V89-W574 HydrophobicContact CG2-CD2 3.85Å; V89-W574 HydrophobicContact CG2-CE3 4.15Å; V89-W574 HydrophobicContact CG2-CG 4.36Å; V89-W574 HydrophobicContact CG2-CH2 4.06Å; V89-W574 HydrophobicContact CG2-CZ2 3.82Å; V89-W574 HydrophobicContact CG2-CZ3 4.24Å; V89-L578 HydrophobicContact CG1-CD1 4.22Å; V89-L578 HydrophobicContact CG2-CD1 3.46Å; V89-L578 VanDerWaalsContact CG2-CD1 3.46Å; V89-L677 HydrophobicContact CG1-CD1 3.82Å; V89-L677 HydrophobicContact CG1-CD2 3.98Å
90	A	96.8	Very high	95.9	Very high	6 Å²	6	60.9 Å²	60.9	5%	0.05	35%	0.349	C	S	.	.	H	α-helix	trans	-60.8	-41.8	173.9	0	0	0	0	0	111.7	C86 I87 T88 M94 L677 P678 L680	C86-A90 WeakPolarHBondContact O-CB 3.41Å; C86-A90 PolarHBondContact O-N 3.48Å; I87-A90 PolarHBondContact O-N 3.3Å; T88-A90 PolarHBondContact O-N 3.33Å; A90-M94 WeakPolarHBondContact O-CB 3.42Å; A90-M94 PolarHBondContact O-N 3.36Å; A90-L677 HydrophobicContact CB-CB 4.15Å; A90-L677 HydrophobicContact CB-CD1 4.34Å; A90-P678 HydrophobicContact CB-CG 4.29Å; A90-L680 HydrophobicContact CB-CG 4.49Å
91	S	96.1	Very high	96.2	Very high	72 Å²	72	57.4 Å²	57.4	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-46.6	175.1	-173	0	0	0	0	111.9	I87 T88 V89 M94 G95	I87-S91 WeakPolarHBondContact O-CB 3.3Å; I87-S91 PolarHBondContact O-N 3.06Å; T88-S91 WeakPolarHBondContact O-CB 3.29Å; T88-S91 PolarHBondContact O-N 3.43Å; V89-S91 VanDerWaalsContact C-N 3.32Å; V89-S91 PolarHBondContact O-N 3.06Å; S91-M94 PolarHBondContact O-N 3.32Å; S91-G95 PolarHBondContact O-N 3.36Å
92	S	95.3	Very high	96.4	Very high	79 Å²	79	60.5 Å²	60.5	55%	0.552	35%	0.347	S	S	*	.	H	α-helix	trans	-61.6	-47.2	177	-62.2	0	0	0	0	112.5	T88 V89 M94 G95 A96	T88-S92 PolarHBondContact O-N 3.38Å; T88-S92 PolarHBondContact O-OG 3.33Å; V89-S92 PolarHBondContact O-N 3.36Å; S92-M94 VanDerWaalsContact C-N 3.34Å; S92-M94 PolarHBondContact O-N 3.33Å; S92-G95 PolarHBondContact O-N 3.22Å; S92-A96 PolarHBondContact O-N 2.61Å
93	V	97.4	Very high	96.6	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.024	32%	0.324	C	S	.	.	H	α-helix	trans	-59.7	-47.6	176.6	171	0	0	0	0	109.9	V89 G95 A96 L97 L680 L687 V690 Q694	V89-V93 HydrophobicContact CG2-CG2 4.36Å; V89-V93 WeakPolarHBondContact O-CB 3.43Å; V89-V93 VanDerWaalsContact O-CG2 3.28Å; V89-V93 WeakPolarHBondContact O-CG2 3.34Å; V89-V93 PolarHBondContact O-N 3.46Å; V93-G95 PolarHBondContact O-N 3.06Å; V93-A96 PolarHBondContact O-N 3.33Å; V93-L97 HydrophobicContact CG1-CD1 4.48Å; V93-L97 WeakPolarHBondContact O-CG 3.48Å; V93-L97 PolarHBondContact O-N 3.46Å; V93-L680 HydrophobicContact CB-CD1 4.29Å; V93-L680 HydrophobicContact CB-CD2 4.32Å; V93-L680 HydrophobicContact CG1-CD1 3.88Å; V93-L680 HydrophobicContact CG1-CD2 4Å; V93-L687 HydrophobicContact CG1-CD1 4.28Å; V93-L687 HydrophobicContact CG2-CD1 4.5Å; V93-V690 HydrophobicContact CG1-CG1 3.8Å; V93-Q694 PolarHBondContact O-NE2 3.42Å
94	M	96.3	Very high	96.8	Very high	84 Å²	84	53.8 Å²	53.8	41%	0.414	31%	0.31	S	S	.	.	H	α-helix	trans	-61.4	-41.4	179.9	-175.9	173.3	62.4	0	0	112.8	A90 S91 S92 A96 L97 A679 L680	A90-M94 WeakPolarHBondContact O-CB 3.42Å; A90-M94 PolarHBondContact O-N 3.36Å; S91-M94 PolarHBondContact O-N 3.32Å; S92-M94 VanDerWaalsContact C-N 3.34Å; S92-M94 PolarHBondContact O-N 3.33Å; M94-A96 PolarHBondContact O-N 2.86Å; M94-L97 PolarHBondContact O-N 3.04Å; M94-A679 HydrophobicContact SD-CB 4.49Å; M94-L680 HydrophobicContact CB-CD2 3.84Å
95	G	96.4	Very high	96.9	Very high	40 Å²	40	51.9 Å²	51.9	41%	0.412	30%	0.3	S	S	.	.	H	α-helix	trans	-68.1	-21.2	178.1	0	0	0	0	0	114	S91 S92 V93 G114 N118	S91-G95 PolarHBondContact O-N 3.36Å; S92-G95 PolarHBondContact O-N 3.22Å; V93-G95 PolarHBondContact O-N 3.06Å; G95-G114 CarbonylContact O-C 3.37Å; G95-N118 PolarHBondContact O-ND2 3.01Å
96	A	97.7	Very high	97.1	Very high	5 Å²	5	50.7 Å²	50.7	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-85.3	-28.5	176.3	0	0	0	0	0	113.5	S92 V93 M94 A111 C112 G114 W115 Q694	S92-A96 PolarHBondContact O-N 2.61Å; V93-A96 PolarHBondContact O-N 3.33Å; M94-A96 PolarHBondContact O-N 2.86Å; A96-A111 CarbonylContact C-O 3.29Å; A96-C112 CarbonylContact O-C 3.48Å; A96-C112 VanDerWaalsContact O-C 3.29Å; A96-C112 WeakPolarHBondContact O-CA 3.47Å; A96-G114 CarbonylContact O-C 3.38Å; A96-G114 VanDerWaalsContact O-CA 3.29Å; A96-G114 WeakPolarHBondContact O-CA 3.41Å; A96-G114 PolarHBondContact O-N 3.46Å; A96-W115 HydrophobicContact CB-CB 3.81Å; A96-W115 PolarHBondContact O-N 3.33Å; A96-Q694 HydrophobicContact CB-CG 4.34Å; A96-Q694 VanDerWaalsContact CB-NE2 3.32Å
97	L	98.3	Very high	97.3	Very high	14 Å²	14	50.5 Å²	50.5	7%	0.073	29%	0.291	C	S	.	.			trans	-66.3	145.6	-179.8	-68.3	173.9	0	0	0	112.8	V93 M94 F110 M682 V690	V93-L97 HydrophobicContact CG1-CD1 4.48Å; V93-L97 WeakPolarHBondContact O-CG 3.48Å; V93-L97 PolarHBondContact O-N 3.46Å; M94-L97 PolarHBondContact O-N 3.04Å; L97-F110 CarbonylContact C-O 3.57Å; L97-F110 WeakPolarHBondContact CA-O 3.41Å; L97-F110 HydrophobicContact CD2-CD1 4.33Å; L97-F110 HydrophobicContact CD2-CE1 4.02Å; L97-F110 HydrophobicContact CD2-CZ 4.35Å; L97-F110 WeakPolarHBondContact CD2-O 3.31Å; L97-M682 HydrophobicContact CD1-CE 3.51Å; L97-M682 HydrophobicContact CD1-SD 4.49Å; L97-M682 HydrophobicContact CD2-CE 4.22Å; L97-V690 HydrophobicContact CD2-CG1 3.99Å; L97-V690 HydrophobicContact CD2-CG2 4.45Å
98	D	98.3	Very high	97.4	Very high	52 Å²	52	46.9 Å²	46.9	28%	0.278	27%	0.271	S	S	.	.			trans	-115.3	98.4	159.8	-173.4	-9.6	0	0	0	109.8	S100 V101 N109 F110	D98-S100 PolarHBondContact O-N 2.89Å; D98-S100 WeakPolarHBondContact OD1-CB 3.48Å; D98-S100 PolarHBondContact OD1-N 3.32Å; D98-S100 PolarHBondContact OD1-OG 3.35Å; D98-S100 PolarHBondContact OD2-OG 3.44Å; D98-V101 HydrophobicContact CB-CG2 4.35Å; D98-V101 PolarHBondContact O-N 2.9Å; D98-N109 WeakPolarHBondContact CB-O 3.33Å; D98-F110 PolarHBondContact N-O 2.94Å
99	R	96.3	Very high	97.6	Very high	132 Å²	132	45.7 Å²	45.7	50%	0.498	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-6.1	-178.4	-64.5	-176.5	-178.7	-98.3	0.7	113.9	L680	R99-L680 PolarHBondContact NH1-O 3.12Å; R99-L680 VanDerWaalsContact NH1-O 3.16Å; R99-L680 PolarHBondContact NH2-O 2.93Å
100	S	97.8	Very high	97.7	Very high	105 Å²	105	46.1 Å²	46.1	73%	0.734	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.7	173.9	74.2	0	0	0	0	112.7	D98	D98-S100 PolarHBondContact O-N 2.89Å; D98-S100 WeakPolarHBondContact OD1-CB 3.48Å; D98-S100 PolarHBondContact OD1-N 3.32Å; D98-S100 PolarHBondContact OD1-OG 3.35Å; D98-S100 PolarHBondContact OD2-OG 3.44Å
101	V	98.5	Very high	97.8	Very high	33 Å²	33	45.9 Å²	45.9	20%	0.2	26%	0.261	C	S	.	.	S	Bend	trans	-96.7	134.5	-179.9	-178.5	0	0	0	0	110.1	D98 P103 D106 N109 F110	D98-V101 HydrophobicContact CB-CG2 4.35Å; D98-V101 PolarHBondContact O-N 2.9Å; V101-P103 WeakPolarHBondContact O-CD 3.39Å; V101-D106 HydrophobicContact CG1-CB 3.94Å; V101-D106 WeakPolarHBondContact CG1-O 3.48Å; V101-N109 HydrophobicContact CG1-CB 4.13Å; V101-N109 HydrophobicContact CG2-CB 4.2Å; V101-F110 HydrophobicContact CB-CB 4.35Å; V101-F110 HydrophobicContact CG1-CB 4.32Å; V101-F110 VanDerWaalsContact O-CD2 3.28Å; V101-F110 WeakPolarHBondContact O-CD2 3.48Å
102	D	98.3	Very high	97.9	Very high	92 Å²	92	42.4 Å²	42.4	49%	0.492	24%	0.237	S	C	.	.			trans	-70.9	120.7	172.7	176.5	3.3	0	0	0	110.2	C104 H105 D106	D102-C104 PolarHBondContact O-N 3.09Å; D102-C104 VanDerWaalsContact O-N 3.12Å; D102-C104 WeakPolarHBondContact OD1-CB 3.39Å; D102-C104 PolarHBondContact OD1-N 3.02Å; D102-H105 HydrophobicContact CB-CB 3.98Å; D102-H105 PolarHBondContact O-N 3.3Å; D102-D106 PolarHBondContact O-N 2.85Å
103	P	98.3	Very high	98.1	Very high	23 Å²	23	39.2 Å²	39.2	15%	0.149	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.9	177.9	24.5	-34.8	0	0	0	113.6	V101 F107 F110 F735 M743	V101-P103 WeakPolarHBondContact O-CD 3.39Å; P103-F107 HydrophobicContact CB-CD2 3.76Å; P103-F107 HydrophobicContact CB-CE2 4.2Å; P103-F107 WeakPolarHBondContact O-CB 3.32Å; P103-F110 HydrophobicContact CB-CB 4.31Å; P103-F110 HydrophobicContact CB-CD1 3.79Å; P103-F110 HydrophobicContact CB-CD2 4.15Å; P103-F110 HydrophobicContact CB-CE1 4.05Å; P103-F110 HydrophobicContact CB-CE2 4.38Å; P103-F110 HydrophobicContact CB-CG 3.81Å; P103-F110 HydrophobicContact CB-CZ 4.3Å; P103-F110 HydrophobicContact CG-CD2 4.4Å; P103-F110 HydrophobicContact CG-CE2 4.32Å; P103-F110 HydrophobicContact CG-CZ 4.41Å; P103-F735 HydrophobicContact CB-CD1 3.66Å; P103-F735 HydrophobicContact CB-CE1 4.07Å; P103-F735 HydrophobicContact CB-CG 4.45Å; P103-F735 HydrophobicContact CG-CD1 3.76Å; P103-F735 HydrophobicContact CG-CE1 4.4Å; P103-M743 WeakPolarHBondContact O-CG 3.48Å
104	C	98.6	Very high	98.1	Very high	9 Å²	9	39.5 Å²	39.5	6%	0.061	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.3	177.2	-63.4	0	0	0	0	113.6	D102 C737 A741 M743	D102-C104 PolarHBondContact O-N 3.09Å; D102-C104 VanDerWaalsContact O-N 3.12Å; D102-C104 WeakPolarHBondContact OD1-CB 3.39Å; D102-C104 PolarHBondContact OD1-N 3.02Å; C104-C737 VanDerWaalsContact CA-SG 3.51Å; C104-C737 HydrophobicContact CB-CB 3.69Å; C104-C737 WeakPolarHBondContact CB-SG 3.39Å; C104-C737 WeakPolarHBondContact SG-CA 3.4Å; C104-C737 WeakPolarHBondContact SG-CB 3.49Å; C104-C737 CovalentContact SG-SG 2.04Å; C104-C737 PolarHBondContact SG-SG 3.41Å; C104-A741 HydrophobicContact CB-CB 4.3Å; C104-M743 WeakPolarHBondContact O-CB 3.43Å; C104-M743 WeakPolarHBondContact O-CG 3.46Å; C104-M743 PolarHBondContact O-N 2.91Å
105	H	98.4	Very high	98.2	Very high	121 Å²	121	37.4 Å²	37.4	56%	0.56	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-47	174.8	-172.2	79.2	0	0	0	111.9	D102 P742	D102-H105 HydrophobicContact CB-CB 3.98Å; D102-H105 PolarHBondContact O-N 3.3Å; H105-P742 WeakPolarHBondContact O-CB 3.27Å
106	D	98.4	Very high	98.2	Very high	17 Å²	17	37.9 Å²	37.9	9%	0.091	20%	0.203	C	C	.	.			trans	-151.1	86.3	-177.8	-176.4	-12.5	0	0	0	110.4	V101 D102 Y108 N109 F110 R718	V101-D106 HydrophobicContact CG1-CB 3.94Å; V101-D106 WeakPolarHBondContact CG1-O 3.48Å; D102-D106 PolarHBondContact O-N 2.85Å; D106-Y108 PolarHBondContact O-N 3.19Å; D106-Y108 PolarHBondContact OD1-N 3.06Å; D106-N109 HydrophobicContact CB-CB 4.43Å; D106-N109 PolarHBondContact O-N 3.16Å; D106-N109 PolarHBondContact OD1-N 2.81Å; D106-N109 WeakPolarHBondContact OD2-CB 3.42Å; D106-N109 PolarHBondContact OD2-ND2 3.05Å; D106-F110 WeakPolarHBondContact O-CB 3.37Å; D106-F110 PolarHBondContact O-N 2.67Å; D106-R718 IonicContact OD1-CZ 3.56Å; D106-R718 IonicContact OD1-NH1 3.86Å; D106-R718 PolarHBondContact OD1-NH1 3.41Å; D106-R718 VanDerWaalsContact OD1-NH1 3.15Å; D106-R718 IonicContact OD1-NH2 2.72Å; D106-R718 PolarHBondContact OD1-NH2 3.43Å; D106-R718 IonicContact OD2-CZ 3.55Å; D106-R718 IonicContact OD2-NH1 3.43Å; D106-R718 PolarHBondContact OD2-NH1 3.33Å; D106-R718 IonicContact OD2-NH2 3.2Å; D106-R718 PolarHBondContact OD2-NH2 2.87Å
107	F	98.8	Very high	98.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.9	-28.7	-176.4	-167.2	-117.2	0	0	0	113	P103 F110 A111 F689 V690 A693 V721 I725 F731 F735 M743	P103-F107 HydrophobicContact CB-CD2 3.76Å; P103-F107 HydrophobicContact CB-CE2 4.2Å; P103-F107 WeakPolarHBondContact O-CB 3.32Å; F107-F110 AromaticContact CD2-CD1 3.83Å; F107-F110 HydrophobicContact CD2-CD1 3.83Å; F107-F110 AromaticContact CE2-CD1 3.65Å; F107-F110 HydrophobicContact CE2-CD1 3.65Å; F107-F110 AromaticContact CE2-CE1 3.96Å; F107-F110 HydrophobicContact CE2-CE1 3.96Å; F107-A111 VanDerWaalsContact O-CB 3.23Å; F107-A111 WeakPolarHBondContact O-CB 3.43Å; F107-A111 PolarHBondContact O-N 3.05Å; F107-F689 HydrophobicContact CE1-CB 4.01Å; F107-F689 WeakPolarHBondContact CE1-O 3.38Å; F107-F689 HydrophobicContact CZ-CB 3.81Å; F107-V690 HydrophobicContact CE2-CG2 4.45Å; F107-V690 HydrophobicContact CZ-CG2 4.06Å; F107-A693 HydrophobicContact CD1-CB 4.06Å; F107-A693 HydrophobicContact CE1-CB 3.69Å; F107-V721 HydrophobicContact CD1-CG1 3.94Å; F107-I725 HydrophobicContact CB-CD1 3.29Å; F107-I725 HydrophobicContact CB-CG1 4.36Å; F107-I725 HydrophobicContact CD1-CD1 3.78Å; F107-I725 HydrophobicContact CD1-CG1 4.2Å; F107-I725 HydrophobicContact CD1-CG2 4.29Å; F107-I725 HydrophobicContact CG-CD1 3.74Å; F107-F731 HydrophobicContact CB-CZ 4.06Å; F107-F731 AromaticContact CD1-CE2 3.9Å; F107-F731 HydrophobicContact CD1-CE2 3.9Å; F107-F731 HydrophobicContact CD1-CZ 4.27Å; F107-F731 AromaticContact CD2-CE2 3.48Å; F107-F731 HydrophobicContact CD2-CE2 3.48Å; F107-F731 VanDerWaalsContact CD2-CE2 3.48Å; F107-F731 AromaticContact CD2-CZ 3.53Å; F107-F731 HydrophobicContact CD2-CZ 3.53Å; F107-F731 AromaticContact CE1-CE2 3.89Å; F107-F731 HydrophobicContact CE1-CE2 3.89Å; F107-F731 AromaticContact CE2-CE2 3.5Å; F107-F731 HydrophobicContact CE2-CE2 3.5Å; F107-F731 HydrophobicContact CE2-CZ 4.03Å; F107-F731 AromaticContact CG-CE2 3.7Å; F107-F731 HydrophobicContact CG-CE2 3.7Å; F107-F731 AromaticContact CG-CZ 3.69Å; F107-F731 HydrophobicContact CG-CZ 3.69Å; F107-F731 HydrophobicContact CZ-CD2 4.5Å; F107-F731 AromaticContact CZ-CE2 3.71Å; F107-F731 HydrophobicContact CZ-CE2 3.71Å; F107-F735 HydrophobicContact CE2-CD1 4.38Å; F107-F735 AromaticContact CE2-CE1 3.73Å; F107-F735 HydrophobicContact CE2-CE1 3.73Å; F107-F735 HydrophobicContact CE2-CE2 4.01Å; F107-F735 AromaticContact CE2-CZ 3.51Å; F107-F735 HydrophobicContact CE2-CZ 3.51Å; F107-F735 HydrophobicContact CZ-CE2 4.18Å; F107-F735 AromaticContact CZ-CZ 3.86Å; F107-F735 HydrophobicContact CZ-CZ 3.86Å; F107-M743 HydrophobicContact CB-CG 4.2Å; F107-M743 HydrophobicContact CB-SD 4.08Å
108	Y	98.8	Very high	98	Very high	12 Å²	12	50.4 Å²	50.4	5%	0.047	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-50.6	176.7	-176.8	-92.1	0	0	0	110.9	D106 F110 A111 C112 W696 A698 R718 V721	D106-Y108 PolarHBondContact O-N 3.19Å; D106-Y108 PolarHBondContact OD1-N 3.06Å; Y108-F110 VanDerWaalsContact C-N 3.34Å; Y108-F110 PolarHBondContact O-N 2.84Å; Y108-A111 PolarHBondContact O-N 3.46Å; Y108-C112 HydrophobicContact CD1-CB 4.4Å; Y108-C112 HydrophobicContact CE1-CB 4.14Å; Y108-C112 HydrophobicContact CE2-CB 4.42Å; Y108-C112 WeakPolarHBondContact O-CA 3.15Å; Y108-C112 VanDerWaalsContact O-CB 3.25Å; Y108-C112 WeakPolarHBondContact O-CB 3.35Å; Y108-C112 PolarHBondContact O-N 3.43Å; Y108-W696 WeakPolarHBondContact CE2-O 3.38Å; Y108-W696 PolarHBondContact OH-O 2.53Å; Y108-A698 PolarHBondContact OH-N 2.84Å; Y108-A698 PolarHBondContact OH-O 3.38Å; Y108-R718 HydrophobicContact CD1-CB 4.16Å; Y108-R718 HydrophobicContact CD1-CG 3.92Å; Y108-R718 HydrophobicContact CD2-CB 4.08Å; Y108-R718 HydrophobicContact CD2-CG 4.26Å; Y108-R718 HydrophobicContact CE1-CB 4.2Å; Y108-R718 HydrophobicContact CE1-CG 4.43Å; Y108-R718 HydrophobicContact CE2-CB 4.14Å; Y108-R718 HydrophobicContact CG-CB 4.06Å; Y108-R718 HydrophobicContact CG-CG 3.79Å; Y108-V721 HydrophobicContact CD2-CB 3.96Å; Y108-V721 HydrophobicContact CD2-CG1 4.41Å; Y108-V721 HydrophobicContact CD2-CG2 3.84Å; Y108-V721 HydrophobicContact CE2-CG2 4.32Å
109	N	98.5	Very high	97.8	Very high	54 Å²	54	50.2 Å²	50.2	29%	0.289	26%	0.26	S	S	.	.	H	α-helix	trans	-68	-35	178.3	-79.6	-26	0	0	0	111.8	D98 V101 D106 A111 G113 R718	D98-N109 WeakPolarHBondContact CB-O 3.33Å; V101-N109 HydrophobicContact CG1-CB 4.13Å; V101-N109 HydrophobicContact CG2-CB 4.2Å; D106-N109 HydrophobicContact CB-CB 4.43Å; D106-N109 PolarHBondContact O-N 3.16Å; D106-N109 PolarHBondContact OD1-N 2.81Å; D106-N109 WeakPolarHBondContact OD2-CB 3.42Å; D106-N109 PolarHBondContact OD2-ND2 3.05Å; N109-A111 VanDerWaalsContact C-N 3.34Å; N109-A111 PolarHBondContact O-N 2.72Å; N109-G113 WeakPolarHBondContact O-CA 3.48Å; N109-G113 PolarHBondContact O-N 3.21Å; N109-R718 VanDerWaalsContact CG-NH1 3.28Å; N109-R718 PolarHBondContact ND2-NH1 3.43Å; N109-R718 VanDerWaalsContact ND2-NH1 3.12Å; N109-R718 PolarHBondContact OD1-NH1 3.04Å
110	F	98.8	Very high	97.7	Very high	15 Å²	15	48.6 Å²	48.6	7%	0.066	27%	0.266	C	S	.	.	H	α-helix	trans	-57.8	-45.8	170.7	171.8	-99.5	0	0	0	112.3	L97 D98 V101 P103 D106 F107 Y108 M682 V690 F735	L97-F110 CarbonylContact C-O 3.57Å; L97-F110 WeakPolarHBondContact CA-O 3.41Å; L97-F110 HydrophobicContact CD2-CD1 4.33Å; L97-F110 HydrophobicContact CD2-CE1 4.02Å; L97-F110 HydrophobicContact CD2-CZ 4.35Å; L97-F110 WeakPolarHBondContact CD2-O 3.31Å; D98-F110 PolarHBondContact N-O 2.94Å; V101-F110 HydrophobicContact CB-CB 4.35Å; V101-F110 HydrophobicContact CG1-CB 4.32Å; V101-F110 VanDerWaalsContact O-CD2 3.28Å; V101-F110 WeakPolarHBondContact O-CD2 3.48Å; P103-F110 HydrophobicContact CB-CB 4.31Å; P103-F110 HydrophobicContact CB-CD1 3.79Å; P103-F110 HydrophobicContact CB-CD2 4.15Å; P103-F110 HydrophobicContact CB-CE1 4.05Å; P103-F110 HydrophobicContact CB-CE2 4.38Å; P103-F110 HydrophobicContact CB-CG 3.81Å; P103-F110 HydrophobicContact CB-CZ 4.3Å; P103-F110 HydrophobicContact CG-CD2 4.4Å; P103-F110 HydrophobicContact CG-CE2 4.32Å; P103-F110 HydrophobicContact CG-CZ 4.41Å; D106-F110 WeakPolarHBondContact O-CB 3.37Å; D106-F110 PolarHBondContact O-N 2.67Å; F107-F110 AromaticContact CD2-CD1 3.83Å; F107-F110 HydrophobicContact CD2-CD1 3.83Å; F107-F110 AromaticContact CE2-CD1 3.65Å; F107-F110 HydrophobicContact CE2-CD1 3.65Å; F107-F110 AromaticContact CE2-CE1 3.96Å; F107-F110 HydrophobicContact CE2-CE1 3.96Å; Y108-F110 VanDerWaalsContact C-N 3.34Å; Y108-F110 PolarHBondContact O-N 2.84Å; F110-M682 HydrophobicContact CE1-CE 3.97Å; F110-M682 HydrophobicContact CZ-CE 3.5Å; F110-M682 VanDerWaalsContact CZ-CE 3.5Å; F110-V690 HydrophobicContact CE1-CG2 4.21Å; F110-F735 HydrophobicContact CE1-CE1 4.05Å
111	A	98.6	Very high	97.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-79.2	-33.5	-175.6	0	0	0	0	0	114.1	A96 F107 Y108 N109 A693 Q694	A96-A111 CarbonylContact C-O 3.29Å; F107-A111 VanDerWaalsContact O-CB 3.23Å; F107-A111 WeakPolarHBondContact O-CB 3.43Å; F107-A111 PolarHBondContact O-N 3.05Å; Y108-A111 PolarHBondContact O-N 3.46Å; N109-A111 VanDerWaalsContact C-N 3.34Å; N109-A111 PolarHBondContact O-N 2.72Å; A111-A693 HydrophobicContact CB-CB 3.44Å; A111-A693 VanDerWaalsContact CB-CB 3.44Å; A111-Q694 HydrophobicContact CB-CG 4.47Å; A111-Q694 WeakPolarHBondContact O-CG 3.06Å; A111-Q694 PolarHBondContact O-NE2 3.37Å
112	C	98.6	Very high	97.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-121.8	-8.2	-168.2	-69.6	0	0	0	0	115.1	A96 Y108 G114 W115 V116 A693 C697	A96-C112 CarbonylContact O-C 3.48Å; A96-C112 VanDerWaalsContact O-C 3.29Å; A96-C112 WeakPolarHBondContact O-CA 3.47Å; Y108-C112 HydrophobicContact CD1-CB 4.4Å; Y108-C112 HydrophobicContact CE1-CB 4.14Å; Y108-C112 HydrophobicContact CE2-CB 4.42Å; Y108-C112 WeakPolarHBondContact O-CA 3.15Å; Y108-C112 VanDerWaalsContact O-CB 3.25Å; Y108-C112 WeakPolarHBondContact O-CB 3.35Å; Y108-C112 PolarHBondContact O-N 3.43Å; C112-G114 VanDerWaalsContact C-N 3.32Å; C112-G114 PolarHBondContact O-N 3.12Å; C112-W115 CarbonylContact O-C 3.47Å; C112-W115 WeakPolarHBondContact O-CA 3.35Å; C112-W115 WeakPolarHBondContact O-CB 3.36Å; C112-W115 PolarHBondContact O-N 2.9Å; C112-V116 WeakPolarHBondContact O-CG2 3.29Å; C112-V116 PolarHBondContact O-N 3.4Å; C112-A693 PolarHBondContact SG-O 3.3Å; C112-A693 VanDerWaalsContact SG-O 3.4Å; C112-C697 WeakPolarHBondContact CA-SG 3.44Å; C112-C697 HydrophobicContact CB-CB 3.78Å; C112-C697 WeakPolarHBondContact CB-SG 3.34Å; C112-C697 WeakPolarHBondContact SG-CA 3.3Å; C112-C697 WeakPolarHBondContact SG-CB 3.33Å; C112-C697 CovalentContact SG-SG 2.04Å; C112-C697 PolarHBondContact SG-SG 3.36Å
113	G	98.3	Very high	96.5	Very high	12 Å²	12	50.2 Å²	50.2	12%	0.124	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-40.2	-172.8	0	0	0	0	0	112.9	N109 K117	N109-G113 WeakPolarHBondContact O-CA 3.48Å; N109-G113 PolarHBondContact O-N 3.21Å; G113-K117 WeakPolarHBondContact O-CB 3.3Å; G113-K117 PolarHBondContact O-N 2.78Å
114	G	98.2	Very high	95.8	Very high	10 Å²	10	49.8 Å²	49.8	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-41.9	171.6	0	0	0	0	0	112.1	G95 A96 C112 K117 N118	G95-G114 CarbonylContact O-C 3.37Å; A96-G114 CarbonylContact O-C 3.38Å; A96-G114 VanDerWaalsContact O-CA 3.29Å; A96-G114 WeakPolarHBondContact O-CA 3.41Å; A96-G114 PolarHBondContact O-N 3.46Å; C112-G114 VanDerWaalsContact C-N 3.32Å; C112-G114 PolarHBondContact O-N 3.12Å; G114-K117 PolarHBondContact O-N 2.93Å; G114-N118 WeakPolarHBondContact O-CB 3.16Å; G114-N118 VanDerWaalsContact O-CG 3.23Å; G114-N118 PolarHBondContact O-N 2.89Å; G114-N118 PolarHBondContact O-ND2 2.8Å
115	W	97.8	Very high	95.5	Very high	40 Å²	40	52.1 Å²	52.1	15%	0.152	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-48.7	177.7	-172.3	94.5	0	0	0	111.4	A96 C112 K117 N118 N119 W128 G129 C697 V699	A96-W115 HydrophobicContact CB-CB 3.81Å; A96-W115 PolarHBondContact O-N 3.33Å; C112-W115 CarbonylContact O-C 3.47Å; C112-W115 WeakPolarHBondContact O-CA 3.35Å; C112-W115 WeakPolarHBondContact O-CB 3.36Å; C112-W115 PolarHBondContact O-N 2.9Å; W115-K117 VanDerWaalsContact C-N 3.3Å; W115-K117 PolarHBondContact O-N 2.88Å; W115-N118 PolarHBondContact O-N 2.87Å; W115-N118 VanDerWaalsContact O-N 3.15Å; W115-N119 HydrophobicContact CD2-CB 4.08Å; W115-N119 HydrophobicContact CE3-CB 4.14Å; W115-N119 HydrophobicContact CH2-CB 3.82Å; W115-N119 HydrophobicContact CZ2-CB 3.79Å; W115-N119 HydrophobicContact CZ3-CB 4.02Å; W115-N119 PolarHBondContact NE1-ND2 3.2Å; W115-N119 VanDerWaalsContact O-CB 3.31Å; W115-N119 WeakPolarHBondContact O-CB 3.48Å; W115-N119 PolarHBondContact O-N 2.95Å; W115-N119 PolarHBondContact O-ND2 3.35Å; W115-W128 AromaticContact CH2-CD1 3.77Å; W115-G129 VanDerWaalsContact CH2-CA 3.5Å; W115-C697 HydrophobicContact CB-CB 4.22Å; W115-C697 HydrophobicContact CD2-CB 3.67Å; W115-C697 HydrophobicContact CE3-CB 3.66Å; W115-C697 HydrophobicContact CG-CB 3.91Å; W115-C697 HydrophobicContact CZ3-CB 4.36Å; W115-V699 HydrophobicContact CZ3-CG1 4.33Å
116	V	96.9	Very high	95.3	Very high	50 Å²	50	47.7 Å²	47.7	30%	0.303	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-41.6	179.1	166.4	0	0	0	0	110.9	C112 V699	C112-V116 WeakPolarHBondContact O-CG2 3.29Å; C112-V116 PolarHBondContact O-N 3.4Å; V116-V699 HydrophobicContact CB-CG1 4.29Å; V116-V699 HydrophobicContact CG1-CG1 3.8Å; V116-V699 HydrophobicContact CG2-CG1 4.2Å
117	K	96	Very high	95.1	Very high	177 Å²	177	50.7 Å²	50.7	77%	0.77	26%	0.264	S	S	*	.	H	α-helix	trans	-65	-38.3	176.7	-175.5	-179.4	178.6	-177.7	0	112.7	G113 G114 W115	G113-K117 WeakPolarHBondContact O-CB 3.3Å; G113-K117 PolarHBondContact O-N 2.78Å; G114-K117 PolarHBondContact O-N 2.93Å; W115-K117 VanDerWaalsContact C-N 3.3Å; W115-K117 PolarHBondContact O-N 2.88Å
118	N	95.6	Very high	94.9	Very high	105 Å²	105	52.1 Å²	52.1	56%	0.561	27%	0.269	S	S	*	.	H	α-helix	trans	-90	-12.3	-174.6	-66.3	-30.1	0	0	0	113.8	G95 G114 W115 P120	G95-N118 PolarHBondContact O-ND2 3.01Å; G114-N118 WeakPolarHBondContact O-CB 3.16Å; G114-N118 VanDerWaalsContact O-CG 3.23Å; G114-N118 PolarHBondContact O-N 2.89Å; G114-N118 PolarHBondContact O-ND2 2.8Å; W115-N118 PolarHBondContact O-N 2.87Å; W115-N118 VanDerWaalsContact O-N 3.15Å; N118-P120 WeakPolarHBondContact O-CD 3.24Å
119	N	94.8	Very high	94.9	Very high	47 Å²	47	51.8 Å²	51.8	25%	0.251	27%	0.27	S	S	.	.			trans	-123.5	74.7	-177.3	-66.5	-92.8	0	0	0	110.3	W115	W115-N119 HydrophobicContact CD2-CB 4.08Å; W115-N119 HydrophobicContact CE3-CB 4.14Å; W115-N119 HydrophobicContact CH2-CB 3.82Å; W115-N119 HydrophobicContact CZ2-CB 3.79Å; W115-N119 HydrophobicContact CZ3-CB 4.02Å; W115-N119 PolarHBondContact NE1-ND2 3.2Å; W115-N119 VanDerWaalsContact O-CB 3.31Å; W115-N119 WeakPolarHBondContact O-CB 3.48Å; W115-N119 PolarHBondContact O-N 2.95Å; W115-N119 PolarHBondContact O-ND2 3.35Å
120	P	93.1	Very high	94.8	Very high	98 Å²	98	49.8 Å²	49.8	64%	0.636	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-60	153.5	171.8	29.2	-35.3	0	0	0	110	N118 P122	N118-P120 WeakPolarHBondContact O-CD 3.24Å; P120-P122 VanDerWaalsContact O-CD 3.25Å; P120-P122 WeakPolarHBondContact O-CD 3.35Å
121	L	92.4	Very high	94.7	Very high	54 Å²	54	51.2 Å²	51.2	28%	0.283	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-59.9	119.4	178.2	-174.7	68.6	0	0	0	109.8	K125 W128 V699 T701	L121-K125 HydrophobicContact CD1-CB 3.98Å; L121-K125 WeakPolarHBondContact CD2-O 3.39Å; L121-K125 HydrophobicContact CG-CB 4.42Å; L121-K125 WeakPolarHBondContact CG-O 3.37Å; L121-W128 HydrophobicContact CD1-CB 3.77Å; L121-V699 HydrophobicContact CB-CG2 4.07Å; L121-V699 HydrophobicContact CD1-CG2 4.14Å; L121-T701 HydrophobicContact CD2-CG2 3.34Å
122	P	91.1	Very high	94.5	Very high	47 Å²	47	52.6 Å²	52.6	31%	0.305	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-62.7	152	178.7	-22.8	34.2	0	0	0	112	P120 G124 K125 W128	P120-P122 VanDerWaalsContact O-CD 3.25Å; P120-P122 WeakPolarHBondContact O-CD 3.35Å; P122-G124 PolarHBondContact O-N 2.84Å; P122-K125 HydrophobicContact CB-CG 4.02Å; P122-K125 HydrophobicContact CG-CG 4.41Å; P122-K125 WeakPolarHBondContact O-CB 3.49Å; P122-K125 PolarHBondContact O-N 3.03Å; P122-K125 VanDerWaalsContact O-N 3.08Å; P122-W128 VanDerWaalsContact CD-CG 3.49Å; P122-W128 HydrophobicContact CG-CD2 3.68Å; P122-W128 HydrophobicContact CG-CE3 4.05Å; P122-W128 HydrophobicContact CG-CG 3.92Å; P122-W128 HydrophobicContact CG-CZ2 4.28Å
123	E	85.9	Confident	94.4	Very high	164 Å²	164	56.5 Å²	56.5	77%	0.766	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	137.6	177	-64.8	-171.7	166.8	0	0	111.8	K125 S409	E123-K125 PolarHBondContact O-N 3.16Å; E123-S409 PolarHBondContact O-OG 2.88Å
124	G	85	Confident	94.3	Very high	13 Å²	13	56.3 Å²	56.3	13%	0.134	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	3	-176	0	0	0	0	0	115.3	P122 K407 S409	P122-G124 PolarHBondContact O-N 2.84Å; G124-K407 WeakPolarHBondContact CA-O 3.21Å; G124-K407 PolarHBondContact N-O 3.41Å; G124-S409 WeakPolarHBondContact CA-OG 3.29Å; G124-S409 PolarHBondContact N-OG 3.28Å
125	K	91.4	Very high	94.2	Very high	58 Å²	58	58.9 Å²	58.9	25%	0.252	30%	0.299	S	S	.	.			trans	-100.4	146.8	170.9	-58.9	-58.4	-174.2	178.6	0	110.3	L121 P122 E123 W128 E136	L121-K125 HydrophobicContact CD1-CB 3.98Å; L121-K125 WeakPolarHBondContact CD2-O 3.39Å; L121-K125 HydrophobicContact CG-CB 4.42Å; L121-K125 WeakPolarHBondContact CG-O 3.37Å; P122-K125 HydrophobicContact CB-CG 4.02Å; P122-K125 HydrophobicContact CG-CG 4.41Å; P122-K125 WeakPolarHBondContact O-CB 3.49Å; P122-K125 PolarHBondContact O-N 3.03Å; P122-K125 VanDerWaalsContact O-N 3.08Å; E123-K125 PolarHBondContact O-N 3.16Å; K125-W128 HydrophobicContact CG-CE3 4.29Å; K125-E136 WeakPolarHBondContact CE-OE1 3.27Å; K125-E136 IonicContact NZ-OE1 3.54Å; K125-E136 PolarHBondContact NZ-OE1 2.82Å
126	S	93.5	Very high	94.1	Very high	28 Å²	28	58.1 Å²	58.1	20%	0.196	30%	0.297	C	S	.	.	S	Bend	trans	-102.5	-24.7	172.4	53.1	0	0	0	0	112.5	Y404 R700 T701	S126-Y404 WeakPolarHBondContact CB-O 3.24Å; S126-R700 CarbonylContact O-C 3.58Å; S126-R700 VanDerWaalsContact O-CA 3.25Å; S126-R700 WeakPolarHBondContact O-CA 3.46Å; S126-R700 WeakPolarHBondContact O-CG 3.18Å; S126-T701 PolarHBondContact O-N 3.04Å
127	R	94.4	Very high	94.1	Very high	81 Å²	81	60.1 Å²	60.1	31%	0.306	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	144	175.5	-178.9	-180	175.7	178.8	-0.8	109.5	V699 R700 S717	R127-V699 CarbonylContact C-O 3.56Å; R127-V699 WeakPolarHBondContact CA-O 3.33Å; R127-R700 HydrophobicContact CB-CG 4.2Å; R127-S717 PolarHBondContact NH2-OG 2.93Å
128	W	96.4	Very high	94.2	Very high	30 Å²	30	51.7 Å²	51.7	11%	0.114	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	137.8	175.5	-169.6	-114.2	0	0	0	110.8	W115 L121 P122 K125 N133 E136 A698 V699	W115-W128 AromaticContact CH2-CD1 3.77Å; L121-W128 HydrophobicContact CD1-CB 3.77Å; P122-W128 VanDerWaalsContact CD-CG 3.49Å; P122-W128 HydrophobicContact CG-CD2 3.68Å; P122-W128 HydrophobicContact CG-CE3 4.05Å; P122-W128 HydrophobicContact CG-CG 3.92Å; P122-W128 HydrophobicContact CG-CZ2 4.28Å; K125-W128 HydrophobicContact CG-CE3 4.29Å; W128-N133 HydrophobicContact CH2-CB 4.36Å; W128-N133 HydrophobicContact CZ2-CB 4.04Å; W128-E136 HydrophobicContact CH2-CB 4.19Å; W128-E136 HydrophobicContact CH2-CG 3.77Å; W128-E136 HydrophobicContact CZ3-CG 3.77Å; W128-A698 CarbonylContact O-C 3.58Å; W128-A698 WeakPolarHBondContact O-CA 3.48Å; W128-V699 HydrophobicContact CB-CG2 3.8Å; W128-V699 PolarHBondContact N-O 3.17Å; W128-V699 PolarHBondContact O-N 3.41Å
129	G	96.9	Very high	94.2	Very high	5 Å²	5	47 Å²	47	5%	0.052	24%	0.241	C	C	.	.	S	Bend	trans	-177.5	-177.7	-174.9	0	0	0	0	0	110.5	W115 F131 S132 N133 C697	W115-G129 VanDerWaalsContact CH2-CA 3.5Å; G129-F131 VanDerWaalsContact C-N 3.3Å; G129-F131 PolarHBondContact O-N 2.92Å; G129-S132 PolarHBondContact O-N 3.13Å; G129-S132 VanDerWaalsContact O-N 3.11Å; G129-N133 WeakPolarHBondContact O-CB 3.28Å; G129-N133 PolarHBondContact O-N 2.94Å; G129-C697 VanDerWaalsContact CA-O 3.28Å; G129-C697 WeakPolarHBondContact CA-O 3.46Å
130	P	96.4	Very high	94.4	Very high	12 Å²	12	49.3 Å²	49.3	8%	0.078	25%	0.253	C	S	.	.	H	α-helix	trans	-48.7	-45.3	175.9	-34.5	39.7	0	0	0	114.7	N133 L134 P568 F569 Q694 V695 C697	P130-N133 PolarHBondContact O-N 3.29Å; P130-L134 WeakPolarHBondContact O-CB 3.5Å; P130-L134 PolarHBondContact O-N 3.4Å; P130-P568 HydrophobicContact CB-CG 3.72Å; P130-P568 HydrophobicContact CG-CG 4.31Å; P130-F569 HydrophobicContact CB-CZ 4.49Å; P130-Q694 WeakPolarHBondContact CG-O 3.41Å; P130-V695 WeakPolarHBondContact CG-O 3.28Å; P130-C697 WeakPolarHBondContact CD-O 3.31Å
131	F	96.6	Very high	94.6	Very high	45 Å²	45	45.2 Å²	45.2	20%	0.197	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-48.8	176.6	-69.6	-92.6	0	0	0	112.3	G129 N133 W135 V547 I564 F569 V695 W696	G129-F131 VanDerWaalsContact C-N 3.3Å; G129-F131 PolarHBondContact O-N 2.92Å; F131-N133 VanDerWaalsContact C-N 3.35Å; F131-N133 PolarHBondContact O-N 3.28Å; F131-W135 WeakPolarHBondContact O-CB 3.44Å; F131-W135 PolarHBondContact O-N 3.48Å; F131-V547 HydrophobicContact CD1-CG1 4.16Å; F131-I564 HydrophobicContact CE1-CD1 4.18Å; F131-F569 HydrophobicContact CD1-CE1 4.3Å; F131-F569 AromaticContact CD1-CZ 3.7Å; F131-F569 HydrophobicContact CD1-CZ 3.7Å; F131-F569 HydrophobicContact CD2-CE1 4.44Å; F131-F569 AromaticContact CD2-CZ 3.89Å; F131-F569 HydrophobicContact CD2-CZ 3.89Å; F131-F569 AromaticContact CE1-CE1 3.69Å; F131-F569 HydrophobicContact CE1-CE1 3.69Å; F131-F569 AromaticContact CE1-CZ 3.56Å; F131-F569 HydrophobicContact CE1-CZ 3.56Å; F131-F569 AromaticContact CE2-CE1 3.84Å; F131-F569 HydrophobicContact CE2-CE1 3.84Å; F131-F569 AromaticContact CE2-CZ 3.76Å; F131-F569 HydrophobicContact CE2-CZ 3.76Å; F131-F569 AromaticContact CG-CZ 3.87Å; F131-F569 HydrophobicContact CG-CZ 3.87Å; F131-F569 AromaticContact CZ-CE1 3.43Å; F131-F569 HydrophobicContact CZ-CE1 3.43Å; F131-F569 VanDerWaalsContact CZ-CE1 3.43Å; F131-F569 AromaticContact CZ-CZ 3.61Å; F131-F569 HydrophobicContact CZ-CZ 3.61Å; F131-V695 HydrophobicContact CE2-CG1 3.89Å; F131-V695 HydrophobicContact CZ-CG1 4.21Å; F131-W696 AromaticContact CE2-CE3 3.94Å; F131-W696 HydrophobicContact CE2-CE3 3.94Å; F131-W696 HydrophobicContact CE2-CH2 4.05Å; F131-W696 AromaticContact CE2-CZ3 3.59Å; F131-W696 HydrophobicContact CE2-CZ3 3.59Å; F131-W696 AromaticContact CZ-CH2 3.93Å; F131-W696 HydrophobicContact CZ-CH2 3.93Å; F131-W696 AromaticContact CZ-CZ3 3.92Å; F131-W696 HydrophobicContact CZ-CZ3 3.92Å
132	S	95.8	Very high	94.9	Very high	28 Å²	28	42.7 Å²	42.7	20%	0.196	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-38.2	179.1	-49.1	0	0	0	0	112.2	G129 E136	G129-S132 PolarHBondContact O-N 3.13Å; G129-S132 VanDerWaalsContact O-N 3.11Å; S132-E136 WeakPolarHBondContact O-CG 3.47Å; S132-E136 PolarHBondContact O-N 3.48Å
133	N	95.3	Very high	95.2	Very high	83 Å²	83	42.6 Å²	42.6	44%	0.444	21%	0.208	S	C	.	.	H	α-helix	trans	-65.8	-47.7	178.8	-172.6	-76.4	0	0	0	111.3	W128 G129 P130 F131 W135 E136 H137	W128-N133 HydrophobicContact CH2-CB 4.36Å; W128-N133 HydrophobicContact CZ2-CB 4.04Å; G129-N133 WeakPolarHBondContact O-CB 3.28Å; G129-N133 PolarHBondContact O-N 2.94Å; P130-N133 PolarHBondContact O-N 3.29Å; F131-N133 VanDerWaalsContact C-N 3.35Å; F131-N133 PolarHBondContact O-N 3.28Å; N133-W135 VanDerWaalsContact C-N 3.34Å; N133-W135 PolarHBondContact O-N 3.06Å; N133-E136 PolarHBondContact O-N 3.13Å; N133-H137 PolarHBondContact O-N 3.43Å
134	L	96.3	Very high	95.8	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-66.9	-36.6	178.3	-176.9	55.6	0	0	0	111.7	P130 H137 N138 V547 G563 Q566 F569	P130-L134 WeakPolarHBondContact O-CB 3.5Å; P130-L134 PolarHBondContact O-N 3.4Å; L134-H137 WeakPolarHBondContact O-CB 3.49Å; L134-H137 PolarHBondContact O-N 3.12Å; L134-N138 PolarHBondContact O-N 3.4Å; L134-V547 HydrophobicContact CB-CG1 4.15Å; L134-V547 HydrophobicContact CB-CG2 4.29Å; L134-V547 HydrophobicContact CD2-CG1 3.74Å; L134-V547 HydrophobicContact CD2-CG2 4.25Å; L134-V547 HydrophobicContact CG-CG1 4.04Å; L134-V547 HydrophobicContact CG-CG2 3.83Å; L134-G563 WeakPolarHBondContact CD2-O 3.36Å; L134-Q566 HydrophobicContact CD1-CB 3.86Å; L134-Q566 HydrophobicContact CD2-CB 4.07Å; L134-F569 HydrophobicContact CD2-CD2 3.75Å; L134-F569 HydrophobicContact CD2-CE2 3.78Å
135	W	96.9	Very high	96.4	Very high	65 Å²	65	40.7 Å²	40.7	25%	0.246	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-45.8	172.3	176.9	-114.1	0	0	0	111.8	F131 N133 H137 N138 M139 M142 V547	F131-W135 WeakPolarHBondContact O-CB 3.44Å; F131-W135 PolarHBondContact O-N 3.48Å; N133-W135 VanDerWaalsContact C-N 3.34Å; N133-W135 PolarHBondContact O-N 3.06Å; W135-H137 VanDerWaalsContact C-N 3.28Å; W135-H137 PolarHBondContact O-N 3.41Å; W135-N138 PolarHBondContact O-N 3.44Å; W135-N138 VanDerWaalsContact O-N 3.17Å; W135-M139 HydrophobicContact CD2-CG 4.14Å; W135-M139 HydrophobicContact CG-CG 4.43Å; W135-M139 HydrophobicContact CZ2-CG 4Å; W135-M139 HydrophobicContact CZ2-SD 4.35Å; W135-M139 PolarHBondContact NE1-SD 3.35Å; W135-M139 VanDerWaalsContact O-CG 3.29Å; W135-M139 WeakPolarHBondContact O-CG 3.46Å; W135-M139 PolarHBondContact O-N 3.46Å; W135-M142 HydrophobicContact CH2-CE 3.8Å; W135-M142 HydrophobicContact CZ2-CE 4.42Å; W135-M142 HydrophobicContact CZ3-CE 3.93Å; W135-V547 HydrophobicContact CB-CG2 4.28Å; W135-V547 HydrophobicContact CE3-CG2 4.28Å
136	E	95.4	Very high	96.7	Very high	23 Å²	23	37.9 Å²	37.9	11%	0.107	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-35.8	175.7	-76	-78.2	173.2	0	0	112.5	K125 W128 S132 N133 M139 L140 K415	K125-E136 WeakPolarHBondContact CE-OE1 3.27Å; K125-E136 IonicContact NZ-OE1 3.54Å; K125-E136 PolarHBondContact NZ-OE1 2.82Å; W128-E136 HydrophobicContact CH2-CB 4.19Å; W128-E136 HydrophobicContact CH2-CG 3.77Å; W128-E136 HydrophobicContact CZ3-CG 3.77Å; S132-E136 WeakPolarHBondContact O-CG 3.47Å; S132-E136 PolarHBondContact O-N 3.48Å; N133-E136 PolarHBondContact O-N 3.13Å; E136-M139 PolarHBondContact O-N 2.89Å; E136-L140 WeakPolarHBondContact O-CG 3.39Å; E136-L140 PolarHBondContact O-N 3.41Å; E136-K415 IonicContact OE1-NZ 3.2Å; E136-K415 PolarHBondContact OE1-NZ 2.75Å; E136-K415 VanDerWaalsContact OE2-CE 3.23Å; E136-K415 WeakPolarHBondContact OE2-CE 3.4Å; E136-K415 IonicContact OE2-NZ 3.61Å; E136-K415 PolarHBondContact OE2-NZ 3.22Å
137	H	96.4	Very high	96.9	Very high	93 Å²	93	40.3 Å²	40.3	43%	0.431	19%	0.186	S	C	.	.	H	α-helix	trans	-62.6	-50.3	171.4	-176.5	73.3	0	0	0	111.8	N133 L134 W135 M139 L140 V141	N133-H137 PolarHBondContact O-N 3.43Å; L134-H137 WeakPolarHBondContact O-CB 3.49Å; L134-H137 PolarHBondContact O-N 3.12Å; W135-H137 VanDerWaalsContact C-N 3.28Å; W135-H137 PolarHBondContact O-N 3.41Å; H137-M139 VanDerWaalsContact C-N 3.27Å; H137-M139 PolarHBondContact O-N 3.32Å; H137-L140 WeakPolarHBondContact O-CB 3.42Å; H137-L140 PolarHBondContact O-N 3.25Å; H137-L140 VanDerWaalsContact O-N 3.1Å; H137-V141 PolarHBondContact O-N 2.84Å
138	N	97.7	Very high	96.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-37.9	177.9	-69.7	-4	0	0	0	111.5	L134 W135 L140 V141 M142 F433 P545 V547 G563 Q566	L134-N138 PolarHBondContact O-N 3.4Å; W135-N138 PolarHBondContact O-N 3.44Å; W135-N138 VanDerWaalsContact O-N 3.17Å; N138-L140 VanDerWaalsContact C-N 3.32Å; N138-L140 PolarHBondContact O-N 2.93Å; N138-V141 PolarHBondContact O-N 3.38Å; N138-M142 HydrophobicContact CB-CE 4.44Å; N138-M142 WeakPolarHBondContact O-CG 3.39Å; N138-M142 PolarHBondContact O-N 2.89Å; N138-F433 HydrophobicContact CB-CE2 3.91Å; N138-F433 HydrophobicContact CB-CZ 4.22Å; N138-P545 PolarHBondContact ND2-O 2.89Å; N138-V547 VanDerWaalsContact ND2-CG2 3.28Å; N138-V547 WeakPolarHBondContact ND2-CG2 3.32Å; N138-G563 WeakPolarHBondContact ND2-CA 3.34Å; N138-G563 PolarHBondContact ND2-O 3.48Å; N138-Q566 PolarHBondContact OD1-NE2 2.89Å
139	M	97.4	Very high	96.5	Very high	7 Å²	7	42.9 Å²	42.9	3%	0.034	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-38.3	175.3	-74	-172.8	79.3	0	0	112.7	W135 E136 H137 M142 K143 W414 K415 V418	W135-M139 HydrophobicContact CD2-CG 4.14Å; W135-M139 HydrophobicContact CG-CG 4.43Å; W135-M139 HydrophobicContact CZ2-CG 4Å; W135-M139 HydrophobicContact CZ2-SD 4.35Å; W135-M139 PolarHBondContact NE1-SD 3.35Å; W135-M139 VanDerWaalsContact O-CG 3.29Å; W135-M139 WeakPolarHBondContact O-CG 3.46Å; W135-M139 PolarHBondContact O-N 3.46Å; E136-M139 PolarHBondContact O-N 2.89Å; H137-M139 VanDerWaalsContact C-N 3.27Å; H137-M139 PolarHBondContact O-N 3.32Å; M139-M142 HydrophobicContact CG-CE 4.18Å; M139-M142 PolarHBondContact O-N 3.12Å; M139-K143 VanDerWaalsContact O-CB 3.31Å; M139-K143 WeakPolarHBondContact O-CB 3.31Å; M139-K143 PolarHBondContact O-N 3.13Å; M139-W414 HydrophobicContact CB-CH2 4.32Å; M139-W414 HydrophobicContact CB-CZ3 4Å; M139-W414 HydrophobicContact CE-CZ3 4.27Å; M139-K415 VanDerWaalsContact CE-CA 3.46Å; M139-K415 HydrophobicContact CE-CB 3.57Å; M139-K415 HydrophobicContact CE-CD 4.41Å; M139-K415 HydrophobicContact CE-CG 3.85Å; M139-K415 WeakPolarHBondContact CE-O 3.45Å; M139-V418 HydrophobicContact CB-CG1 4.4Å; M139-V418 HydrophobicContact CE-CB 4.21Å; M139-V418 HydrophobicContact CE-CG1 4.24Å; M139-V418 HydrophobicContact CG-CG1 4.3Å
140	L	97.7	Very high	96.2	Very high	95 Å²	95	47.9 Å²	47.9	50%	0.497	24%	0.241	S	C	.	.	H	α-helix	trans	-67.8	-39.6	176.1	-71.2	169.1	0	0	0	112.2	E136 H137 N138 K143 R144 W414	E136-L140 WeakPolarHBondContact O-CG 3.39Å; E136-L140 PolarHBondContact O-N 3.41Å; H137-L140 WeakPolarHBondContact O-CB 3.42Å; H137-L140 PolarHBondContact O-N 3.25Å; H137-L140 VanDerWaalsContact O-N 3.1Å; N138-L140 VanDerWaalsContact C-N 3.32Å; N138-L140 PolarHBondContact O-N 2.93Å; L140-K143 PolarHBondContact O-N 3.09Å; L140-R144 PolarHBondContact O-N 3.14Å; L140-W414 HydrophobicContact CD2-CH2 3.73Å; L140-W414 HydrophobicContact CD2-CZ2 3.97Å; L140-W414 HydrophobicContact CG-CH2 4.28Å
141	V	97.9	Very high	95.9	Very high	12 Å²	12	50.3 Å²	50.3	7%	0.073	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-50.8	173.8	176.1	0	0	0	0	109.9	H137 N138 K143 R144 L145 F433 T437	H137-V141 PolarHBondContact O-N 2.84Å; N138-V141 PolarHBondContact O-N 3.38Å; V141-K143 VanDerWaalsContact C-N 3.34Å; V141-K143 PolarHBondContact O-N 2.91Å; V141-R144 WeakPolarHBondContact O-CB 3.46Å; V141-R144 PolarHBondContact O-N 3.29Å; V141-R144 VanDerWaalsContact O-N 3.17Å; V141-L145 HydrophobicContact CG1-CD1 3.86Å; V141-L145 HydrophobicContact CG1-CG 4.44Å; V141-L145 WeakPolarHBondContact O-CG 3.4Å; V141-L145 PolarHBondContact O-N 3.37Å; V141-F433 HydrophobicContact CB-CD2 4.46Å; V141-F433 HydrophobicContact CB-CE2 4.28Å; V141-F433 HydrophobicContact CG1-CD2 4Å; V141-F433 HydrophobicContact CG1-CE2 4.15Å; V141-T437 HydrophobicContact CG1-CG2 3.68Å; V141-T437 HydrophobicContact CG2-CG2 4.35Å
142	M	98.4	Very high	95.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.9	-44.1	178	-71	-172.9	-70.7	0	0	111.8	W135 N138 M139 R144 L145 L146 V418 L429 F433 P545	W135-M142 HydrophobicContact CH2-CE 3.8Å; W135-M142 HydrophobicContact CZ2-CE 4.42Å; W135-M142 HydrophobicContact CZ3-CE 3.93Å; N138-M142 HydrophobicContact CB-CE 4.44Å; N138-M142 WeakPolarHBondContact O-CG 3.39Å; N138-M142 PolarHBondContact O-N 2.89Å; M139-M142 HydrophobicContact CG-CE 4.18Å; M139-M142 PolarHBondContact O-N 3.12Å; M142-R144 PolarHBondContact O-N 3.23Å; M142-L145 PolarHBondContact O-N 3.12Å; M142-L146 WeakPolarHBondContact O-CB 3.3Å; M142-L146 WeakPolarHBondContact O-CD1 3.43Å; M142-L146 WeakPolarHBondContact O-CG 3.44Å; M142-L146 PolarHBondContact O-N 3.07Å; M142-V418 HydrophobicContact CB-CG1 3.77Å; M142-V418 HydrophobicContact CE-CG1 3.74Å; M142-V418 HydrophobicContact SD-CG1 4.29Å; M142-L429 HydrophobicContact CB-CD1 4.31Å; M142-L429 HydrophobicContact CB-CD2 4.25Å; M142-L429 HydrophobicContact CG-CD1 4.19Å; M142-L429 HydrophobicContact CG-CD2 4.04Å; M142-L429 HydrophobicContact CG-CG 4.13Å; M142-L429 HydrophobicContact SD-CD2 3.52Å; M142-L429 VanDerWaalsContact SD-CD2 3.52Å; M142-L429 HydrophobicContact SD-CG 3.98Å; M142-F433 HydrophobicContact CG-CD2 4.05Å; M142-P545 HydrophobicContact CE-CB 4.23Å; M142-P545 HydrophobicContact CG-CB 4.45Å; M142-P545 HydrophobicContact SD-CB 3.59Å; M142-P545 VanDerWaalsContact SD-CB 3.59Å; M142-P545 HydrophobicContact SD-CG 3.73Å
143	K	98.4	Very high	95.4	Very high	46 Å²	46	60.4 Å²	60.4	20%	0.2	32%	0.316	C	S	.	.	H	α-helix	trans	-53.8	-51.4	173.6	-178.1	-169.4	-172.7	-80.2	0	111.5	M139 L140 V141 L145 L146 E147 W414 V418	M139-K143 VanDerWaalsContact O-CB 3.31Å; M139-K143 WeakPolarHBondContact O-CB 3.31Å; M139-K143 PolarHBondContact O-N 3.13Å; L140-K143 PolarHBondContact O-N 3.09Å; V141-K143 VanDerWaalsContact C-N 3.34Å; V141-K143 PolarHBondContact O-N 2.91Å; K143-L145 VanDerWaalsContact C-N 3.3Å; K143-L145 PolarHBondContact O-N 3.05Å; K143-L146 PolarHBondContact O-N 2.94Å; K143-E147 WeakPolarHBondContact CE-OE1 3.48Å; K143-E147 HydrophobicContact CG-CG 4.37Å; K143-E147 IonicContact NZ-OE1 2.61Å; K143-E147 PolarHBondContact NZ-OE1 3.43Å; K143-E147 IonicContact NZ-OE2 3.83Å; K143-E147 PolarHBondContact NZ-OE2 3.01Å; K143-E147 WeakPolarHBondContact O-CB 3.37Å; K143-E147 WeakPolarHBondContact O-CG 3.25Å; K143-E147 PolarHBondContact O-N 2.82Å; K143-W414 HydrophobicContact CB-CE3 3.9Å; K143-W414 HydrophobicContact CB-CZ3 4Å; K143-W414 HydrophobicContact CD-CB 4.48Å; K143-W414 HydrophobicContact CD-CD2 3.53Å; K143-W414 HydrophobicContact CD-CE3 3.58Å; K143-W414 HydrophobicContact CD-CG 3.93Å; K143-W414 HydrophobicContact CD-CH2 4.33Å; K143-W414 HydrophobicContact CD-CZ2 4.29Å; K143-W414 HydrophobicContact CD-CZ3 3.98Å; K143-W414 HydrophobicContact CG-CD2 4.21Å; K143-W414 HydrophobicContact CG-CE3 3.9Å; K143-W414 HydrophobicContact CG-CZ3 4.4Å; K143-V418 HydrophobicContact CB-CG2 4.04Å
144	R	97.8	Very high	95.4	Very high	127 Å²	127	57.8 Å²	57.8	48%	0.479	30%	0.302	S	S	.	.	H	α-helix	trans	-58.9	-41.7	179.4	-176.3	-169.9	66.1	-156.8	-7.5	111.7	L140 V141 M142 N148 D436	L140-R144 PolarHBondContact O-N 3.14Å; V141-R144 WeakPolarHBondContact O-CB 3.46Å; V141-R144 PolarHBondContact O-N 3.29Å; V141-R144 VanDerWaalsContact O-N 3.17Å; M142-R144 PolarHBondContact O-N 3.23Å; R144-N148 WeakPolarHBondContact O-CB 3.32Å; R144-N148 PolarHBondContact O-N 3.44Å; R144-D436 IonicContact CZ-OD1 3.68Å; R144-D436 IonicContact CZ-OD2 3.69Å; R144-D436 IonicContact NH2-OD1 3.92Å; R144-D436 PolarHBondContact NH2-OD1 2.68Å; R144-D436 IonicContact NH2-OD2 2.71Å; R144-D436 PolarHBondContact NH2-OD2 3.11Å
145	L	97.8	Very high	95.4	Very high	9 Å²	9	57.9 Å²	57.9	5%	0.047	30%	0.303	C	S	.	.	H	α-helix	trans	-67.5	-38.5	178.8	-66.8	168.3	0	0	0	112.1	V141 M142 K143 Q162 L432 D436	V141-L145 HydrophobicContact CG1-CD1 3.86Å; V141-L145 HydrophobicContact CG1-CG 4.44Å; V141-L145 WeakPolarHBondContact O-CG 3.4Å; V141-L145 PolarHBondContact O-N 3.37Å; M142-L145 PolarHBondContact O-N 3.12Å; K143-L145 VanDerWaalsContact C-N 3.3Å; K143-L145 PolarHBondContact O-N 3.05Å; L145-Q162 PolarHBondContact O-NE2 2.98Å; L145-L432 HydrophobicContact CB-CB 4.47Å; L145-L432 HydrophobicContact CD1-CB 4.05Å; L145-D436 HydrophobicContact CD1-CB 4.32Å; L145-D436 HydrophobicContact CD2-CB 4.19Å
146	L	98.1	Very high	95.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-75.4	-31.6	179.8	-68.9	168	0	0	0	113.3	M142 K143 T161 F165 Q166 V418 T421 L429	M142-L146 WeakPolarHBondContact O-CB 3.3Å; M142-L146 WeakPolarHBondContact O-CD1 3.43Å; M142-L146 WeakPolarHBondContact O-CG 3.44Å; M142-L146 PolarHBondContact O-N 3.07Å; K143-L146 PolarHBondContact O-N 2.94Å; L146-T161 HydrophobicContact CD2-CG2 3.64Å; L146-F165 HydrophobicContact CB-CB 4.15Å; L146-F165 HydrophobicContact CB-CD1 3.64Å; L146-F165 HydrophobicContact CB-CD2 4.19Å; L146-F165 HydrophobicContact CB-CE1 4.04Å; L146-F165 HydrophobicContact CB-CG 3.72Å; L146-F165 HydrophobicContact CB-CZ 4.48Å; L146-F165 HydrophobicContact CD1-CB 4.21Å; L146-F165 HydrophobicContact CD1-CD2 3.77Å; L146-F165 HydrophobicContact CD1-CE2 4.34Å; L146-F165 HydrophobicContact CD1-CG 3.97Å; L146-F165 HydrophobicContact CD2-CB 4.07Å; L146-F165 HydrophobicContact CD2-CG 4.5Å; L146-F165 HydrophobicContact CG-CB 4.37Å; L146-F165 HydrophobicContact CG-CG 4.28Å; L146-Q166 PolarHBondContact O-NE2 3.01Å; L146-V418 HydrophobicContact CD1-CG2 4.04Å; L146-T421 HydrophobicContact CD1-CG2 4.26Å; L146-T421 HydrophobicContact CD2-CG2 3.97Å; L146-L429 HydrophobicContact CD1-CD1 4.26Å; L146-L429 HydrophobicContact CD1-CD2 4.2Å; L146-L429 HydrophobicContact CD2-CD1 3.93Å; L146-L429 HydrophobicContact CG-CD1 3.97Å
147	E	97	Very high	95.6	Very high	79 Å²	79	60.4 Å²	60.4	37%	0.369	32%	0.316	S	S	.	.	H	α-helix	trans	-79.2	-19.8	176.4	-73.2	176.7	165.4	0	0	113.1	K143 T149 F165	K143-E147 WeakPolarHBondContact CE-OE1 3.48Å; K143-E147 HydrophobicContact CG-CG 4.37Å; K143-E147 IonicContact NZ-OE1 2.61Å; K143-E147 PolarHBondContact NZ-OE1 3.43Å; K143-E147 IonicContact NZ-OE2 3.83Å; K143-E147 PolarHBondContact NZ-OE2 3.01Å; K143-E147 WeakPolarHBondContact O-CB 3.37Å; K143-E147 WeakPolarHBondContact O-CG 3.25Å; K143-E147 PolarHBondContact O-N 2.82Å; E147-T149 PolarHBondContact O-N 2.86Å; E147-F165 HydrophobicContact CG-CE1 3.71Å; E147-F165 HydrophobicContact CG-CZ 4.16Å
148	N	93.8	Very high	95.6	Very high	61 Å²	61	56 Å²	56	33%	0.326	30%	0.296	S	S	.	.			trans	-80.5	85	-175.8	-171	-0.8	0	0	0	112.8	R144 T150 M151 Q162	R144-N148 WeakPolarHBondContact O-CB 3.32Å; R144-N148 PolarHBondContact O-N 3.44Å; N148-T150 PolarHBondContact O-N 3.01Å; N148-T150 PolarHBondContact OD1-N 2.9Å; N148-T150 VanDerWaalsContact OD1-N 3.13Å; N148-T150 PolarHBondContact OD1-OG1 3.09Å; N148-M151 HydrophobicContact CB-CG 4.04Å; N148-M151 HydrophobicContact CB-SD 4.21Å; N148-M151 WeakPolarHBondContact ND2-CG 3.49Å; N148-Q162 PolarHBondContact O-NE2 3.16Å
149	T	87.6	Confident	95.6	Very high	104 Å²	104	59.5 Å²	59.5	64%	0.638	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-3.6	176.9	58.5	0	0	0	0	114.4	E147	E147-T149 PolarHBondContact O-N 2.86Å
150	T	91.2	Very high	95.6	Very high	109 Å²	109	60.4 Å²	60.4	67%	0.669	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-4.3	-178.1	70.3	0	0	0	0	113.8	N148 K152	N148-T150 PolarHBondContact O-N 3.01Å; N148-T150 PolarHBondContact OD1-N 2.9Å; N148-T150 VanDerWaalsContact OD1-N 3.13Å; N148-T150 PolarHBondContact OD1-OG1 3.09Å; T150-K152 PolarHBondContact O-N 3.46Å
151	M	90.9	Very high	95.5	Very high	64 Å²	64	55.9 Å²	55.9	32%	0.315	29%	0.292	S	S	.	.			trans	-60.1	128.4	178.6	-66.8	-175.7	72.7	0	0	110.8	N148 L154 L432	N148-M151 HydrophobicContact CB-CG 4.04Å; N148-M151 HydrophobicContact CB-SD 4.21Å; N148-M151 WeakPolarHBondContact ND2-CG 3.49Å; M151-L154 HydrophobicContact CB-CD1 3.99Å; M151-L154 HydrophobicContact CB-CD2 3.94Å; M151-L154 HydrophobicContact CB-CG 3.94Å; M151-L154 HydrophobicContact CE-CD2 3.95Å; M151-L154 HydrophobicContact SD-CD2 4.36Å; M151-L432 HydrophobicContact CE-CD2 4.09Å
152	K	90.4	Very high	95.5	Very high	201 Å²	201	56.3 Å²	56.3	87%	0.874	29%	0.293	S	S	*	.			trans	-100.5	150.3	176.3	-63.4	-175.2	-179	-179.9	0	110.2	T150 L154	T150-K152 PolarHBondContact O-N 3.46Å; K152-L154 VanDerWaalsContact C-N 3.33Å
153	G	91.1	Very high	95.5	Very high	83 Å²	83	61.7 Å²	61.7	86%	0.856	31%	0.314	S	S	*	.	S	Bend	trans	75.3	21.2	176.6	0	0	0	0	0	114.2
154	L	95.5	Very high	95.4	Very high	28 Å²	28	59.6 Å²	59.6	15%	0.147	30%	0.304	C	S	.	.			trans	-65.2	143.5	169.4	-63.1	-172.5	0	0	0	110.4	M151 K152 E158 E159 L432	M151-L154 HydrophobicContact CB-CD1 3.99Å; M151-L154 HydrophobicContact CB-CD2 3.94Å; M151-L154 HydrophobicContact CB-CG 3.94Å; M151-L154 HydrophobicContact CE-CD2 3.95Å; M151-L154 HydrophobicContact SD-CD2 4.36Å; K152-L154 VanDerWaalsContact C-N 3.33Å; L154-E158 HydrophobicContact CB-CB 4.13Å; L154-E158 HydrophobicContact CD2-CB 4.25Å; L154-E159 HydrophobicContact CB-CG 4.07Å; L154-L432 HydrophobicContact CD2-CD2 3.73Å
155	S	97.1	Very high	95.4	Very high	9 Å²	9	53.6 Å²	53.6	6%	0.063	28%	0.282	C	S	.	.			trans	-70	163	164.7	63.7	0	0	0	0	110.8	A157 E158 E159 D499	S155-A157 PolarHBondContact O-N 3.46Å; S155-E158 WeakPolarHBondContact CB-OE2 3.32Å; S155-E158 PolarHBondContact N-OE2 3.44Å; S155-E158 PolarHBondContact O-N 2.72Å; S155-E158 WeakPolarHBondContact OG-CG 3.45Å; S155-E158 PolarHBondContact OG-N 2.71Å; S155-E158 PolarHBondContact OG-OE2 3.28Å; S155-E159 PolarHBondContact O-N 3.11Å; S155-D499 WeakPolarHBondContact CB-OD1 3.46Å
156	K	97.3	Very high	95.4	Very high	140 Å²	140	57 Å²	57	61%	0.609	30%	0.297	S	S	*	.	H	α-helix	trans	-63.3	-34	179.1	-63.9	178.8	178.6	177.7	0	111.9	E159 K160 D499	K156-E159 PolarHBondContact O-N 3.3Å; K156-K160 VanDerWaalsContact O-CG 3.29Å; K156-K160 WeakPolarHBondContact O-CG 3.35Å; K156-K160 PolarHBondContact O-N 3.16Å; K156-D499 WeakPolarHBondContact CA-OD1 3.47Å; K156-D499 WeakPolarHBondContact CB-OD1 3.24Å; K156-D499 PolarHBondContact N-OD1 3.42Å; K156-D499 PolarHBondContact N-OD2 3.41Å
157	A	97.7	Very high	95.4	Very high	1 Å²	1	57 Å²	57	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-42.5	175.8	0	0	0	0	0	111.9	S155 K160 T161 A428 L498 D499 F502	S155-A157 PolarHBondContact O-N 3.46Å; A157-K160 PolarHBondContact O-N 3.22Å; A157-T161 PolarHBondContact O-N 2.98Å; A157-T161 PolarHBondContact O-OG1 3.08Å; A157-A428 HydrophobicContact CB-CB 3.97Å; A157-L498 HydrophobicContact CB-CD2 4.12Å; A157-L498 HydrophobicContact CB-CG 3.76Å; A157-D499 PolarHBondContact N-OD1 3.38Å; A157-F502 HydrophobicContact CB-CB 4.11Å; A157-F502 HydrophobicContact CB-CD2 3.85Å; A157-F502 HydrophobicContact CB-CG 4.34Å
158	E	97.8	Very high	95.4	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-41.3	175.7	-69.6	164.4	146.1	0	0	111.1	L154 S155 K160 T161 Q162 L432 K435 L498	L154-E158 HydrophobicContact CB-CB 4.13Å; L154-E158 HydrophobicContact CD2-CB 4.25Å; S155-E158 WeakPolarHBondContact CB-OE2 3.32Å; S155-E158 PolarHBondContact N-OE2 3.44Å; S155-E158 PolarHBondContact O-N 2.72Å; S155-E158 WeakPolarHBondContact OG-CG 3.45Å; S155-E158 PolarHBondContact OG-N 2.71Å; S155-E158 PolarHBondContact OG-OE2 3.28Å; E158-K160 PolarHBondContact O-N 3.43Å; E158-T161 VanDerWaalsContact O-CB 3.28Å; E158-T161 WeakPolarHBondContact O-CB 3.3Å; E158-T161 PolarHBondContact O-N 3.31Å; E158-T161 VanDerWaalsContact O-N 3.16Å; E158-Q162 PolarHBondContact O-N 2.65Å; E158-Q162 VanDerWaalsContact O-N 3.11Å; E158-L432 HydrophobicContact CB-CD1 4.38Å; E158-L432 HydrophobicContact CB-CD2 4.17Å; E158-L432 HydrophobicContact CB-CG 4.37Å; E158-L432 HydrophobicContact CG-CD1 4.4Å; E158-L432 HydrophobicContact CG-CD2 3.86Å; E158-L432 HydrophobicContact CG-CG 3.91Å; E158-L432 WeakPolarHBondContact OE1-CD2 3.44Å; E158-K435 IonicContact OE1-NZ 3.19Å; E158-K435 PolarHBondContact OE1-NZ 3.27Å; E158-K435 IonicContact OE2-NZ 2.72Å; E158-L498 HydrophobicContact CG-CD2 4.37Å
159	E	96.7	Very high	95.6	Very high	72 Å²	72	52.8 Å²	52.8	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-60.9	-43.3	173.1	-70	-178.1	-173.4	0	0	112.7	L154 S155 K156 T161 Q162 R163	L154-E159 HydrophobicContact CB-CG 4.07Å; S155-E159 PolarHBondContact O-N 3.11Å; K156-E159 PolarHBondContact O-N 3.3Å; E159-T161 PolarHBondContact O-N 2.85Å; E159-Q162 PolarHBondContact O-N 2.81Å; E159-R163 WeakPolarHBondContact O-CG 3.22Å; E159-R163 PolarHBondContact O-N 2.82Å; E159-R163 IonicContact OE2-CZ 2.93Å; E159-R163 IonicContact OE2-NH2 3.99Å; E159-R163 PolarHBondContact OE2-NH2 3.22Å
160	K	96.8	Very high	96.1	Very high	27 Å²	27	50.1 Å²	50.1	12%	0.117	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-37.8	175.2	-75.1	174.9	-174.8	-166	0	111.2	K156 A157 E158 R163 Y164 F502 N503 F505 V507	K156-K160 VanDerWaalsContact O-CG 3.29Å; K156-K160 WeakPolarHBondContact O-CG 3.35Å; K156-K160 PolarHBondContact O-N 3.16Å; A157-K160 PolarHBondContact O-N 3.22Å; E158-K160 PolarHBondContact O-N 3.43Å; K160-R163 PolarHBondContact O-N 2.58Å; K160-Y164 WeakPolarHBondContact O-CB 3.24Å; K160-Y164 PolarHBondContact O-N 3.33Å; K160-F502 PolarHBondContact NZ-O 3.15Å; K160-N503 PolarHBondContact NZ-O 3.29Å; K160-F505 WeakPolarHBondContact CD-O 3.45Å; K160-F505 WeakPolarHBondContact CE-O 3.23Å; K160-F505 PolarHBondContact NZ-O 2.86Å; K160-V507 HydrophobicContact CB-CG2 4.05Å; K160-V507 HydrophobicContact CG-CG2 4.36Å
161	T	97.3	Very high	96.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-47.4	178	-51.2	0	0	0	0	111.6	L146 A157 E158 E159 Y164 F165 T421 L425 A428 L429	L146-T161 HydrophobicContact CD2-CG2 3.64Å; A157-T161 PolarHBondContact O-N 2.98Å; A157-T161 PolarHBondContact O-OG1 3.08Å; E158-T161 VanDerWaalsContact O-CB 3.28Å; E158-T161 WeakPolarHBondContact O-CB 3.3Å; E158-T161 PolarHBondContact O-N 3.31Å; E158-T161 VanDerWaalsContact O-N 3.16Å; E159-T161 PolarHBondContact O-N 2.85Å; T161-Y164 PolarHBondContact O-N 3.03Å; T161-F165 PolarHBondContact O-N 3.32Å; T161-T421 HydrophobicContact CG2-CG2 3.48Å; T161-T421 VanDerWaalsContact CG2-CG2 3.48Å; T161-L425 VanDerWaalsContact CA-CD1 3.47Å; T161-L425 HydrophobicContact CG2-CB 4.04Å; T161-L425 HydrophobicContact CG2-CD1 4.39Å; T161-A428 VanDerWaalsContact OG1-CB 3.23Å; T161-A428 WeakPolarHBondContact OG1-CB 3.17Å; T161-L429 HydrophobicContact CG2-CB 3.91Å; T161-L429 HydrophobicContact CG2-CD1 4.5Å
162	Q	97.4	Very high	96.6	Very high	20 Å²	20	50.5 Å²	50.5	9%	0.093	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-45.9	174.3	-66.8	-173.7	-34.2	0	0	111.6	L145 N148 E158 E159 Y164 F165 Q166	L145-Q162 PolarHBondContact O-NE2 2.98Å; N148-Q162 PolarHBondContact O-NE2 3.16Å; E158-Q162 PolarHBondContact O-N 2.65Å; E158-Q162 VanDerWaalsContact O-N 3.11Å; E159-Q162 PolarHBondContact O-N 2.81Å; Q162-Y164 VanDerWaalsContact C-N 3.33Å; Q162-Y164 PolarHBondContact O-N 3.16Å; Q162-F165 PolarHBondContact O-N 2.83Å; Q162-Q166 VanDerWaalsContact O-CG 3.31Å; Q162-Q166 WeakPolarHBondContact O-CG 3.28Å; Q162-Q166 PolarHBondContact O-N 3.17Å
163	R	96.9	Very high	97	Very high	114 Å²	114	43.4 Å²	43.4	43%	0.43	23%	0.232	S	C	.	.	H	α-helix	trans	-61.4	-39.1	179.4	-69.8	179.3	-163.6	142.4	15.3	112.9	E159 K160 Q166 A167 V507	E159-R163 WeakPolarHBondContact O-CG 3.22Å; E159-R163 PolarHBondContact O-N 2.82Å; E159-R163 IonicContact OE2-CZ 2.93Å; E159-R163 IonicContact OE2-NH2 3.99Å; E159-R163 PolarHBondContact OE2-NH2 3.22Å; K160-R163 PolarHBondContact O-N 2.58Å; R163-Q166 PolarHBondContact O-N 2.87Å; R163-A167 PolarHBondContact O-N 3.27Å; R163-V507 HydrophobicContact CB-CG1 3.95Å
164	Y	98	Very high	97.3	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-47.3	178.2	-171.5	-84.9	0	0	0	110.8	K160 T161 Q162 Q166 A167 C168 D420 T421 A424 L425 F505 V507 Y512 N515 V516	K160-Y164 WeakPolarHBondContact O-CB 3.24Å; K160-Y164 PolarHBondContact O-N 3.33Å; T161-Y164 PolarHBondContact O-N 3.03Å; Q162-Y164 VanDerWaalsContact C-N 3.33Å; Q162-Y164 PolarHBondContact O-N 3.16Å; Y164-Q166 PolarHBondContact O-N 3.1Å; Y164-A167 PolarHBondContact O-N 2.91Å; Y164-C168 PolarHBondContact O-N 2.72Å; Y164-C168 VanDerWaalsContact O-N 3.12Å; Y164-D420 WeakPolarHBondContact CE1-OD2 3.27Å; Y164-D420 PolarHBondContact OH-OD2 2.98Å; Y164-T421 HydrophobicContact CD1-CG2 4.39Å; Y164-A424 HydrophobicContact CE1-CB 4.08Å; Y164-A424 HydrophobicContact CE2-CB 4.34Å; Y164-L425 HydrophobicContact CG-CD1 4.21Å; Y164-F505 HydrophobicContact CD2-CE1 4.26Å; Y164-F505 AromaticContact CD2-CZ 3.84Å; Y164-F505 HydrophobicContact CD2-CZ 3.84Å; Y164-F505 AromaticContact CE2-CZ 3.84Å; Y164-F505 HydrophobicContact CE2-CZ 3.84Å; Y164-V507 HydrophobicContact CD2-CG1 4.33Å; Y164-V507 HydrophobicContact CD2-CG2 4.27Å; Y164-Y512 HydrophobicContact CE1-CE2 4.08Å; Y164-N515 HydrophobicContact CD2-CB 3.77Å; Y164-N515 HydrophobicContact CE2-CB 3.55Å; Y164-V516 VanDerWaalsContact OH-CG2 3.3Å; Y164-V516 WeakPolarHBondContact OH-CG2 3.41Å
165	F	98.1	Very high	97.4	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-46.4	174.1	172.9	-100	0	0	0	112.1	L146 E147 T161 Q162 A167 C168 M169 W414 C417 V418 T421	L146-F165 HydrophobicContact CB-CB 4.15Å; L146-F165 HydrophobicContact CB-CD1 3.64Å; L146-F165 HydrophobicContact CB-CD2 4.19Å; L146-F165 HydrophobicContact CB-CE1 4.04Å; L146-F165 HydrophobicContact CB-CG 3.72Å; L146-F165 HydrophobicContact CB-CZ 4.48Å; L146-F165 HydrophobicContact CD1-CB 4.21Å; L146-F165 HydrophobicContact CD1-CD2 3.77Å; L146-F165 HydrophobicContact CD1-CE2 4.34Å; L146-F165 HydrophobicContact CD1-CG 3.97Å; L146-F165 HydrophobicContact CD2-CB 4.07Å; L146-F165 HydrophobicContact CD2-CG 4.5Å; L146-F165 HydrophobicContact CG-CB 4.37Å; L146-F165 HydrophobicContact CG-CG 4.28Å; E147-F165 HydrophobicContact CG-CE1 3.71Å; E147-F165 HydrophobicContact CG-CZ 4.16Å; T161-F165 PolarHBondContact O-N 3.32Å; Q162-F165 PolarHBondContact O-N 2.83Å; F165-A167 VanDerWaalsContact C-N 3.34Å; F165-A167 PolarHBondContact O-N 3.29Å; F165-C168 WeakPolarHBondContact O-CB 3.39Å; F165-C168 PolarHBondContact O-N 3.42Å; F165-C168 VanDerWaalsContact O-N 3.16Å; F165-M169 HydrophobicContact CD1-CG 4.13Å; F165-M169 HydrophobicContact CD2-CG 4.29Å; F165-M169 HydrophobicContact CE1-CG 3.67Å; F165-M169 HydrophobicContact CE2-CG 3.84Å; F165-M169 HydrophobicContact CE2-SD 4.06Å; F165-M169 HydrophobicContact CG-CG 4.43Å; F165-M169 HydrophobicContact CZ-CG 3.51Å; F165-M169 HydrophobicContact CZ-SD 3.88Å; F165-M169 WeakPolarHBondContact O-CG 3.48Å; F165-M169 PolarHBondContact O-N 3.45Å; F165-W414 HydrophobicContact CZ-CB 4.46Å; F165-C417 HydrophobicContact CD2-CB 3.67Å; F165-C417 HydrophobicContact CE2-CB 3.68Å; F165-V418 HydrophobicContact CD2-CG2 4.4Å; F165-V418 HydrophobicContact CE2-CG2 3.86Å; F165-T421 HydrophobicContact CB-CG2 4.41Å
166	Q	97.6	Very high	97.4	Very high	80 Å²	80	48.2 Å²	48.2	37%	0.374	23%	0.231	S	C	.	.	H	α-helix	trans	-62.2	-39	178.8	-65.1	-57.1	-34.7	0	0	112.5	L146 Q162 R163 Y164 C168 M169 N170	L146-Q166 PolarHBondContact O-NE2 3.01Å; Q162-Q166 VanDerWaalsContact O-CG 3.31Å; Q162-Q166 WeakPolarHBondContact O-CG 3.28Å; Q162-Q166 PolarHBondContact O-N 3.17Å; R163-Q166 PolarHBondContact O-N 2.87Å; Y164-Q166 PolarHBondContact O-N 3.1Å; Q166-C168 VanDerWaalsContact C-N 3.33Å; Q166-C168 PolarHBondContact O-N 3.26Å; Q166-M169 PolarHBondContact O-N 3.39Å; Q166-N170 PolarHBondContact O-N 2.97Å; Q166-N170 VanDerWaalsContact O-N 3.15Å
167	A	97.8	Very high	97.5	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-40.5	175	0	0	0	0	0	111.8	R163 Y164 F165 M169 N170 N515	R163-A167 PolarHBondContact O-N 3.27Å; Y164-A167 PolarHBondContact O-N 2.91Å; F165-A167 VanDerWaalsContact C-N 3.34Å; F165-A167 PolarHBondContact O-N 3.29Å; A167-M169 VanDerWaalsContact C-N 3.33Å; A167-N170 PolarHBondContact O-N 2.95Å; A167-N515 WeakPolarHBondContact CB-ND2 3.33Å
168	C	97.6	Very high	97.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.7	-34.9	175.2	178.1	0	0	0	0	113.1	Y164 F165 Q166 N170 R413 C417 Y512	Y164-C168 PolarHBondContact O-N 2.72Å; Y164-C168 VanDerWaalsContact O-N 3.12Å; F165-C168 WeakPolarHBondContact O-CB 3.39Å; F165-C168 PolarHBondContact O-N 3.42Å; F165-C168 VanDerWaalsContact O-N 3.16Å; Q166-C168 VanDerWaalsContact C-N 3.33Å; Q166-C168 PolarHBondContact O-N 3.26Å; C168-N170 VanDerWaalsContact C-N 3.33Å; C168-R413 PolarHBondContact O-NE 3.46Å; C168-R413 PolarHBondContact O-NH2 3.37Å; C168-R413 PolarHBondContact SG-NH2 3.48Å; C168-C417 HydrophobicContact CB-CB 3.66Å; C168-C417 WeakPolarHBondContact CB-SG 2.98Å; C168-C417 PolarHBondContact O-SG 3.22Å; C168-C417 WeakPolarHBondContact SG-CA 3.42Å; C168-C417 WeakPolarHBondContact SG-CB 3.23Å; C168-C417 CovalentContact SG-SG 2.04Å; C168-C417 PolarHBondContact SG-SG 3.37Å; C168-Y512 HydrophobicContact CB-CD1 4.41Å; C168-Y512 HydrophobicContact CB-CD2 3.66Å; C168-Y512 HydrophobicContact CB-CE1 4.3Å; C168-Y512 HydrophobicContact CB-CE2 3.57Å; C168-Y512 HydrophobicContact CB-CG 4.1Å; C168-Y512 VanDerWaalsContact SG-CZ 3.55Å
169	M	97.4	Very high	97.5	Very high	51 Å²	51	44.4 Å²	44.4	25%	0.251	22%	0.22	S	C	.	.	H	α-helix	trans	-75.1	-17.3	179.5	-73.8	-59.6	-60.6	0	0	113.9	F165 Q166 A167 E171 R413 W414 C417	F165-M169 HydrophobicContact CD1-CG 4.13Å; F165-M169 HydrophobicContact CD2-CG 4.29Å; F165-M169 HydrophobicContact CE1-CG 3.67Å; F165-M169 HydrophobicContact CE2-CG 3.84Å; F165-M169 HydrophobicContact CE2-SD 4.06Å; F165-M169 HydrophobicContact CG-CG 4.43Å; F165-M169 HydrophobicContact CZ-CG 3.51Å; F165-M169 HydrophobicContact CZ-SD 3.88Å; F165-M169 WeakPolarHBondContact O-CG 3.48Å; F165-M169 PolarHBondContact O-N 3.45Å; Q166-M169 PolarHBondContact O-N 3.39Å; A167-M169 VanDerWaalsContact C-N 3.33Å; M169-E171 PolarHBondContact O-N 2.8Å; M169-R413 HydrophobicContact SD-CG 4.13Å; M169-W414 HydrophobicContact CE-CB 3.99Å; M169-W414 WeakPolarHBondContact SD-CA 3.3Å; M169-W414 HydrophobicContact SD-CB 3.75Å; M169-C417 HydrophobicContact CG-CB 4.25Å; M169-C417 HydrophobicContact SD-CB 3.98Å
170	N	97.1	Very high	97.5	Very high	49 Å²	49	46.8 Å²	46.8	26%	0.262	23%	0.229	S	C	.	.			trans	-78	71.4	178.9	-169.3	-11.5	0	0	0	111.4	Q166 A167 C168 S172 K173 I174 D510	Q166-N170 PolarHBondContact O-N 2.97Å; Q166-N170 VanDerWaalsContact O-N 3.15Å; A167-N170 PolarHBondContact O-N 2.95Å; C168-N170 VanDerWaalsContact C-N 3.33Å; N170-S172 VanDerWaalsContact C-N 3.26Å; N170-S172 PolarHBondContact O-N 3.4Å; N170-K173 HydrophobicContact CB-CB 4.47Å; N170-K173 PolarHBondContact O-N 3.29Å; N170-K173 VanDerWaalsContact O-N 3.16Å; N170-K173 PolarHBondContact OD1-N 2.95Å; N170-I174 PolarHBondContact O-N 3.32Å; N170-D510 PolarHBondContact ND2-OD1 3.45Å
171	E	95.9	Very high	97.6	Very high	81 Å²	81	46.7 Å²	46.7	38%	0.379	23%	0.231	S	C	.	.	H	α-helix	trans	-58.6	-37.1	-179.7	-66.7	179.8	-111.6	0	0	111.9	M169 K173 I174 E175 R413	M169-E171 PolarHBondContact O-N 2.8Å; E171-K173 VanDerWaalsContact C-N 3.26Å; E171-K173 PolarHBondContact O-N 3.5Å; E171-I174 PolarHBondContact O-N 2.83Å; E171-E175 WeakPolarHBondContact O-CB 3.48Å; E171-E175 WeakPolarHBondContact O-CG 3.37Å; E171-E175 PolarHBondContact O-N 2.68Å; E171-R413 HydrophobicContact CG-CB 4.48Å; E171-R413 HydrophobicContact CG-CG 3.81Å; E171-R413 WeakPolarHBondContact OE1-CB 3.44Å
172	S	97.4	Very high	97.6	Very high	99 Å²	99	46.7 Å²	46.7	69%	0.692	23%	0.231	S	C	*	.	H	α-helix	trans	-56.5	-40.6	177.6	-58.2	0	0	0	0	112.4	N170 E176	N170-S172 VanDerWaalsContact C-N 3.26Å; N170-S172 PolarHBondContact O-N 3.4Å; S172-E176 WeakPolarHBondContact O-CB 3.3Å; S172-E176 PolarHBondContact O-N 3.37Å; S172-E176 VanDerWaalsContact O-N 3.08Å
173	K	97.8	Very high	97.6	Very high	53 Å²	53	49.1 Å²	49.1	23%	0.23	24%	0.242	C	C	.	.	H	α-helix	trans	-73.1	-35.2	177.4	-170.6	54	173.1	-178.8	0	112.6	N170 E171 E176 L177 D510	N170-K173 HydrophobicContact CB-CB 4.47Å; N170-K173 PolarHBondContact O-N 3.29Å; N170-K173 VanDerWaalsContact O-N 3.16Å; N170-K173 PolarHBondContact OD1-N 2.95Å; E171-K173 VanDerWaalsContact C-N 3.26Å; E171-K173 PolarHBondContact O-N 3.5Å; K173-E176 VanDerWaalsContact CD-OE2 3.24Å; K173-E176 WeakPolarHBondContact CD-OE2 3.46Å; K173-E176 IonicContact NZ-OE1 2.74Å; K173-E176 PolarHBondContact NZ-OE1 2.87Å; K173-E176 IonicContact NZ-OE2 2.91Å; K173-E176 PolarHBondContact NZ-OE2 2.85Å; K173-E176 PolarHBondContact O-N 3.23Å; K173-L177 HydrophobicContact CG-CD1 4.37Å; K173-L177 WeakPolarHBondContact O-CG 3.34Å; K173-L177 PolarHBondContact O-N 3.38Å; K173-D510 HydrophobicContact CG-CB 4.34Å; K173-D510 VanDerWaalsContact CG-O 3.26Å; K173-D510 WeakPolarHBondContact CG-O 3.45Å
174	I	97.6	Very high	97.6	Very high	14 Å²	14	49 Å²	49	7%	0.072	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-45.8	177.5	-63.9	171.2	0	0	0	110.2	N170 E171 E176 L177 G178 Y512	N170-I174 PolarHBondContact O-N 3.32Å; E171-I174 PolarHBondContact O-N 2.83Å; I174-E176 PolarHBondContact O-N 2.64Å; I174-L177 PolarHBondContact O-N 3.35Å; I174-G178 PolarHBondContact O-N 3.04Å; I174-Y512 HydrophobicContact CD1-CD1 3.87Å; I174-Y512 HydrophobicContact CD1-CG 4.45Å
175	E	97.8	Very high	97.6	Very high	86 Å²	86	50 Å²	50	40%	0.402	25%	0.252	S	S	.	.	H	α-helix	trans	-63.4	-39.3	176	-67.9	-57.8	136.8	0	0	112.3	E171 L177 G178 Q390	E171-E175 WeakPolarHBondContact O-CB 3.48Å; E171-E175 WeakPolarHBondContact O-CG 3.37Å; E171-E175 PolarHBondContact O-N 2.68Å; E175-L177 VanDerWaalsContact C-N 3.3Å; E175-L177 PolarHBondContact O-N 2.98Å; E175-G178 PolarHBondContact O-N 3.15Å; E175-Q390 WeakPolarHBondContact OE1-CB 3.48Å; E175-Q390 PolarHBondContact OE1-N 2.98Å
176	E	98	Very high	97.5	Very high	121 Å²	121	50.2 Å²	50.2	57%	0.565	25%	0.253	S	S	*	.	H	α-helix	trans	-60	-39.9	175.4	-173	-155.7	131.3	0	0	112.2	S172 K173 I174	S172-E176 WeakPolarHBondContact O-CB 3.3Å; S172-E176 PolarHBondContact O-N 3.37Å; S172-E176 VanDerWaalsContact O-N 3.08Å; K173-E176 VanDerWaalsContact CD-OE2 3.24Å; K173-E176 WeakPolarHBondContact CD-OE2 3.46Å; K173-E176 IonicContact NZ-OE1 2.74Å; K173-E176 PolarHBondContact NZ-OE1 2.87Å; K173-E176 IonicContact NZ-OE2 2.91Å; K173-E176 PolarHBondContact NZ-OE2 2.85Å; K173-E176 PolarHBondContact O-N 3.23Å; I174-E176 PolarHBondContact O-N 2.64Å
177	L	97.9	Very high	97.5	Very high	47 Å²	47	50.6 Å²	50.6	25%	0.246	26%	0.264	C	S	.	.	H	α-helix	trans	-78.1	-35.3	-179.4	-69.6	173.9	0	0	0	112.2	K173 I174 E175 A179 K180 P181 L511	K173-L177 HydrophobicContact CG-CD1 4.37Å; K173-L177 WeakPolarHBondContact O-CG 3.34Å; K173-L177 PolarHBondContact O-N 3.38Å; I174-L177 PolarHBondContact O-N 3.35Å; E175-L177 VanDerWaalsContact C-N 3.3Å; E175-L177 PolarHBondContact O-N 2.98Å; L177-A179 PolarHBondContact O-N 2.99Å; L177-K180 WeakPolarHBondContact O-CB 3.44Å; L177-K180 VanDerWaalsContact O-CG 3.31Å; L177-K180 WeakPolarHBondContact O-CG 3.37Å; L177-K180 PolarHBondContact O-N 2.91Å; L177-K180 VanDerWaalsContact O-N 3.16Å; L177-P181 HydrophobicContact CB-CG 3.96Å; L177-P181 HydrophobicContact CD1-CG 4.3Å; L177-L511 HydrophobicContact CD1-CD2 4.24Å
178	G	97.7	Very high	97.4	Very high	9 Å²	9	58.3 Å²	58.3	9%	0.093	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	-133.2	-180	0	0	0	0	0	113	I174 E175 K180 P181 D389	I174-G178 PolarHBondContact O-N 3.04Å; E175-G178 PolarHBondContact O-N 3.15Å; G178-K180 VanDerWaalsContact C-N 3.32Å; G178-K180 PolarHBondContact O-N 3.07Å; G178-P181 WeakPolarHBondContact O-CD 3.36Å; G178-D389 WeakPolarHBondContact CA-OD2 3.41Å
179	A	97.8	Very high	97.2	Very high	7 Å²	7	58.8 Å²	58.8	6%	0.058	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.9	177.8	0	0	0	0	0	114.7	L177 L182 Q183 L275 F392	L177-A179 PolarHBondContact O-N 2.99Å; A179-L182 PolarHBondContact O-N 2.9Å; A179-L182 VanDerWaalsContact O-N 3.13Å; A179-Q183 HydrophobicContact CB-CG 4.32Å; A179-Q183 WeakPolarHBondContact O-CG 3.27Å; A179-Q183 PolarHBondContact O-N 3.37Å; A179-L275 HydrophobicContact CB-CD2 4.38Å; A179-F392 HydrophobicContact CB-CE2 3.82Å; A179-F392 HydrophobicContact CB-CZ 3.8Å
180	K	98.1	Very high	97	Very high	122 Å²	122	56.8 Å²	56.8	53%	0.53	29%	0.293	S	S	.	.	H	α-helix	trans	-56	-45.1	-168.4	-62.3	170.7	-175.1	163.5	0	113.3	L177 G178 L182 Q183 E184	L177-K180 WeakPolarHBondContact O-CB 3.44Å; L177-K180 VanDerWaalsContact O-CG 3.31Å; L177-K180 WeakPolarHBondContact O-CG 3.37Å; L177-K180 PolarHBondContact O-N 2.91Å; L177-K180 VanDerWaalsContact O-N 3.16Å; G178-K180 VanDerWaalsContact C-N 3.32Å; G178-K180 PolarHBondContact O-N 3.07Å; K180-L182 VanDerWaalsContact C-N 3.28Å; K180-L182 PolarHBondContact O-N 2.88Å; K180-Q183 PolarHBondContact O-N 3.5Å; K180-E184 WeakPolarHBondContact O-CB 3.45Å; K180-E184 WeakPolarHBondContact O-CG 3.48Å; K180-E184 PolarHBondContact O-N 2.89Å
181	P	97.7	Very high	96.9	Very high	24 Å²	24	54.7 Å²	54.7	16%	0.156	28%	0.283	C	S	.	.	H	α-helix	trans	-59.4	-38.1	-179.4	-24.3	35.7	0	0	0	113.1	L177 G178 L185 F513	L177-P181 HydrophobicContact CB-CG 3.96Å; L177-P181 HydrophobicContact CD1-CG 4.3Å; G178-P181 WeakPolarHBondContact O-CD 3.36Å; P181-L185 WeakPolarHBondContact O-CB 3.32Å; P181-L185 PolarHBondContact O-N 3.38Å; P181-L185 VanDerWaalsContact O-N 3.12Å; P181-F513 HydrophobicContact CB-CB 4.14Å; P181-F513 HydrophobicContact CB-CD1 3.57Å; P181-F513 HydrophobicContact CB-CD2 3.93Å; P181-F513 HydrophobicContact CB-CE1 3.87Å; P181-F513 HydrophobicContact CB-CE2 4.2Å; P181-F513 HydrophobicContact CB-CG 3.61Å; P181-F513 HydrophobicContact CB-CZ 4.17Å; P181-F513 HydrophobicContact CG-CG 4.48Å
182	L	97.8	Very high	96.9	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-74.8	-40.3	177.1	-179.4	57.8	0	0	0	111.8	A179 K180 E184 L185 I186 L275 V380 V381 M384 L388 F513	A179-L182 PolarHBondContact O-N 2.9Å; A179-L182 VanDerWaalsContact O-N 3.13Å; K180-L182 VanDerWaalsContact C-N 3.28Å; K180-L182 PolarHBondContact O-N 2.88Å; L182-E184 VanDerWaalsContact C-N 3.33Å; L182-E184 PolarHBondContact O-N 3.13Å; L182-L185 HydrophobicContact CD1-CD2 4.3Å; L182-L185 WeakPolarHBondContact O-CB 3.27Å; L182-L185 PolarHBondContact O-N 3.43Å; L182-I186 HydrophobicContact CD1-CD1 4.25Å; L182-I186 HydrophobicContact CD1-CG1 4.19Å; L182-I186 HydrophobicContact CG-CD1 3.97Å; L182-I186 HydrophobicContact CG-CG1 4.39Å; L182-I186 VanDerWaalsContact O-CG1 3.27Å; L182-I186 WeakPolarHBondContact O-CG1 3.33Å; L182-I186 PolarHBondContact O-N 3.29Å; L182-L275 HydrophobicContact CD2-CD1 4.41Å; L182-L275 HydrophobicContact CD2-CD2 3.95Å; L182-L275 HydrophobicContact CG-CD2 4.23Å; L182-V380 HydrophobicContact CD1-CG1 4.5Å; L182-V381 HydrophobicContact CD2-CB 4.39Å; L182-V381 HydrophobicContact CD2-CG1 4.14Å; L182-V381 HydrophobicContact CD2-CG2 4.2Å; L182-M384 HydrophobicContact CD1-CB 4.25Å; L182-M384 HydrophobicContact CD1-CG 4.33Å; L182-L388 HydrophobicContact CB-CD1 4.17Å; L182-L388 HydrophobicContact CB-CD2 4.11Å; L182-L388 HydrophobicContact CD2-CD1 3.61Å; L182-F513 HydrophobicContact CB-CE2 4.07Å; L182-F513 HydrophobicContact CB-CZ 4.24Å; L182-F513 HydrophobicContact CD1-CZ 4.43Å
183	Q	97.9	Very high	96.9	Very high	71 Å²	71	47.4 Å²	47.4	33%	0.332	24%	0.241	S	C	.	.	H	α-helix	trans	-61	-42.4	176.1	-71.1	176.4	-44.2	0	0	111.8	A179 K180 I186 S187 L275	A179-Q183 HydrophobicContact CB-CG 4.32Å; A179-Q183 WeakPolarHBondContact O-CG 3.27Å; A179-Q183 PolarHBondContact O-N 3.37Å; K180-Q183 PolarHBondContact O-N 3.5Å; Q183-I186 PolarHBondContact O-N 3.21Å; Q183-S187 WeakPolarHBondContact O-CB 3.38Å; Q183-S187 PolarHBondContact O-N 2.8Å; Q183-S187 PolarHBondContact O-OG 3.07Å; Q183-L275 HydrophobicContact CG-CD2 4.08Å; Q183-L275 PolarHBondContact NE2-O 3.5Å
184	E	97.4	Very high	96.8	Very high	113 Å²	113	45.2 Å²	45.2	53%	0.528	23%	0.232	S	C	.	.	H	α-helix	trans	-62.8	-41.5	174.1	-73.4	177.9	-160.3	0	0	111.7	K180 L182 S187 K188	K180-E184 WeakPolarHBondContact O-CB 3.45Å; K180-E184 WeakPolarHBondContact O-CG 3.48Å; K180-E184 PolarHBondContact O-N 2.89Å; L182-E184 VanDerWaalsContact C-N 3.33Å; L182-E184 PolarHBondContact O-N 3.13Å; E184-S187 PolarHBondContact O-N 2.93Å; E184-K188 VanDerWaalsContact O-CG 3.32Å; E184-K188 WeakPolarHBondContact O-CG 3.32Å; E184-K188 PolarHBondContact O-N 3.01Å
185	L	97	Very high	96.5	Very high	21 Å²	21	48.4 Å²	48.4	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-46.9	175.5	177.2	60.4	0	0	0	111.6	P181 L182 S187 K188 I189 L214 V380 F513 M517	P181-L185 WeakPolarHBondContact O-CB 3.32Å; P181-L185 PolarHBondContact O-N 3.38Å; P181-L185 VanDerWaalsContact O-N 3.12Å; L182-L185 HydrophobicContact CD1-CD2 4.3Å; L182-L185 WeakPolarHBondContact O-CB 3.27Å; L182-L185 PolarHBondContact O-N 3.43Å; L185-S187 VanDerWaalsContact C-N 3.27Å; L185-S187 PolarHBondContact O-N 2.99Å; L185-K188 PolarHBondContact O-N 3.2Å; L185-K188 VanDerWaalsContact O-N 3.15Å; L185-I189 HydrophobicContact CD1-CD1 3.98Å; L185-I189 HydrophobicContact CD1-CG1 4.24Å; L185-I189 HydrophobicContact CG-CD1 3.88Å; L185-I189 WeakPolarHBondContact O-CD1 3.48Å; L185-I189 VanDerWaalsContact O-CG1 3.3Å; L185-I189 WeakPolarHBondContact O-CG1 3.4Å; L185-I189 PolarHBondContact O-N 3.27Å; L185-L214 HydrophobicContact CD1-CD2 4.2Å; L185-L214 HydrophobicContact CD2-CD1 4.42Å; L185-L214 HydrophobicContact CD2-CD2 4.25Å; L185-V380 HydrophobicContact CD2-CG1 4.18Å; L185-F513 HydrophobicContact CD2-CE1 4.33Å; L185-F513 HydrophobicContact CD2-CZ 3.97Å; L185-M517 HydrophobicContact CD1-CE 3.97Å; L185-M517 HydrophobicContact CD2-CE 4.02Å; L185-M517 HydrophobicContact CD2-SD 3.92Å
186	I	97.3	Very high	96.2	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-58.1	-43.7	176.9	-68.9	168.3	0	0	0	110.4	L182 Q183 K188 I189 G190 G191 W192 L275 I377 V381	L182-I186 HydrophobicContact CD1-CD1 4.25Å; L182-I186 HydrophobicContact CD1-CG1 4.19Å; L182-I186 HydrophobicContact CG-CD1 3.97Å; L182-I186 HydrophobicContact CG-CG1 4.39Å; L182-I186 VanDerWaalsContact O-CG1 3.27Å; L182-I186 WeakPolarHBondContact O-CG1 3.33Å; L182-I186 PolarHBondContact O-N 3.29Å; Q183-I186 PolarHBondContact O-N 3.21Å; I186-K188 VanDerWaalsContact C-N 3.34Å; I186-K188 PolarHBondContact O-N 3.09Å; I186-I189 PolarHBondContact O-N 2.56Å; I186-G190 PolarHBondContact O-N 3.13Å; I186-G191 PolarHBondContact O-N 3.21Å; I186-W192 HydrophobicContact CD1-CZ2 4.15Å; I186-W192 HydrophobicContact CG2-CG 4.16Å; I186-L275 HydrophobicContact CD1-CD1 4.31Å; I186-L275 HydrophobicContact CD1-CD2 4.46Å; I186-I377 HydrophobicContact CD1-CG2 4.12Å; I186-I377 HydrophobicContact CG1-CG2 3.89Å; I186-I377 HydrophobicContact CG2-CG2 3.95Å; I186-V381 HydrophobicContact CD1-CG2 3.9Å
187	S	95.9	Very high	95.9	Very high	87 Å²	87	49.4 Å²	49.4	61%	0.608	27%	0.269	S	S	*	.	H	α-helix	trans	-61.6	-42	177.9	-56.5	0	0	0	0	111.7	Q183 E184 L185 I189 G190	Q183-S187 WeakPolarHBondContact O-CB 3.38Å; Q183-S187 PolarHBondContact O-N 2.8Å; Q183-S187 PolarHBondContact O-OG 3.07Å; E184-S187 PolarHBondContact O-N 2.93Å; L185-S187 VanDerWaalsContact C-N 3.27Å; L185-S187 PolarHBondContact O-N 2.99Å; S187-I189 PolarHBondContact O-N 2.92Å; S187-G190 PolarHBondContact O-N 3.17Å
188	K	95.6	Very high	95.8	Very high	164 Å²	164	48.1 Å²	48.1	71%	0.713	26%	0.261	S	S	*	.	H	α-helix	trans	-66.1	-33.4	177.5	-75.1	171.7	-175.9	169.8	0	113.6	E184 L185 I186	E184-K188 VanDerWaalsContact O-CG 3.32Å; E184-K188 WeakPolarHBondContact O-CG 3.32Å; E184-K188 PolarHBondContact O-N 3.01Å; L185-K188 PolarHBondContact O-N 3.2Å; L185-K188 VanDerWaalsContact O-N 3.15Å; I186-K188 VanDerWaalsContact C-N 3.34Å; I186-K188 PolarHBondContact O-N 3.09Å
189	I	94.9	Very high	95.6	Very high	9 Å²	9	54.7 Å²	54.7	5%	0.046	29%	0.294	C	S	.	.	H	α-helix	trans	-75.3	-30.2	179.4	-63	159.3	0	0	0	111.2	L185 I186 S187 V206 T209 V210 L214 I377 V380	L185-I189 HydrophobicContact CD1-CD1 3.98Å; L185-I189 HydrophobicContact CD1-CG1 4.24Å; L185-I189 HydrophobicContact CG-CD1 3.88Å; L185-I189 WeakPolarHBondContact O-CD1 3.48Å; L185-I189 VanDerWaalsContact O-CG1 3.3Å; L185-I189 WeakPolarHBondContact O-CG1 3.4Å; L185-I189 PolarHBondContact O-N 3.27Å; I186-I189 PolarHBondContact O-N 2.56Å; S187-I189 PolarHBondContact O-N 2.92Å; I189-V206 HydrophobicContact CG2-CB 4.41Å; I189-V206 HydrophobicContact CG2-CG1 3.77Å; I189-V206 HydrophobicContact CG2-CG2 4.3Å; I189-T209 HydrophobicContact CG1-CG2 4.34Å; I189-V210 HydrophobicContact CD1-CG1 4.46Å; I189-V210 HydrophobicContact CG2-CG1 3.97Å; I189-L214 HydrophobicContact CD1-CD1 3.53Å; I189-L214 HydrophobicContact CG1-CD1 4.36Å; I189-I377 HydrophobicContact CB-CD1 4.08Å; I189-I377 HydrophobicContact CD1-CD1 4.3Å; I189-I377 HydrophobicContact CG2-CD1 3.7Å; I189-V380 HydrophobicContact CD1-CG1 4.37Å
190	G	91.8	Very high	95.5	Very high	10 Å²	10	58.7 Å²	58.7	10%	0.103	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	149.8	0.5	178.7	0	0	0	0	0	115.7	I186 S187 W198 K200	I186-G190 PolarHBondContact O-N 3.13Å; S187-G190 PolarHBondContact O-N 3.17Å; G190-W198 PolarHBondContact O-NE1 2.96Å; G190-W198 VanDerWaalsContact O-NE1 3.16Å; G190-K200 PolarHBondContact O-NZ 3.21Å
191	G	95.3	Very high	95.4	Very high	4 Å²	4	59.1 Å²	59.1	4%	0.041	32%	0.318	C	S	.	.			trans	72.1	-175.3	-173.8	0	0	0	0	0	112.5	I186 W198 N373	I186-G191 PolarHBondContact O-N 3.21Å; G191-W198 PolarHBondContact O-NE1 3.41Å; G191-N373 PolarHBondContact O-ND2 3.38Å
192	W	96.7	Very high	95.3	Very high	5 Å²	5	59 Å²	59	2%	0.019	32%	0.316	C	S	.	.			trans	-159.6	165.8	-179.9	65.7	-17.7	0	0	0	111.9	I186 L194 W198 L275 M286 N374 I377 M378 V381	I186-W192 HydrophobicContact CD1-CZ2 4.15Å; I186-W192 HydrophobicContact CG2-CG 4.16Å; W192-L194 HydrophobicContact CD2-CB 3.74Å; W192-L194 HydrophobicContact CD2-CD2 4.44Å; W192-L194 VanDerWaalsContact CE2-CB 3.5Å; W192-L194 HydrophobicContact CE3-CB 4.31Å; W192-L194 HydrophobicContact CG-CB 4.07Å; W192-L194 HydrophobicContact CH2-CB 4.48Å; W192-L194 HydrophobicContact CH2-CD2 3.54Å; W192-L194 HydrophobicContact CZ2-CB 3.94Å; W192-L194 HydrophobicContact CZ2-CD2 3.1Å; W192-L194 HydrophobicContact CZ2-CG 4.14Å; W192-L194 HydrophobicContact CZ3-CD2 4.35Å; W192-L194 PolarHBondContact O-N 3.23Å; W192-L194 VanDerWaalsContact O-N 3.08Å; W192-W198 VanDerWaalsContact CA-CD1 3.46Å; W192-L275 HydrophobicContact CH2-CD1 3.69Å; W192-L275 HydrophobicContact CZ2-CB 4.01Å; W192-L275 HydrophobicContact CZ2-CD1 3.69Å; W192-L275 HydrophobicContact CZ2-CG 4.48Å; W192-M286 HydrophobicContact CH2-CE 4.41Å; W192-M286 HydrophobicContact CZ3-CE 4.24Å; W192-N374 WeakPolarHBondContact CB-OD1 3.45Å; W192-I377 HydrophobicContact CB-CB 4.46Å; W192-I377 HydrophobicContact CB-CG1 4.28Å; W192-I377 HydrophobicContact CB-CG2 4.38Å; W192-I377 HydrophobicContact CD2-CB 4.47Å; W192-I377 HydrophobicContact CD2-CG2 3.72Å; W192-I377 HydrophobicContact CE3-CB 3.96Å; W192-I377 HydrophobicContact CE3-CG2 3.45Å; W192-I377 VanDerWaalsContact CE3-CG2 3.45Å; W192-I377 HydrophobicContact CG-CG2 4.19Å; W192-I377 HydrophobicContact CZ3-CG2 3.89Å; W192-M378 HydrophobicContact CH2-CE 4.03Å; W192-M378 HydrophobicContact CZ3-CE 3.88Å; W192-V381 HydrophobicContact CH2-CG2 4.05Å; W192-V381 HydrophobicContact CZ3-CG2 4.39Å
193	A	96.8	Very high	95.3	Very high	22 Å²	22	60.1 Å²	60.1	18%	0.182	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-7.9	-172.4	0	0	0	0	0	114.7	E196 W198 L285 S370 N374	A193-E196 CarbonylContact C-O 3.59Å; A193-E196 VanDerWaalsContact CA-O 3.31Å; A193-E196 WeakPolarHBondContact CA-O 3.45Å; A193-W198 HydrophobicContact CB-CB 3.97Å; A193-L285 HydrophobicContact CB-CD1 4.04Å; A193-L285 HydrophobicContact CB-CD2 4.47Å; A193-S370 WeakPolarHBondContact CB-OG 3.43Å; A193-N374 WeakPolarHBondContact CB-ND2 3.41Å; A193-N374 PolarHBondContact N-OD1 2.98Å
194	L	95.5	Very high	95.3	Very high	8 Å²	8	59 Å²	59	4%	0.042	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-37.8	-175.9	-172.2	73.2	0	0	0	112.6	W192 G272 L275 T281 L285 M286	W192-L194 HydrophobicContact CD2-CB 3.74Å; W192-L194 HydrophobicContact CD2-CD2 4.44Å; W192-L194 VanDerWaalsContact CE2-CB 3.5Å; W192-L194 HydrophobicContact CE3-CB 4.31Å; W192-L194 HydrophobicContact CG-CB 4.07Å; W192-L194 HydrophobicContact CH2-CB 4.48Å; W192-L194 HydrophobicContact CH2-CD2 3.54Å; W192-L194 HydrophobicContact CZ2-CB 3.94Å; W192-L194 HydrophobicContact CZ2-CD2 3.1Å; W192-L194 HydrophobicContact CZ2-CG 4.14Å; W192-L194 HydrophobicContact CZ3-CD2 4.35Å; W192-L194 PolarHBondContact O-N 3.23Å; W192-L194 VanDerWaalsContact O-N 3.08Å; L194-G272 WeakPolarHBondContact CD2-O 3.42Å; L194-L275 HydrophobicContact CD2-CB 4.29Å; L194-T281 HydrophobicContact CD1-CG2 4.41Å; L194-L285 HydrophobicContact CB-CD1 4.2Å; L194-L285 HydrophobicContact CD1-CD1 4.06Å; L194-M286 HydrophobicContact CD1-CE 4.15Å
195	T	92.3	Very high	95.3	Very high	80 Å²	80	59 Å²	59	49%	0.491	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-22.2	-172.2	51.5	0	0	0	0	113.2
196	E	90.5	Very high	95.3	Very high	94 Å²	94	58 Å²	58	44%	0.439	31%	0.311	S	S	.	.	S	Bend	trans	-151.3	156.8	-178.6	58.5	-179.3	-168.2	0	0	110.5	A193 W198	A193-E196 CarbonylContact C-O 3.59Å; A193-E196 VanDerWaalsContact CA-O 3.31Å; A193-E196 WeakPolarHBondContact CA-O 3.45Å; E196-W198 PolarHBondContact O-N 3.3Å
197	P	91.6	Very high	95.4	Very high	135 Å²	135	57.8 Å²	57.8	88%	0.877	31%	0.309	S	S	*	.			trans	-54.5	130.3	169.8	-24.1	34.4	0	0	0	111
198	W	95.7	Very high	95.4	Very high	19 Å²	19	56.3 Å²	56.3	7%	0.072	29%	0.29	C	S	.	.			trans	-128.2	118.8	-174.6	-166	100.3	0	0	0	111.2	G190 G191 W192 A193 E196 K200 N202 K369 S370 N373	G190-W198 PolarHBondContact O-NE1 2.96Å; G190-W198 VanDerWaalsContact O-NE1 3.16Å; G191-W198 PolarHBondContact O-NE1 3.41Å; W192-W198 VanDerWaalsContact CA-CD1 3.46Å; A193-W198 HydrophobicContact CB-CB 3.97Å; E196-W198 PolarHBondContact O-N 3.3Å; W198-K200 HydrophobicContact CH2-CB 4.17Å; W198-K200 WeakPolarHBondContact CH2-O 3.35Å; W198-K200 HydrophobicContact CZ2-CB 3.86Å; W198-K200 WeakPolarHBondContact CZ3-O 3.46Å; W198-N202 WeakPolarHBondContact CH2-OD1 3.39Å; W198-N202 WeakPolarHBondContact CZ2-OD1 3.2Å; W198-K369 HydrophobicContact CZ3-CB 4.15Å; W198-K369 WeakPolarHBondContact CZ3-O 3.35Å; W198-S370 VanDerWaalsContact CE3-CA 3.48Å; W198-N373 HydrophobicContact CD2-CB 4.32Å; W198-N373 VanDerWaalsContact CE2-CG 3.41Å; W198-N373 VanDerWaalsContact CE2-ND2 3.27Å; W198-N373 HydrophobicContact CE3-CB 4.29Å; W198-N373 HydrophobicContact CH2-CB 3.36Å; W198-N373 HydrophobicContact CZ2-CB 3.35Å; W198-N373 WeakPolarHBondContact CZ2-OD1 3.39Å; W198-N373 HydrophobicContact CZ3-CB 3.86Å; W198-N373 PolarHBondContact NE1-ND2 2.99Å
199	D	94.5	Very high	95.4	Very high	147 Å²	147	50.6 Å²	50.6	79%	0.786	27%	0.269	S	S	*	.			trans	-150.5	48.9	178.5	-169.7	28	0	0	0	111.1
200	K	95.5	Very high	95.4	Very high	91 Å²	91	50.1 Å²	50.1	40%	0.396	27%	0.267	S	S	.	.			trans	-90.4	144.9	-179.1	-63.5	177.7	-173.2	168.1	0	110.5	G190 W198 N202	G190-K200 PolarHBondContact O-NZ 3.21Å; W198-K200 HydrophobicContact CH2-CB 4.17Å; W198-K200 WeakPolarHBondContact CH2-O 3.35Å; W198-K200 HydrophobicContact CZ2-CB 3.86Å; W198-K200 WeakPolarHBondContact CZ3-O 3.46Å; K200-N202 PolarHBondContact O-N 3.34Å
201	D	94.9	Very high	95.5	Very high	131 Å²	131	50 Å²	50	70%	0.701	27%	0.265	S	S	*	.	S	Bend	trans	-96.4	61.3	174.2	-161.2	16.9	0	0	0	112	K369	D201-K369 IonicContact OD1-NZ 2.72Å; D201-K369 PolarHBondContact OD1-NZ 3.46Å; D201-K369 IonicContact OD2-NZ 3.2Å; D201-K369 PolarHBondContact OD2-NZ 3.43Å
202	N	96.6	Very high	95.4	Very high	21 Å²	21	50.3 Å²	50.3	11%	0.112	27%	0.266	C	S	.	.			trans	-125.4	20.9	-171.7	68.6	-15.9	0	0	0	113.4	W198 K200 Q204 E205 V206	W198-N202 WeakPolarHBondContact CH2-OD1 3.39Å; W198-N202 WeakPolarHBondContact CZ2-OD1 3.2Å; K200-N202 PolarHBondContact O-N 3.34Å; N202-Q204 VanDerWaalsContact C-N 3.32Å; N202-Q204 PolarHBondContact O-N 3.37Å; N202-E205 HydrophobicContact CB-CB 4.44Å; N202-E205 PolarHBondContact O-N 3.4Å; N202-V206 HydrophobicContact CB-CG2 4.46Å; N202-V206 WeakPolarHBondContact ND2-CG2 3.43Å; N202-V206 WeakPolarHBondContact O-CG2 3.34Å; N202-V206 PolarHBondContact O-N 2.72Å
203	F	97.9	Very high	94.9	Very high	25 Å²	25	52.4 Å²	52.4	11%	0.11	28%	0.282	C	S	.	.	H	α-helix	trans	-49.3	-49.4	-176.4	172	-97.1	0	0	0	113	E205 V206 L207 F219 I328 I364 L372 M376	F203-E205 PolarHBondContact O-N 3.43Å; F203-V206 PolarHBondContact O-N 3.15Å; F203-L207 HydrophobicContact CE1-CD2 3.98Å; F203-L207 HydrophobicContact CZ-CD2 4.04Å; F203-L207 VanDerWaalsContact O-CB 3.24Å; F203-L207 WeakPolarHBondContact O-CB 3.32Å; F203-L207 PolarHBondContact O-N 3.34Å; F203-F219 AromaticContact CE2-CE2 3.55Å; F203-F219 HydrophobicContact CE2-CE2 3.55Å; F203-F219 AromaticContact CE2-CZ 3.9Å; F203-F219 HydrophobicContact CE2-CZ 3.9Å; F203-F219 HydrophobicContact CZ-CD2 4.29Å; F203-F219 AromaticContact CZ-CE2 3.74Å; F203-F219 HydrophobicContact CZ-CE2 3.74Å; F203-F219 HydrophobicContact CZ-CZ 4.41Å; F203-I328 HydrophobicContact CE1-CD1 3.99Å; F203-I328 HydrophobicContact CZ-CD1 4.26Å; F203-I364 HydrophobicContact CE1-CG2 4.03Å; F203-I364 HydrophobicContact CE2-CG2 3.96Å; F203-I364 HydrophobicContact CZ-CD1 4.22Å; F203-I364 HydrophobicContact CZ-CG2 3.54Å; F203-L372 HydrophobicContact CD2-CB 4.02Å; F203-L372 HydrophobicContact CD2-CD1 3.96Å; F203-L372 HydrophobicContact CE2-CB 4.11Å; F203-L372 HydrophobicContact CE2-CD1 3.99Å; F203-L372 HydrophobicContact CE2-CD2 4.44Å; F203-L372 HydrophobicContact CE2-CG 4.42Å; F203-M376 HydrophobicContact CD2-CE 3.64Å; F203-M376 HydrophobicContact CD2-SD 4.48Å; F203-M376 HydrophobicContact CE2-CE 3.94Å; F203-M376 HydrophobicContact CE2-SD 4.26Å
204	Q	97.8	Very high	94.6	Very high	48 Å²	48	51.6 Å²	51.6	22%	0.224	27%	0.274	C	S	.	.	H	α-helix	trans	-65.1	-40.2	-178.8	-60.3	-64.8	-13.9	0	0	112.1	N202 L207 R208 V327 D329	N202-Q204 VanDerWaalsContact C-N 3.32Å; N202-Q204 PolarHBondContact O-N 3.37Å; Q204-L207 PolarHBondContact O-N 3.05Å; Q204-R208 WeakPolarHBondContact O-CB 3.23Å; Q204-R208 VanDerWaalsContact O-CG 3.25Å; Q204-R208 WeakPolarHBondContact O-CG 3.38Å; Q204-R208 PolarHBondContact O-N 3.42Å; Q204-V327 PolarHBondContact NE2-O 3.29Å; Q204-D329 HydrophobicContact CG-CB 4.23Å
205	E	97.3	Very high	94.4	Very high	113 Å²	113	54.4 Å²	54.4	53%	0.528	28%	0.284	S	S	.	.	H	α-helix	trans	-65.9	-45.9	179.5	-177	-176.8	-179.3	0	0	111.3	N202 F203 R208 T209	N202-E205 HydrophobicContact CB-CB 4.44Å; N202-E205 PolarHBondContact O-N 3.4Å; F203-E205 PolarHBondContact O-N 3.43Å; E205-R208 PolarHBondContact O-N 3.46Å; E205-T209 WeakPolarHBondContact O-CB 3.44Å; E205-T209 PolarHBondContact O-N 2.99Å; E205-T209 PolarHBondContact O-OG1 3Å
206	V	97.9	Very high	94.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-48.8	176	175.8	0	0	0	0	109.8	I189 N202 F203 R208 T209 V210 M376	I189-V206 HydrophobicContact CG2-CB 4.41Å; I189-V206 HydrophobicContact CG2-CG1 3.77Å; I189-V206 HydrophobicContact CG2-CG2 4.3Å; N202-V206 HydrophobicContact CB-CG2 4.46Å; N202-V206 WeakPolarHBondContact ND2-CG2 3.43Å; N202-V206 WeakPolarHBondContact O-CG2 3.34Å; N202-V206 PolarHBondContact O-N 2.72Å; F203-V206 PolarHBondContact O-N 3.15Å; V206-R208 VanDerWaalsContact C-N 3.34Å; V206-R208 PolarHBondContact O-N 3.41Å; V206-T209 PolarHBondContact O-N 3.44Å; V206-V210 HydrophobicContact CG1-CG1 4.15Å; V206-V210 WeakPolarHBondContact O-CG1 3.46Å; V206-V210 WeakPolarHBondContact O-CG2 3.3Å; V206-V210 PolarHBondContact O-N 3.28Å; V206-M376 HydrophobicContact CB-CE 3.84Å; V206-M376 HydrophobicContact CB-SD 4.43Å; V206-M376 HydrophobicContact CG1-CB 4.13Å; V206-M376 HydrophobicContact CG1-CE 3.55Å; V206-M376 HydrophobicContact CG1-SD 3.91Å
207	L	98.2	Very high	94.7	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-57.1	-45.3	179.7	178	60.2	0	0	0	112.1	F203 Q204 V210 S211 P218 F219 F220 I328 Y333 M376	F203-L207 HydrophobicContact CE1-CD2 3.98Å; F203-L207 HydrophobicContact CZ-CD2 4.04Å; F203-L207 VanDerWaalsContact O-CB 3.24Å; F203-L207 WeakPolarHBondContact O-CB 3.32Å; F203-L207 PolarHBondContact O-N 3.34Å; Q204-L207 PolarHBondContact O-N 3.05Å; L207-V210 WeakPolarHBondContact O-CG2 3.43Å; L207-S211 VanDerWaalsContact O-CB 3.24Å; L207-S211 WeakPolarHBondContact O-CB 3.45Å; L207-S211 PolarHBondContact O-N 2.86Å; L207-S211 VanDerWaalsContact O-N 3.12Å; L207-S211 PolarHBondContact O-OG 3.25Å; L207-P218 HydrophobicContact CD1-CG 3.57Å; L207-F219 HydrophobicContact CD1-CD2 3.94Å; L207-F219 HydrophobicContact CD1-CE2 4.21Å; L207-F220 HydrophobicContact CD2-CZ 4.22Å; L207-I328 HydrophobicContact CD2-CD1 3.73Å; L207-I328 HydrophobicContact CD2-CG2 4.44Å; L207-Y333 HydrophobicContact CD1-CE2 4.25Å; L207-Y333 HydrophobicContact CD2-CD2 4.31Å; L207-Y333 HydrophobicContact CD2-CE2 4.35Å; L207-Y333 HydrophobicContact CG-CD2 4.06Å; L207-Y333 HydrophobicContact CG-CE2 3.83Å; L207-M376 HydrophobicContact CB-SD 3.89Å; L207-M376 HydrophobicContact CD1-SD 4.16Å
208	R	96.2	Very high	95	Very high	55 Å²	55	41.4 Å²	41.4	21%	0.208	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-49.7	175.6	-74.7	-168.8	-61.7	-101.3	0.1	111.8	Q204 E205 V206 V210 S211 A212 D329 P332 Y333 E336	Q204-R208 WeakPolarHBondContact O-CB 3.23Å; Q204-R208 VanDerWaalsContact O-CG 3.25Å; Q204-R208 WeakPolarHBondContact O-CG 3.38Å; Q204-R208 PolarHBondContact O-N 3.42Å; E205-R208 PolarHBondContact O-N 3.46Å; V206-R208 VanDerWaalsContact C-N 3.34Å; V206-R208 PolarHBondContact O-N 3.41Å; R208-V210 PolarHBondContact O-N 3.2Å; R208-S211 PolarHBondContact O-N 3.12Å; R208-A212 VanDerWaalsContact O-CB 3.29Å; R208-A212 WeakPolarHBondContact O-CB 3.29Å; R208-A212 PolarHBondContact O-N 3.39Å; R208-D329 IonicContact NH1-OD2 3.78Å; R208-P332 WeakPolarHBondContact CD-O 3.45Å; R208-Y333 HydrophobicContact CG-CD2 3.94Å; R208-Y333 HydrophobicContact CG-CG 4.49Å; R208-E336 HydrophobicContact CB-CB 4.41Å; R208-E336 HydrophobicContact CB-CG 4.3Å
209	T	95	Very high	95.1	Very high	44 Å²	44	40.6 Å²	40.6	27%	0.27	21%	0.207	S	C	.	.	H	α-helix	trans	-60.5	-48.5	-177.6	-57.5	0	0	0	0	111.6	I189 E205 V206 S211 S213	I189-T209 HydrophobicContact CG1-CG2 4.34Å; E205-T209 WeakPolarHBondContact O-CB 3.44Å; E205-T209 PolarHBondContact O-N 2.99Å; E205-T209 PolarHBondContact O-OG1 3Å; V206-T209 PolarHBondContact O-N 3.44Å; T209-S211 VanDerWaalsContact C-N 3.31Å; T209-S211 PolarHBondContact O-N 2.6Å; T209-S213 WeakPolarHBondContact O-CB 3.25Å; T209-S213 PolarHBondContact O-N 2.97Å
210	V	95.3	Very high	95.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.5	-32.2	-179.5	-55.9	0	0	0	0	112	I189 V206 L207 R208 L214 R215 T216 P218 V380	I189-V210 HydrophobicContact CD1-CG1 4.46Å; I189-V210 HydrophobicContact CG2-CG1 3.97Å; V206-V210 HydrophobicContact CG1-CG1 4.15Å; V206-V210 WeakPolarHBondContact O-CG1 3.46Å; V206-V210 WeakPolarHBondContact O-CG2 3.3Å; V206-V210 PolarHBondContact O-N 3.28Å; L207-V210 WeakPolarHBondContact O-CG2 3.43Å; R208-V210 PolarHBondContact O-N 3.2Å; V210-L214 HydrophobicContact CB-CD1 4.4Å; V210-L214 HydrophobicContact CG1-CD1 4.2Å; V210-L214 CarbonylContact O-C 3.6Å; V210-L214 WeakPolarHBondContact O-CB 3.49Å; V210-L214 PolarHBondContact O-N 3.34Å; V210-R215 PolarHBondContact O-N 2.89Å; V210-T216 PolarHBondContact O-N 2.89Å; V210-P218 HydrophobicContact CG2-CG 4.29Å; V210-V380 HydrophobicContact CB-CG2 3.98Å; V210-V380 HydrophobicContact CG1-CG2 3.66Å
211	S	94.9	Very high	95.3	Very high	8 Å²	8	31.1 Å²	31.1	6%	0.056	16%	0.162	C	C	.	.	H	α-helix	trans	-75	-48.3	178.8	-58.6	0	0	0	0	112.4	L207 R208 T209 R215 T216 Y333	L207-S211 VanDerWaalsContact O-CB 3.24Å; L207-S211 WeakPolarHBondContact O-CB 3.45Å; L207-S211 PolarHBondContact O-N 2.86Å; L207-S211 VanDerWaalsContact O-N 3.12Å; L207-S211 PolarHBondContact O-OG 3.25Å; R208-S211 PolarHBondContact O-N 3.12Å; T209-S211 VanDerWaalsContact C-N 3.31Å; T209-S211 PolarHBondContact O-N 2.6Å; S211-R215 WeakPolarHBondContact O-CA 3.44Å; S211-R215 PolarHBondContact O-N 2.93Å; S211-T216 WeakPolarHBondContact CA-O 3.31Å; S211-T216 PolarHBondContact OG-O 3.31Å; S211-Y333 WeakPolarHBondContact CB-OH 3.47Å; S211-Y333 VanDerWaalsContact OG-CE2 3.29Å; S211-Y333 WeakPolarHBondContact OG-CE2 3.4Å; S211-Y333 PolarHBondContact OG-OH 3.37Å
212	A	92.1	Very high	95.5	Very high	9 Å²	9	25.3 Å²	25.3	7%	0.074	13%	0.132	C	C	.	.	H	α-helix	trans	-77.6	-55.2	-175	0	0	0	0	0	112.1	R208 E336 V337	R208-A212 VanDerWaalsContact O-CB 3.29Å; R208-A212 WeakPolarHBondContact O-CB 3.29Å; R208-A212 PolarHBondContact O-N 3.39Å; A212-E336 HydrophobicContact CB-CB 4.42Å; A212-E336 HydrophobicContact CB-CG 3.77Å; A212-V337 HydrophobicContact CB-CG2 4.16Å
213	S	87.2	Confident	95.4	Very high	49 Å²	49	27 Å²	27	34%	0.343	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-30.9	-172	-50	0	0	0	0	113.4	T209	T209-S213 WeakPolarHBondContact O-CB 3.25Å; T209-S213 PolarHBondContact O-N 2.97Å
214	L	90.4	Very high	95.3	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.031	14%	0.137	C	C	.	.	S	Bend	trans	-109	-5.3	-174.6	-46.8	178.7	0	0	0	113.3	L185 I189 V210 T216 V380 K383 M517	L185-L214 HydrophobicContact CD1-CD2 4.2Å; L185-L214 HydrophobicContact CD2-CD1 4.42Å; L185-L214 HydrophobicContact CD2-CD2 4.25Å; I189-L214 HydrophobicContact CD1-CD1 3.53Å; I189-L214 HydrophobicContact CG1-CD1 4.36Å; V210-L214 HydrophobicContact CB-CD1 4.4Å; V210-L214 HydrophobicContact CG1-CD1 4.2Å; V210-L214 CarbonylContact O-C 3.6Å; V210-L214 WeakPolarHBondContact O-CB 3.49Å; V210-L214 PolarHBondContact O-N 3.34Å; L214-T216 PolarHBondContact O-N 2.72Å; L214-T216 PolarHBondContact O-OG1 3.48Å; L214-V380 HydrophobicContact CD1-CB 4.36Å; L214-V380 HydrophobicContact CD1-CG1 3.72Å; L214-V380 HydrophobicContact CD1-CG2 3.63Å; L214-K383 PolarHBondContact O-NZ 3.43Å; L214-M517 HydrophobicContact CD2-CE 3.09Å; L214-M517 HydrophobicContact CD2-SD 3.74Å
215	R	91.3	Very high	95.2	Very high	66 Å²	66	26.6 Å²	26.6	25%	0.249	14%	0.143	C	C	.	.			trans	54.8	40.6	-179.9	-63.8	-73.7	-72.1	-158.5	-6.7	112	V210 S211 K383 A524 T527	V210-R215 PolarHBondContact O-N 2.89Å; S211-R215 WeakPolarHBondContact O-CA 3.44Å; S211-R215 PolarHBondContact O-N 2.93Å; R215-K383 VanDerWaalsContact C-NZ 3.33Å; R215-K383 PolarHBondContact O-NZ 3.29Å; R215-A524 HydrophobicContact CG-CB 4.2Å; R215-T527 PolarHBondContact NH2-OG1 3.5Å
216	T	93.5	Very high	95.2	Very high	7 Å²	7	21.7 Å²	21.7	4%	0.043	12%	0.12	C	C	.	.			trans	-106.5	132.8	179.6	-62.5	0	0	0	0	109.6	V210 S211 L214 P218 K379 V380	V210-T216 PolarHBondContact O-N 2.89Å; S211-T216 WeakPolarHBondContact CA-O 3.31Å; S211-T216 PolarHBondContact OG-O 3.31Å; L214-T216 PolarHBondContact O-N 2.72Å; L214-T216 PolarHBondContact O-OG1 3.48Å; T216-P218 VanDerWaalsContact O-CD 3.24Å; T216-P218 WeakPolarHBondContact O-CD 3.42Å; T216-K379 HydrophobicContact CG2-CB 3.53Å; T216-V380 HydrophobicContact CG2-CG2 4.42Å
217	S	95.5	Very high	95.2	Very high	29 Å²	29	22.1 Å²	22.1	20%	0.203	12%	0.123	C	C	.	.			trans	-111.2	89.3	-179.2	-63.2	0	0	0	0	109.2	F220 T221 S241	S217-F220 VanDerWaalsContact CB-O 3.28Å; S217-F220 WeakPolarHBondContact CB-O 3.47Å; S217-T221 PolarHBondContact OG-OG1 3.46Å; S217-S241 WeakPolarHBondContact CB-OG 3.19Å; S217-S241 PolarHBondContact O-OG 2.72Å
218	P	96.4	Very high	95.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.124	C	C	.	.	S	Bend	trans	-69.8	-51	-177.2	24.5	-31.5	0	0	0	111.8	L207 V210 T216 Y375 M376 K379	L207-P218 HydrophobicContact CD1-CG 3.57Å; V210-P218 HydrophobicContact CG2-CG 4.29Å; T216-P218 VanDerWaalsContact O-CD 3.24Å; T216-P218 WeakPolarHBondContact O-CD 3.42Å; P218-Y375 HydrophobicContact CB-CD1 4.25Å; P218-Y375 HydrophobicContact CB-CE1 4.03Å; P218-Y375 VanDerWaalsContact O-CE1 3.3Å; P218-Y375 WeakPolarHBondContact O-CE1 3.25Å; P218-Y375 PolarHBondContact O-OH 3.1Å; P218-M376 HydrophobicContact CB-CG 3.83Å; P218-M376 HydrophobicContact CG-CG 3.9Å; P218-M376 HydrophobicContact CG-SD 4.35Å; P218-K379 HydrophobicContact CB-CG 4.37Å
219	F	98.3	Very high	95.3	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	13%	0.134	C	C	.	.	S	Bend	trans	-108.8	-33.7	-171.2	-52.6	-66.7	0	0	0	113.6	F203 L207 F292 Y356 V360 I364 L372 Y375 M376	F203-F219 AromaticContact CE2-CE2 3.55Å; F203-F219 HydrophobicContact CE2-CE2 3.55Å; F203-F219 AromaticContact CE2-CZ 3.9Å; F203-F219 HydrophobicContact CE2-CZ 3.9Å; F203-F219 HydrophobicContact CZ-CD2 4.29Å; F203-F219 AromaticContact CZ-CE2 3.74Å; F203-F219 HydrophobicContact CZ-CE2 3.74Å; F203-F219 HydrophobicContact CZ-CZ 4.41Å; L207-F219 HydrophobicContact CD1-CD2 3.94Å; L207-F219 HydrophobicContact CD1-CE2 4.21Å; F219-F292 HydrophobicContact CD1-CE1 4.24Å; F219-F292 HydrophobicContact CD1-CZ 4.17Å; F219-F292 AromaticContact CE1-CE1 3.78Å; F219-F292 HydrophobicContact CE1-CE1 3.78Å; F219-F292 AromaticContact CE1-CZ 3.67Å; F219-F292 HydrophobicContact CE1-CZ 3.67Å; F219-Y356 WeakPolarHBondContact O-CE1 3.49Å; F219-Y356 PolarHBondContact O-OH 2.87Å; F219-V360 HydrophobicContact CB-CG1 3.86Å; F219-I364 HydrophobicContact CB-CD1 4.16Å; F219-I364 HydrophobicContact CD1-CD1 4.13Å; F219-I364 HydrophobicContact CD1-CG1 4.17Å; F219-I364 HydrophobicContact CD2-CD1 3.98Å; F219-I364 HydrophobicContact CE1-CG1 4.27Å; F219-I364 HydrophobicContact CE2-CD1 4.44Å; F219-I364 HydrophobicContact CG-CD1 3.82Å; F219-I364 HydrophobicContact CG-CG1 4.36Å; F219-L372 HydrophobicContact CE1-CD2 3.98Å; F219-L372 HydrophobicContact CZ-CD2 3.86Å; F219-Y375 HydrophobicContact CD1-CD1 4.19Å; F219-Y375 HydrophobicContact CD1-CE1 4.02Å; F219-Y375 AromaticContact CE1-CD1 3.52Å; F219-Y375 HydrophobicContact CE1-CD1 3.52Å; F219-Y375 AromaticContact CE1-CE1 3.84Å; F219-Y375 HydrophobicContact CE1-CE1 3.84Å; F219-Y375 AromaticContact CZ-CD1 4Å; F219-Y375 HydrophobicContact CZ-CD1 4Å; F219-M376 HydrophobicContact CE2-CG 3.79Å; F219-M376 HydrophobicContact CE2-SD 3.78Å; F219-M376 HydrophobicContact CZ-CG 3.89Å; F219-M376 HydrophobicContact CZ-SD 4.34Å
220	F	98.3	Very high	95.4	Very high	3 Å²	3	25 Å²	25	1%	0.013	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	158.1	179.2	48.2	-94.2	0	0	0	107.8	L207 S217 V222 V238 D239 I328 W330 Y333 L357	L207-F220 HydrophobicContact CD2-CZ 4.22Å; S217-F220 VanDerWaalsContact CB-O 3.28Å; S217-F220 WeakPolarHBondContact CB-O 3.47Å; F220-V222 HydrophobicContact CD2-CG2 3.77Å; F220-V222 HydrophobicContact CE2-CG2 3.93Å; F220-V238 HydrophobicContact CD2-CG1 4.38Å; F220-D239 CarbonylContact C-O 3.59Å; F220-D239 WeakPolarHBondContact CA-O 3.33Å; F220-D239 WeakPolarHBondContact CB-O 3.34Å; F220-I328 HydrophobicContact CE1-CD1 3.81Å; F220-I328 HydrophobicContact CE1-CG1 3.83Å; F220-I328 HydrophobicContact CZ-CD1 4.15Å; F220-I328 HydrophobicContact CZ-CG1 4.07Å; F220-I328 HydrophobicContact CZ-CG2 4Å; F220-W330 HydrophobicContact CD2-CH2 4.07Å; F220-W330 HydrophobicContact CD2-CZ3 4.34Å; F220-W330 HydrophobicContact CE1-CH2 4.31Å; F220-W330 AromaticContact CE2-CH2 3.75Å; F220-W330 HydrophobicContact CE2-CH2 3.75Å; F220-W330 AromaticContact CE2-CZ3 3.79Å; F220-W330 HydrophobicContact CE2-CZ3 3.79Å; F220-W330 HydrophobicContact CG-CH2 4.48Å; F220-W330 AromaticContact CZ-CH2 3.89Å; F220-W330 HydrophobicContact CZ-CH2 3.89Å; F220-W330 HydrophobicContact CZ-CZ3 4.16Å; F220-Y333 AromaticContact CE2-CE1 3.91Å; F220-Y333 HydrophobicContact CE2-CE1 3.91Å; F220-Y333 HydrophobicContact CE2-CE2 4.32Å; F220-Y333 AromaticContact CE2-CZ 3.75Å; F220-L357 HydrophobicContact CB-CD2 3.8Å; F220-L357 HydrophobicContact CD1-CD2 4.32Å; F220-L357 HydrophobicContact CG-CD2 4.16Å
221	T	97.4	Very high	95.5	Very high	36 Å²	36	25.5 Å²	25.5	22%	0.221	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	142.4	174.5	-168.9	0	0	0	0	110.4	S217 F223 V238 D239	S217-T221 PolarHBondContact OG-OG1 3.46Å; T221-F223 HydrophobicContact CG2-CD1 4.08Å; T221-F223 HydrophobicContact CG2-CE1 4.03Å; T221-V238 WeakPolarHBondContact O-CA 3.21Å; T221-D239 HydrophobicContact CG2-CB 3.75Å; T221-D239 PolarHBondContact N-O 3.3Å; T221-D239 PolarHBondContact O-N 2.84Å
222	V	97.3	Very high	95.6	Very high	10 Å²	10	30.7 Å²	30.7	6%	0.061	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.6	175.2	-178.7	0	0	0	0	108.3	F220 I236 Q237 V238 Y333 L334 F338	F220-V222 HydrophobicContact CD2-CG2 3.77Å; F220-V222 HydrophobicContact CE2-CG2 3.93Å; V222-I236 HydrophobicContact CG1-CG2 3.86Å; V222-Q237 VanDerWaalsContact CA-O 3.3Å; V222-Q237 WeakPolarHBondContact CA-O 3.32Å; V222-V238 HydrophobicContact CG2-CG1 4.38Å; V222-V238 HydrophobicContact CG2-CG2 4Å; V222-Y333 HydrophobicContact CB-CE1 4.12Å; V222-Y333 HydrophobicContact CG2-CE1 3.62Å; V222-L334 HydrophobicContact CG1-CD2 3.87Å; V222-F338 HydrophobicContact CG1-CE2 3.69Å; V222-F338 HydrophobicContact CG1-CZ 3.74Å
223	F	95.7	Very high	95.8	Very high	56 Å²	56	32.5 Å²	32.5	25%	0.246	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	174.6	-177.3	61.8	-83.2	0	0	0	111.1	T221 Q237 D239 Y352	T221-F223 HydrophobicContact CG2-CD1 4.08Å; T221-F223 HydrophobicContact CG2-CE1 4.03Å; F223-Q237 HydrophobicContact CD1-CB 4.32Å; F223-Q237 HydrophobicContact CD2-CB 4.18Å; F223-Q237 HydrophobicContact CE1-CB 3.94Å; F223-Q237 HydrophobicContact CE2-CB 3.81Å; F223-Q237 HydrophobicContact CE2-CG 4.2Å; F223-Q237 HydrophobicContact CG-CB 4.42Å; F223-Q237 HydrophobicContact CZ-CB 3.67Å; F223-Q237 HydrophobicContact CZ-CG 4.43Å; F223-Q237 PolarHBondContact N-O 3.31Å; F223-Q237 PolarHBondContact O-N 2.93Å; F223-D239 HydrophobicContact CE1-CB 4.47Å; F223-Y352 HydrophobicContact CZ-CE2 4.27Å
224	V	96	Very high	96.4	Very high	16 Å²	16	31.2 Å²	31.2	10%	0.097	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.6	175.1	168.1	0	0	0	0	107.7	N234 I236 F338 T527 Q530 L531	V224-N234 HydrophobicContact CG1-CB 3.81Å; V224-I236 HydrophobicContact CG2-CG1 4.42Å; V224-F338 HydrophobicContact CB-CE1 4.32Å; V224-F338 HydrophobicContact CG2-CD1 3.9Å; V224-F338 HydrophobicContact CG2-CE1 3.19Å; V224-F338 HydrophobicContact CG2-CZ 3.62Å; V224-T527 HydrophobicContact CB-CG2 4.17Å; V224-Q530 HydrophobicContact CG1-CB 4.27Å; V224-L531 HydrophobicContact CG1-CB 4.17Å; V224-L531 HydrophobicContact CG1-CD1 4.4Å; V224-L531 HydrophobicContact CG2-CB 4.05Å; V224-L531 HydrophobicContact CG2-CD1 4.06Å; V224-L531 HydrophobicContact CG2-CG 4.43Å
225	S	95.3	Very high	96.7	Very high	49 Å²	49	31 Å²	31	34%	0.343	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	176.6	172.1	-168.5	0	0	0	0	109.2	N234 V235	S225-N234 VanDerWaalsContact C-OD1 3.25Å; S225-N234 CarbonylContact O-C 3.52Å; S225-N234 WeakPolarHBondContact O-CA 3.47Å; S225-N234 PolarHBondContact O-OD1 3.04Å; S225-V235 PolarHBondContact N-O 3.38Å; S225-V235 PolarHBondContact O-N 3.04Å
226	T	97	Very high	97.1	Very high	9 Å²	9	27.9 Å²	27.9	6%	0.055	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	137.8	177.2	-58.4	0	0	0	0	110.4	S228 S231 N234 Q237 P535 T554	T226-S228 PolarHBondContact O-N 2.62Å; T226-S231 WeakPolarHBondContact CG2-O 3.38Å; T226-N234 PolarHBondContact N-OD1 2.81Å; T226-Q237 PolarHBondContact O-NE2 3.44Å; T226-P535 HydrophobicContact CG2-CB 4.4Å; T226-P535 HydrophobicContact CG2-CG 3.81Å; T226-P535 WeakPolarHBondContact OG1-CB 3.44Å; T226-P535 VanDerWaalsContact OG1-CG 3.27Å; T226-P535 WeakPolarHBondContact OG1-CG 3.37Å; T226-T554 HydrophobicContact CG2-CG2 4.09Å
227	D	98.3	Very high	97.3	Very high	9 Å²	9	27.9 Å²	27.9	5%	0.048	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	115.2	175.9	-179.1	-11.3	0	0	0	109.7	K229 N230 S231 S233 V235 Y313 K315	D227-K229 PolarHBondContact O-N 2.59Å; D227-K229 PolarHBondContact OD1-N 3.28Å; D227-N230 HydrophobicContact CB-CB 4.34Å; D227-N230 CarbonylContact O-C 3.58Å; D227-N230 PolarHBondContact O-N 2.86Å; D227-S231 PolarHBondContact O-N 3Å; D227-S233 PolarHBondContact N-O 3.06Å; D227-V235 HydrophobicContact CB-CB 4.03Å; D227-V235 HydrophobicContact CB-CG1 3.71Å; D227-Y313 PolarHBondContact OD1-OH 3.42Å; D227-K315 IonicContact OD1-NZ 2.74Å; D227-K315 PolarHBondContact OD1-NZ 3.32Å; D227-K315 WeakPolarHBondContact OD2-CE 3.42Å; D227-K315 IonicContact OD2-NZ 3.72Å; D227-K315 PolarHBondContact OD2-NZ 3.36Å
228	S	98.1	Very high	97.5	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.028	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-32.5	-177.8	-48.2	0	0	0	0	112.4	T226 E309 N607 L608	T226-S228 PolarHBondContact O-N 2.62Å; S228-E309 PolarHBondContact OG-OE1 3.23Å; S228-N607 CarbonylContact O-C 3.59Å; S228-N607 WeakPolarHBondContact O-CA 3.38Å; S228-L608 VanDerWaalsContact O-CB 3.23Å; S228-L608 WeakPolarHBondContact O-CB 3.11Å; S228-L608 PolarHBondContact O-N 2.66Å
229	K	98.3	Very high	97.6	Very high	96 Å²	96	27.7 Å²	27.7	42%	0.417	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-1.6	177.8	-64.6	-163.7	177.1	-174.3	0	114.5	D227 Y313 L608	D227-K229 PolarHBondContact O-N 2.59Å; D227-K229 PolarHBondContact OD1-N 3.28Å; K229-Y313 HydrophobicContact CB-CE1 4.34Å; K229-Y313 HydrophobicContact CD-CD1 3.84Å; K229-Y313 HydrophobicContact CD-CE1 3.54Å; K229-Y313 HydrophobicContact CG-CD1 4.13Å; K229-Y313 HydrophobicContact CG-CE1 3.72Å; K229-Y313 HydrophobicContact CG-CE2 4.12Å; K229-L608 HydrophobicContact CG-CB 4.17Å; K229-L608 HydrophobicContact CG-CD2 4.22Å
230	N	97.8	Very high	97.5	Very high	61 Å²	61	28.8 Å²	28.8	33%	0.326	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	85.2	174.2	-180	11.7	0	0	0	110.4	D227 N232 S233 N607	D227-N230 HydrophobicContact CB-CB 4.34Å; D227-N230 CarbonylContact O-C 3.58Å; D227-N230 PolarHBondContact O-N 2.86Å; N230-N232 PolarHBondContact O-N 3.23Å; N230-N232 PolarHBondContact OD1-N 2.83Å; N230-S233 PolarHBondContact ND2-OG 2.78Å; N230-S233 PolarHBondContact O-N 2.87Å; N230-N607 WeakPolarHBondContact CA-OD1 3.31Å
231	S	96.9	Very high	97.4	Very high	11 Å²	11	29 Å²	29	8%	0.077	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	-11.6	-175.5	58.5	0	0	0	0	115.1	T226 D227 S233 P535 T554 D605 N607	T226-S231 WeakPolarHBondContact CG2-O 3.38Å; D227-S231 PolarHBondContact O-N 3Å; S231-S233 VanDerWaalsContact C-N 3.31Å; S231-P535 WeakPolarHBondContact O-CG 3.48Å; S231-T554 VanDerWaalsContact CB-O 3.27Å; S231-T554 WeakPolarHBondContact CB-O 3.12Å; S231-D605 WeakPolarHBondContact CB-O 3.08Å; S231-D605 PolarHBondContact OG-O 2.92Å; S231-N607 PolarHBondContact N-OD1 3.48Å; S231-N607 PolarHBondContact OG-ND2 2.89Å; S231-N607 PolarHBondContact OG-OD1 3.11Å
232	N	96.8	Very high	97.1	Very high	117 Å²	117	31.5 Å²	31.5	63%	0.626	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	0.5	176	-64.9	-53.2	0	0	0	113.4	N230 P535	N230-N232 PolarHBondContact O-N 3.23Å; N230-N232 PolarHBondContact OD1-N 2.83Å; N232-P535 VanDerWaalsContact C-CD 3.47Å; N232-P535 WeakPolarHBondContact O-CD 3.49Å
233	S	97.2	Very high	97	Very high	47 Å²	47	32 Å²	32	33%	0.329	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.1	-176.7	-63.2	0	0	0	0	111.4	D227 N230 S231	D227-S233 PolarHBondContact N-O 3.06Å; N230-S233 PolarHBondContact ND2-OG 2.78Å; N230-S233 PolarHBondContact O-N 2.87Å; S231-S233 VanDerWaalsContact C-N 3.31Å
234	N	97.9	Very high	97	Very high	22 Å²	22	30 Å²	30	12%	0.118	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	152.2	166.4	-74	-53	0	0	0	110.1	V224 S225 T226 Q530 K533	V224-N234 HydrophobicContact CG1-CB 3.81Å; S225-N234 VanDerWaalsContact C-OD1 3.25Å; S225-N234 CarbonylContact O-C 3.52Å; S225-N234 WeakPolarHBondContact O-CA 3.47Å; S225-N234 PolarHBondContact O-OD1 3.04Å; T226-N234 PolarHBondContact N-OD1 2.81Å; N234-Q530 PolarHBondContact ND2-O 2.95Å; N234-K533 PolarHBondContact ND2-O 3.29Å
235	V	98.3	Very high	97	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.5	179.3	69.1	0	0	0	0	110	S225 D227 Q237 P348 V350	S225-V235 PolarHBondContact N-O 3.38Å; S225-V235 PolarHBondContact O-N 3.04Å; D227-V235 HydrophobicContact CB-CB 4.03Å; D227-V235 HydrophobicContact CB-CG1 3.71Å; V235-Q237 HydrophobicContact CG1-CG 3.98Å; V235-P348 HydrophobicContact CG2-CB 4.13Å; V235-P348 HydrophobicContact CG2-CG 4.28Å; V235-P348 VanDerWaalsContact CG2-O 3.3Å; V235-P348 WeakPolarHBondContact CG2-O 3.41Å; V235-V350 HydrophobicContact CG1-CB 4.47Å; V235-V350 HydrophobicContact CG1-CG2 3.72Å; V235-V350 HydrophobicContact CG2-CG2 4.1Å
236	I	98.6	Very high	97	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	134.9	169.3	-61.2	175.7	0	0	0	108.2	V222 V224 L334 F338 L343 E347 V349 V350 L531	V222-I236 HydrophobicContact CG1-CG2 3.86Å; V224-I236 HydrophobicContact CG2-CG1 4.42Å; I236-L334 HydrophobicContact CG2-CD2 4.09Å; I236-F338 HydrophobicContact CB-CE2 4.32Å; I236-F338 HydrophobicContact CD1-CD2 3.76Å; I236-F338 HydrophobicContact CD1-CE2 3.63Å; I236-F338 HydrophobicContact CD1-CZ 4.46Å; I236-F338 HydrophobicContact CG1-CD2 4.2Å; I236-F338 HydrophobicContact CG1-CE2 3.7Å; I236-F338 HydrophobicContact CG1-CZ 4.05Å; I236-F338 HydrophobicContact CG2-CE2 3.72Å; I236-F338 HydrophobicContact CG2-CZ 4.05Å; I236-L343 HydrophobicContact CD1-CD1 3.96Å; I236-L343 HydrophobicContact CD1-CD2 4.25Å; I236-E347 HydrophobicContact CD1-CG 3.78Å; I236-V349 HydrophobicContact CB-CG2 4.22Å; I236-V349 HydrophobicContact CG2-CG1 4.14Å; I236-V349 HydrophobicContact CG2-CG2 4.27Å; I236-V349 CarbonylContact O-C 3.58Å; I236-V349 WeakPolarHBondContact O-CA 3.44Å; I236-V350 PolarHBondContact O-N 2.74Å; I236-L531 HydrophobicContact CD1-CD2 4.06Å; I236-L531 HydrophobicContact CG1-CD1 3.86Å; I236-L531 HydrophobicContact CG1-CD2 3.96Å
237	Q	98.5	Very high	96.9	Very high	6 Å²	6	30 Å²	30	3%	0.028	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.7	179.3	-56.2	-170.9	1.4	0	0	109.7	V222 F223 T226 V235 V350 Y352	V222-Q237 VanDerWaalsContact CA-O 3.3Å; V222-Q237 WeakPolarHBondContact CA-O 3.32Å; F223-Q237 HydrophobicContact CD1-CB 4.32Å; F223-Q237 HydrophobicContact CD2-CB 4.18Å; F223-Q237 HydrophobicContact CE1-CB 3.94Å; F223-Q237 HydrophobicContact CE2-CB 3.81Å; F223-Q237 HydrophobicContact CE2-CG 4.2Å; F223-Q237 HydrophobicContact CG-CB 4.42Å; F223-Q237 HydrophobicContact CZ-CB 3.67Å; F223-Q237 HydrophobicContact CZ-CG 4.43Å; F223-Q237 PolarHBondContact N-O 3.31Å; F223-Q237 PolarHBondContact O-N 2.93Å; T226-Q237 PolarHBondContact O-NE2 3.44Å; V235-Q237 HydrophobicContact CG1-CG 3.98Å; Q237-V350 CarbonylContact C-O 3.52Å; Q237-V350 WeakPolarHBondContact CA-O 3.46Å; Q237-V350 HydrophobicContact CG-CB 4.29Å; Q237-Y352 HydrophobicContact CB-CE2 3.99Å; Q237-Y352 VanDerWaalsContact CD-OH 3.22Å; Q237-Y352 HydrophobicContact CG-CE2 4.32Å; Q237-Y352 PolarHBondContact NE2-OH 3.37Å; Q237-Y352 VanDerWaalsContact OE1-CE2 3.32Å; Q237-Y352 PolarHBondContact OE1-OH 3.05Å
238	V	98.6	Very high	96.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.8	176.8	-176.1	0	0	0	0	108.9	F220 T221 V222 W330 V349 V350 V351 Y352 L357	F220-V238 HydrophobicContact CD2-CG1 4.38Å; T221-V238 WeakPolarHBondContact O-CA 3.21Å; V222-V238 HydrophobicContact CG2-CG1 4.38Å; V222-V238 HydrophobicContact CG2-CG2 4Å; V238-W330 HydrophobicContact CG1-CH2 4.08Å; V238-W330 HydrophobicContact CG1-CZ3 4.42Å; V238-W330 HydrophobicContact CG2-CZ3 4.36Å; V238-V349 HydrophobicContact CB-CG1 4.45Å; V238-V349 HydrophobicContact CG2-CG1 3.59Å; V238-V350 PolarHBondContact N-O 3.4Å; V238-V351 HydrophobicContact CB-CG2 4.42Å; V238-V351 WeakPolarHBondContact O-CA 3.45Å; V238-Y352 PolarHBondContact O-N 3.28Å; V238-Y352 VanDerWaalsContact O-N 3.09Å; V238-L357 HydrophobicContact CG1-CD1 3.75Å; V238-L357 HydrophobicContact CG1-CD2 4.01Å; V238-L357 HydrophobicContact CG1-CG 4.46Å
239	D	98.5	Very high	96.6	Very high	27 Å²	27	34.6 Å²	34.6	14%	0.144	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	170.4	-178.1	-157.2	7	0	0	0	112.8	F220 T221 F223 R306 Y352	F220-D239 CarbonylContact C-O 3.59Å; F220-D239 WeakPolarHBondContact CA-O 3.33Å; F220-D239 WeakPolarHBondContact CB-O 3.34Å; T221-D239 HydrophobicContact CG2-CB 3.75Å; T221-D239 PolarHBondContact N-O 3.3Å; T221-D239 PolarHBondContact O-N 2.84Å; F223-D239 HydrophobicContact CE1-CB 4.47Å; D239-R306 IonicContact OD1-CZ 3.07Å; D239-R306 IonicContact OD1-NH1 3.37Å; D239-R306 PolarHBondContact OD1-NH1 3.48Å; D239-R306 IonicContact OD1-NH2 3.77Å; D239-R306 PolarHBondContact OD1-NH2 2.95Å; D239-R306 IonicContact OD2-CZ 3.38Å; D239-R306 IonicContact OD2-NH2 3.14Å; D239-R306 PolarHBondContact OD2-NH2 3.04Å; D239-Y352 HydrophobicContact CB-CD2 4.03Å; D239-Y352 WeakPolarHBondContact OD1-CB 3.35Å
240	Q	97.8	Very high	96.4	Very high	23 Å²	23	30 Å²	30	11%	0.107	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	142.6	168.7	65.9	-173.9	41.8	0	0	111.3	V301 A353 Y356	Q240-V301 PolarHBondContact NE2-O 2.99Å; Q240-A353 HydrophobicContact CB-CB 4.45Å; Q240-Y356 VanDerWaalsContact CA-CE1 3.46Å; Q240-Y356 HydrophobicContact CB-CD1 3.79Å; Q240-Y356 HydrophobicContact CB-CD2 3.81Å; Q240-Y356 HydrophobicContact CB-CE1 3.7Å; Q240-Y356 HydrophobicContact CB-CE2 3.71Å; Q240-Y356 HydrophobicContact CB-CG 3.87Å
241	S	94.4	Very high	96.4	Very high	8 Å²	8	27.1 Å²	27.1	6%	0.056	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-86.8	163.5	-178	-159.7	0	0	0	0	112.7	S217	S217-S241 WeakPolarHBondContact CB-OG 3.19Å; S217-S241 PolarHBondContact O-OG 2.72Å
242	S	92.1	Very high	96.2	Very high	88 Å²	88	29.4 Å²	29.4	62%	0.615	17%	0.171	S	C	*	.	P	Polyproline II helix	trans	-72	146.8	167.5	61.6	0	0	0	0	111.6	K379	S242-K379 PolarHBondContact O-NZ 3.31Å
243	L	96.1	Very high	95.6	Very high	22 Å²	22	28 Å²	28	12%	0.115	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-92.7	173.8	177.1	-56	170.5	0	0	0	110.6	L245 R248 Y251 E293 L296 A297	L243-L245 VanDerWaalsContact C-N 3.32Å; L243-R248 HydrophobicContact CD1-CB 4.07Å; L243-Y251 HydrophobicContact CB-CE2 3.76Å; L243-Y251 HydrophobicContact CD1-CD2 3.97Å; L243-Y251 HydrophobicContact CD1-CE2 3.7Å; L243-Y251 HydrophobicContact CG-CE2 4.32Å; L243-E293 HydrophobicContact CB-CG 4.46Å; L243-E293 HydrophobicContact CD2-CG 3.97Å; L243-L296 HydrophobicContact CD2-CB 4.29Å; L243-L296 HydrophobicContact CD2-CD2 3.96Å; L243-L296 HydrophobicContact CD2-CG 4.03Å; L243-A297 HydrophobicContact CD1-CB 3.6Å
244	G	95.2	Very high	94.6	Very high	13 Å²	13	31.2 Å²	31.2	13%	0.134	17%	0.172	C	C	.	.	S	Bend	trans	-67.3	-29.5	174.4	0	0	0	0	0	114.6	Y251 Y264 E293 R382	G244-Y251 WeakPolarHBondContact CA-OH 3.37Å; G244-Y251 PolarHBondContact N-OH 3.36Å; G244-Y251 VanDerWaalsContact N-OH 3.12Å; G244-Y264 WeakPolarHBondContact CA-OH 3.46Å; G244-E293 VanDerWaalsContact N-CD 3.26Å; G244-E293 PolarHBondContact N-OE1 3.3Å; G244-E293 PolarHBondContact N-OE2 3.14Å; G244-R382 PolarHBondContact O-NH2 3Å
245	L	96.5	Very high	93.5	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.026	21%	0.205	C	C	.	.	S	Bend	trans	-101.4	157.8	171.3	-60.3	178.6	0	0	0	111.4	L243 S247 Y250 Y251 L261 Y264 F399 M403	L243-L245 VanDerWaalsContact C-N 3.32Å; L245-S247 VanDerWaalsContact C-N 3.26Å; L245-S247 PolarHBondContact O-N 3.47Å; L245-S247 VanDerWaalsContact O-N 3.14Å; L245-Y250 HydrophobicContact CB-CG 4.38Å; L245-Y250 HydrophobicContact CD1-CG 4.44Å; L245-Y251 HydrophobicContact CB-CD2 4.41Å; L245-Y251 HydrophobicContact CB-CE2 3.55Å; L245-Y251 HydrophobicContact CD1-CD1 4.49Å; L245-Y251 HydrophobicContact CD1-CD2 4.41Å; L245-Y251 HydrophobicContact CD1-CE1 4.14Å; L245-Y251 HydrophobicContact CD1-CE2 4.04Å; L245-Y251 HydrophobicContact CG-CE1 4.38Å; L245-Y251 HydrophobicContact CG-CE2 3.97Å; L245-Y251 PolarHBondContact N-OH 3.3Å; L245-L261 HydrophobicContact CD1-CD2 3.82Å; L245-Y264 HydrophobicContact CD1-CD1 4.38Å; L245-Y264 HydrophobicContact CD1-CG 4.45Å; L245-Y264 HydrophobicContact CD2-CD1 4.3Å; L245-Y264 HydrophobicContact CD2-CD2 3.83Å; L245-Y264 HydrophobicContact CD2-CG 3.73Å; L245-Y264 HydrophobicContact CG-CD1 4.13Å; L245-Y264 HydrophobicContact CG-CD2 4.44Å; L245-Y264 HydrophobicContact CG-CG 4.08Å; L245-F399 HydrophobicContact CD2-CE2 3.96Å; L245-F399 HydrophobicContact CD2-CZ 3.54Å; L245-M403 HydrophobicContact CD2-SD 4.16Å
246	P	94.8	Very high	92.6	Very high	55 Å²	55	39.1 Å²	39.1	36%	0.357	23%	0.226	S	C	.	.	S	Bend	trans	-60.7	-25.9	-171.1	-28.1	37.6	0	0	0	116.1	Y250 M403 E707 T711	P246-Y250 HydrophobicContact CB-CE2 4.3Å; P246-Y250 HydrophobicContact CG-CE2 4.44Å; P246-M403 HydrophobicContact CG-CE 3.74Å; P246-E707 HydrophobicContact CG-CG 4.48Å; P246-T711 HydrophobicContact CB-CG2 3.68Å
247	S	95.1	Very high	92.1	Very high	15 Å²	15	39.2 Å²	39.2	11%	0.105	23%	0.227	C	C	.	.	S	Bend	trans	-147.6	155.5	178.9	168.4	0	0	0	0	111.1	L245 D249 Y250 I710	L245-S247 VanDerWaalsContact C-N 3.26Å; L245-S247 PolarHBondContact O-N 3.47Å; L245-S247 VanDerWaalsContact O-N 3.14Å; S247-D249 PolarHBondContact O-N 2.72Å; S247-D249 PolarHBondContact OG-N 3.46Å; S247-Y250 PolarHBondContact O-N 3.03Å; S247-I710 WeakPolarHBondContact OG-CG2 3.28Å
248	R	95.4	Very high	91.8	Very high	46 Å²	46	45.3 Å²	45.3	17%	0.174	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-31.3	171.3	67	-176.4	-63.1	-84.9	10.2	112.6	L243 Y250 Y251 L252 A297 T300	L243-R248 HydrophobicContact CD1-CB 4.07Å; R248-Y250 PolarHBondContact O-N 3.16Å; R248-Y251 WeakPolarHBondContact O-CB 3.35Å; R248-Y251 PolarHBondContact O-N 3.09Å; R248-L252 VanDerWaalsContact NH1-CD1 3.34Å; R248-L252 WeakPolarHBondContact O-CG 3.3Å; R248-L252 PolarHBondContact O-N 2.97Å; R248-A297 HydrophobicContact CB-CB 4.12Å; R248-A297 PolarHBondContact NE-O 3.22Å; R248-A297 VanDerWaalsContact NE-O 3.13Å; R248-T300 PolarHBondContact NE-O 2.68Å
249	D	93.4	Very high	91.6	Very high	62 Å²	62	50.6 Å²	50.6	33%	0.332	28%	0.278	S	S	.	.	H	α-helix	trans	-68.4	-23.2	-174.4	-64.6	-22.8	0	0	0	113	S247 Y251 L252 N253 N257 I710	S247-D249 PolarHBondContact O-N 2.72Å; S247-D249 PolarHBondContact OG-N 3.46Å; D249-Y251 PolarHBondContact O-N 3.28Å; D249-L252 PolarHBondContact O-N 2.87Å; D249-N253 PolarHBondContact O-N 3.45Å; D249-N253 VanDerWaalsContact O-N 3.07Å; D249-N257 PolarHBondContact O-ND2 3.02Å; D249-I710 HydrophobicContact CB-CG2 3.97Å
250	Y	95.4	Very high	91.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-29.3	170.4	-80.7	-85.3	0	0	0	113	L245 P246 S247 R248 N257 Y260 L261 M403 E707 I710	L245-Y250 HydrophobicContact CB-CG 4.38Å; L245-Y250 HydrophobicContact CD1-CG 4.44Å; P246-Y250 HydrophobicContact CB-CE2 4.3Å; P246-Y250 HydrophobicContact CG-CE2 4.44Å; S247-Y250 PolarHBondContact O-N 3.03Å; R248-Y250 PolarHBondContact O-N 3.16Å; Y250-N257 HydrophobicContact CD1-CB 4.49Å; Y250-Y260 AromaticContact CD1-CD2 3.79Å; Y250-Y260 HydrophobicContact CD1-CD2 3.79Å; Y250-Y260 AromaticContact CD1-CG 3.81Å; Y250-Y260 HydrophobicContact CD1-CG 3.81Å; Y250-Y260 HydrophobicContact CE1-CD1 4Å; Y250-Y260 AromaticContact CE1-CD2 3.55Å; Y250-Y260 HydrophobicContact CE1-CD2 3.55Å; Y250-Y260 HydrophobicContact CE1-CE1 4.24Å; Y250-Y260 AromaticContact CE1-CE2 3.86Å; Y250-Y260 HydrophobicContact CE1-CE2 3.86Å; Y250-Y260 AromaticContact CE1-CG 3.64Å; Y250-Y260 HydrophobicContact CE1-CG 3.64Å; Y250-L261 WeakPolarHBondContact O-CG 3.4Å; Y250-M403 HydrophobicContact CD1-CE 4.19Å; Y250-M403 HydrophobicContact CE1-CE 3.61Å; Y250-M403 HydrophobicContact CE1-SD 4.42Å; Y250-M403 HydrophobicContact CE2-CE 4.3Å; Y250-E707 WeakPolarHBondContact OH-CA 3.31Å; Y250-E707 WeakPolarHBondContact OH-CB 3.38Å; Y250-E707 WeakPolarHBondContact OH-CG 3.46Å; Y250-I710 HydrophobicContact CE2-CD1 4.17Å; Y250-I710 HydrophobicContact CE2-CG2 4.5Å
251	Y	96.1	Very high	91.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-87.7	-32.3	178.9	-61.5	-93.6	0	0	0	113	L243 G244 L245 R248 D249 K254 L261 E293 A297	L243-Y251 HydrophobicContact CB-CE2 3.76Å; L243-Y251 HydrophobicContact CD1-CD2 3.97Å; L243-Y251 HydrophobicContact CD1-CE2 3.7Å; L243-Y251 HydrophobicContact CG-CE2 4.32Å; G244-Y251 WeakPolarHBondContact CA-OH 3.37Å; G244-Y251 PolarHBondContact N-OH 3.36Å; G244-Y251 VanDerWaalsContact N-OH 3.12Å; L245-Y251 HydrophobicContact CB-CD2 4.41Å; L245-Y251 HydrophobicContact CB-CE2 3.55Å; L245-Y251 HydrophobicContact CD1-CD1 4.49Å; L245-Y251 HydrophobicContact CD1-CD2 4.41Å; L245-Y251 HydrophobicContact CD1-CE1 4.14Å; L245-Y251 HydrophobicContact CD1-CE2 4.04Å; L245-Y251 HydrophobicContact CG-CE1 4.38Å; L245-Y251 HydrophobicContact CG-CE2 3.97Å; L245-Y251 PolarHBondContact N-OH 3.3Å; R248-Y251 WeakPolarHBondContact O-CB 3.35Å; R248-Y251 PolarHBondContact O-N 3.09Å; D249-Y251 PolarHBondContact O-N 3.28Å; Y251-K254 WeakPolarHBondContact O-CG 3.41Å; Y251-L261 HydrophobicContact CD1-CD2 3.89Å; Y251-L261 HydrophobicContact CE1-CD2 4.4Å; Y251-L261 HydrophobicContact CG-CD2 4.41Å; Y251-E293 HydrophobicContact CE1-CB 4.19Å; Y251-E293 HydrophobicContact CE1-CG 3.95Å; Y251-E293 PolarHBondContact OH-OE2 2.82Å; Y251-A297 HydrophobicContact CD2-CB 3.72Å; Y251-A297 HydrophobicContact CE2-CB 4.48Å; Y251-A297 HydrophobicContact CG-CB 3.75Å
252	L	93.1	Very high	91.5	Very high	59 Å²	59	52.4 Å²	52.4	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	-93	-36.6	-168.9	-58.5	178.7	0	0	0	113	R248 D249 K254 N298	R248-L252 VanDerWaalsContact NH1-CD1 3.34Å; R248-L252 WeakPolarHBondContact O-CG 3.3Å; R248-L252 PolarHBondContact O-N 2.97Å; D249-L252 PolarHBondContact O-N 2.87Å; L252-K254 PolarHBondContact O-N 3.04Å; L252-N298 HydrophobicContact CD2-CB 3.9Å
253	N	85.6	Confident	91.7	Very high	87 Å²	87	48.8 Å²	48.8	47%	0.465	27%	0.266	S	S	.	.			trans	-86	63.5	175.9	-167.9	-5.6	0	0	0	111.2	D249 T255 A256 N257	D249-N253 PolarHBondContact O-N 3.45Å; D249-N253 VanDerWaalsContact O-N 3.07Å; N253-T255 VanDerWaalsContact C-N 3.28Å; N253-T255 PolarHBondContact O-N 3.24Å; N253-A256 WeakPolarHBondContact ND2-CB 3.36Å; N253-A256 PolarHBondContact O-N 3.1Å; N253-A256 WeakPolarHBondContact OD1-CB 3.44Å; N253-A256 PolarHBondContact OD1-N 2.96Å; N253-N257 VanDerWaalsContact O-CB 3.31Å; N253-N257 WeakPolarHBondContact O-CB 3.34Å; N253-N257 PolarHBondContact O-N 3.37Å
254	K	74.4	Confident	91.8	Very high	116 Å²	116	47.9 Å²	47.9	50%	0.504	26%	0.261	S	S	.	.	H	α-helix	trans	-56.4	-38.1	-169.5	-66.1	-169.9	178.3	-170.9	0	113.6	Y251 L252 N257 E258 L261	Y251-K254 WeakPolarHBondContact O-CG 3.41Å; L252-K254 PolarHBondContact O-N 3.04Å; K254-N257 PolarHBondContact O-N 3.27Å; K254-E258 WeakPolarHBondContact O-CA 3.5Å; K254-E258 WeakPolarHBondContact O-CB 3.37Å; K254-E258 PolarHBondContact O-N 2.9Å; K254-L261 HydrophobicContact CG-CD1 4.21Å
255	T	75.4	Confident	92	Very high	135 Å²	135	49 Å²	49	83%	0.828	26%	0.263	S	S	*	.	H	α-helix	trans	-70.6	-39.3	-178.3	-49	0	0	0	0	112.3	N253	N253-T255 VanDerWaalsContact C-N 3.28Å; N253-T255 PolarHBondContact O-N 3.24Å
256	A	80	Confident	92.1	Very high	55 Å²	55	53.3 Å²	53.3	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-76	-30.9	176.2	0	0	0	0	0	112.2	N253	N253-A256 WeakPolarHBondContact ND2-CB 3.36Å; N253-A256 PolarHBondContact O-N 3.1Å; N253-A256 WeakPolarHBondContact OD1-CB 3.44Å; N253-A256 PolarHBondContact OD1-N 2.96Å
257	N	87	Confident	92.3	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-111.1	10.8	-167.5	-62.9	-22.5	0	0	0	114.7	D249 Y250 N253 K254 K259 Y260 L261 H706	D249-N257 PolarHBondContact O-ND2 3.02Å; Y250-N257 HydrophobicContact CD1-CB 4.49Å; N253-N257 VanDerWaalsContact O-CB 3.31Å; N253-N257 WeakPolarHBondContact O-CB 3.34Å; N253-N257 PolarHBondContact O-N 3.37Å; K254-N257 PolarHBondContact O-N 3.27Å; N257-K259 VanDerWaalsContact C-N 3.28Å; N257-K259 PolarHBondContact O-N 3.18Å; N257-Y260 HydrophobicContact CB-CD2 4.05Å; N257-Y260 WeakPolarHBondContact O-CB 3.44Å; N257-Y260 PolarHBondContact O-N 2.72Å; N257-L261 PolarHBondContact O-N 3.47Å; N257-H706 PolarHBondContact OD1-NE2 3.19Å
258	E	91.9	Very high	92.4	Very high	134 Å²	134	50.2 Å²	50.2	63%	0.626	27%	0.266	S	S	*	.	H	α-helix	trans	-50.8	-46.7	-177.6	-176	175.4	-159.6	0	0	112.1	K254 Y260 L261 T262	K254-E258 WeakPolarHBondContact O-CA 3.5Å; K254-E258 WeakPolarHBondContact O-CB 3.37Å; K254-E258 PolarHBondContact O-N 2.9Å; E258-Y260 PolarHBondContact O-N 3.31Å; E258-Y260 VanDerWaalsContact O-N 3.17Å; E258-L261 PolarHBondContact O-N 2.73Å; E258-L261 VanDerWaalsContact O-N 3.17Å; E258-T262 PolarHBondContact O-N 2.78Å; E258-T262 PolarHBondContact O-OG1 3.48Å; E258-T262 VanDerWaalsContact O-OG1 3.1Å
259	K	94.5	Very high	92.6	Very high	112 Å²	112	49 Å²	49	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-56.4	-35.4	179.8	70.5	179.1	-174.1	174.5	0	113	N257 A263	N257-K259 VanDerWaalsContact C-N 3.28Å; N257-K259 PolarHBondContact O-N 3.18Å; K259-A263 WeakPolarHBondContact O-CB 3.45Å; K259-A263 PolarHBondContact O-N 3.19Å
260	Y	95.6	Very high	92.8	Very high	2 Å²	2	49 Å²	49	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-77	-41.2	-178.9	-59.6	-69.7	0	0	0	111.1	Y250 N257 E258 A263 Y264 V402 M403 H706	Y250-Y260 AromaticContact CD1-CD2 3.79Å; Y250-Y260 HydrophobicContact CD1-CD2 3.79Å; Y250-Y260 AromaticContact CD1-CG 3.81Å; Y250-Y260 HydrophobicContact CD1-CG 3.81Å; Y250-Y260 HydrophobicContact CE1-CD1 4Å; Y250-Y260 AromaticContact CE1-CD2 3.55Å; Y250-Y260 HydrophobicContact CE1-CD2 3.55Å; Y250-Y260 HydrophobicContact CE1-CE1 4.24Å; Y250-Y260 AromaticContact CE1-CE2 3.86Å; Y250-Y260 HydrophobicContact CE1-CE2 3.86Å; Y250-Y260 AromaticContact CE1-CG 3.64Å; Y250-Y260 HydrophobicContact CE1-CG 3.64Å; N257-Y260 HydrophobicContact CB-CD2 4.05Å; N257-Y260 WeakPolarHBondContact O-CB 3.44Å; N257-Y260 PolarHBondContact O-N 2.72Å; E258-Y260 PolarHBondContact O-N 3.31Å; E258-Y260 VanDerWaalsContact O-N 3.17Å; Y260-A263 PolarHBondContact O-N 3.45Å; Y260-Y264 WeakPolarHBondContact O-CB 3.35Å; Y260-Y264 PolarHBondContact O-N 3.24Å; Y260-V402 HydrophobicContact CD1-CG1 4.13Å; Y260-V402 VanDerWaalsContact CE1-O 3.25Å; Y260-V402 WeakPolarHBondContact CE1-O 3.45Å; Y260-M403 HydrophobicContact CD1-CE 4.27Å; Y260-M403 HydrophobicContact CD1-SD 3.51Å; Y260-M403 VanDerWaalsContact CD1-SD 3.51Å; Y260-M403 HydrophobicContact CE1-SD 4.28Å; Y260-M403 HydrophobicContact CG-SD 4.16Å; Y260-H706 AromaticContact CE2-CD2 3.58Å; Y260-H706 AromaticContact CE2-NE2 3.65Å; Y260-H706 AromaticContact CZ-CD2 3.7Å; Y260-H706 PolarHBondContact OH-CD2 3.37Å
261	L	96	Very high	93	Very high	25 Å²	25	49 Å²	49	13%	0.131	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-41.2	174.9	-72.7	169.9	0	0	0	111.8	L245 Y250 Y251 K254 N257 E258 Y264 L265	L245-L261 HydrophobicContact CD1-CD2 3.82Å; Y250-L261 WeakPolarHBondContact O-CG 3.4Å; Y251-L261 HydrophobicContact CD1-CD2 3.89Å; Y251-L261 HydrophobicContact CE1-CD2 4.4Å; Y251-L261 HydrophobicContact CG-CD2 4.41Å; K254-L261 HydrophobicContact CG-CD1 4.21Å; N257-L261 PolarHBondContact O-N 3.47Å; E258-L261 PolarHBondContact O-N 2.73Å; E258-L261 VanDerWaalsContact O-N 3.17Å; L261-Y264 PolarHBondContact O-N 2.85Å; L261-L265 WeakPolarHBondContact O-CB 3.21Å; L261-L265 PolarHBondContact O-N 3.39Å
262	T	97.1	Very high	93.1	Very high	68 Å²	68	49 Å²	49	42%	0.417	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-45.5	174	-57.6	0	0	0	0	111.4	E258 Y264 L265 N266	E258-T262 PolarHBondContact O-N 2.78Å; E258-T262 PolarHBondContact O-OG1 3.48Å; E258-T262 VanDerWaalsContact O-OG1 3.1Å; T262-Y264 VanDerWaalsContact C-N 3.32Å; T262-Y264 PolarHBondContact O-N 3Å; T262-L265 PolarHBondContact O-N 3.19Å; T262-N266 WeakPolarHBondContact O-CB 3.47Å; T262-N266 PolarHBondContact O-N 3.37Å; T262-N266 PolarHBondContact O-ND2 2.76Å
263	A	97.6	Very high	93.3	Very high	13 Å²	13	49.5 Å²	49.5	11%	0.107	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-39.3	177.1	0	0	0	0	0	112.2	K259 Y260 N266 F267 F399 V402	K259-A263 WeakPolarHBondContact O-CB 3.45Å; K259-A263 PolarHBondContact O-N 3.19Å; Y260-A263 PolarHBondContact O-N 3.45Å; A263-N266 PolarHBondContact O-N 3.4Å; A263-F267 VanDerWaalsContact O-CB 3.27Å; A263-F267 WeakPolarHBondContact O-CB 3.5Å; A263-F267 PolarHBondContact O-N 3.37Å; A263-F399 HydrophobicContact CB-CD2 4.28Å; A263-V402 HydrophobicContact CB-CB 3.78Å; A263-V402 HydrophobicContact CB-CG1 3.67Å; A263-V402 HydrophobicContact CB-CG2 3.87Å
264	Y	98.2	Very high	93.9	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-48.4	176.1	-172.5	-127.4	0	0	0	112	G244 L245 Y260 L261 T262 N266 F267 L268 V290 E293 F399	G244-Y264 WeakPolarHBondContact CA-OH 3.46Å; L245-Y264 HydrophobicContact CD1-CD1 4.38Å; L245-Y264 HydrophobicContact CD1-CG 4.45Å; L245-Y264 HydrophobicContact CD2-CD1 4.3Å; L245-Y264 HydrophobicContact CD2-CD2 3.83Å; L245-Y264 HydrophobicContact CD2-CG 3.73Å; L245-Y264 HydrophobicContact CG-CD1 4.13Å; L245-Y264 HydrophobicContact CG-CD2 4.44Å; L245-Y264 HydrophobicContact CG-CG 4.08Å; Y260-Y264 WeakPolarHBondContact O-CB 3.35Å; Y260-Y264 PolarHBondContact O-N 3.24Å; L261-Y264 PolarHBondContact O-N 2.85Å; T262-Y264 VanDerWaalsContact C-N 3.32Å; T262-Y264 PolarHBondContact O-N 3Å; Y264-N266 PolarHBondContact O-N 3.25Å; Y264-F267 WeakPolarHBondContact O-CB 3.35Å; Y264-F267 PolarHBondContact O-N 3.1Å; Y264-L268 HydrophobicContact CD1-CD1 4.35Å; Y264-L268 HydrophobicContact CD2-CG 4.46Å; Y264-L268 HydrophobicContact CE1-CD1 3.8Å; Y264-L268 HydrophobicContact CE1-CG 4.45Å; Y264-L268 HydrophobicContact CE2-CD1 4.26Å; Y264-L268 HydrophobicContact CE2-CD2 3.96Å; Y264-L268 HydrophobicContact CE2-CG 4.08Å; Y264-L268 WeakPolarHBondContact O-CG 3.49Å; Y264-L268 PolarHBondContact O-N 2.9Å; Y264-V290 HydrophobicContact CD1-CG2 3.89Å; Y264-V290 HydrophobicContact CE1-CG2 4.01Å; Y264-E293 WeakPolarHBondContact CE1-OE2 3.36Å; Y264-E293 PolarHBondContact OH-OE2 3.17Å; Y264-F399 AromaticContact CD2-CE2 3.87Å; Y264-F399 HydrophobicContact CD2-CE2 3.87Å; Y264-F399 AromaticContact CD2-CZ 3.92Å; Y264-F399 HydrophobicContact CD2-CZ 3.92Å; Y264-F399 HydrophobicContact CG-CE2 4.34Å
265	L	98.4	Very high	95.1	Very high	35 Å²	35	41.4 Å²	41.4	18%	0.183	23%	0.229	C	C	.	.	H	α-helix	trans	-58.5	-49.6	175.9	176.3	58.8	0	0	0	111.3	L261 T262 F267 L268 V269 M286 K287 V290	L261-L265 WeakPolarHBondContact O-CB 3.21Å; L261-L265 PolarHBondContact O-N 3.39Å; T262-L265 PolarHBondContact O-N 3.19Å; L265-F267 VanDerWaalsContact C-N 3.26Å; L265-F267 PolarHBondContact O-N 3.01Å; L265-L268 PolarHBondContact O-N 2.84Å; L265-L268 VanDerWaalsContact O-N 3.17Å; L265-V269 HydrophobicContact CD1-CG2 4.06Å; L265-V269 HydrophobicContact CG-CG2 4.42Å; L265-V269 VanDerWaalsContact O-CG2 3.3Å; L265-V269 WeakPolarHBondContact O-CG2 3.27Å; L265-V269 PolarHBondContact O-N 3.28Å; L265-M286 HydrophobicContact CD1-CB 3.82Å; L265-K287 HydrophobicContact CD1-CB 4.3Å; L265-V290 HydrophobicContact CB-CG2 4.42Å; L265-V290 HydrophobicContact CD1-CG2 4.24Å
266	N	98.5	Very high	96.1	Very high	97 Å²	97	37.6 Å²	37.6	52%	0.519	22%	0.216	S	C	.	.	H	α-helix	trans	-58.6	-41.3	179.8	-71.7	-15	0	0	0	111.8	T262 A263 Y264 V269 E270	T262-N266 WeakPolarHBondContact O-CB 3.47Å; T262-N266 PolarHBondContact O-N 3.37Å; T262-N266 PolarHBondContact O-ND2 2.76Å; A263-N266 PolarHBondContact O-N 3.4Å; Y264-N266 PolarHBondContact O-N 3.25Å; N266-V269 PolarHBondContact O-N 3.3Å; N266-E270 WeakPolarHBondContact O-CB 3.3Å; N266-E270 PolarHBondContact O-N 3.46Å
267	F	98.5	Very high	96.9	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.022	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-47.2	175.9	169.4	-98.4	0	0	0	112.3	A263 Y264 L265 V269 E270 L271 R382 V385 A395 E396 F399	A263-F267 VanDerWaalsContact O-CB 3.27Å; A263-F267 WeakPolarHBondContact O-CB 3.5Å; A263-F267 PolarHBondContact O-N 3.37Å; Y264-F267 WeakPolarHBondContact O-CB 3.35Å; Y264-F267 PolarHBondContact O-N 3.1Å; L265-F267 VanDerWaalsContact C-N 3.26Å; L265-F267 PolarHBondContact O-N 3.01Å; F267-V269 VanDerWaalsContact C-N 3.3Å; F267-V269 PolarHBondContact O-N 3.1Å; F267-E270 PolarHBondContact O-N 3.44Å; F267-L271 HydrophobicContact CD1-CD1 4.23Å; F267-L271 HydrophobicContact CE1-CD1 3.28Å; F267-L271 HydrophobicContact CE1-CG 3.91Å; F267-L271 HydrophobicContact CE2-CD1 4.15Å; F267-L271 HydrophobicContact CE2-CD2 4Å; F267-L271 HydrophobicContact CE2-CG 3.96Å; F267-L271 HydrophobicContact CZ-CD1 3.32Å; F267-L271 HydrophobicContact CZ-CD2 3.87Å; F267-L271 HydrophobicContact CZ-CG 3.65Å; F267-L271 WeakPolarHBondContact O-CG 3.44Å; F267-L271 PolarHBondContact O-N 3.12Å; F267-R382 VanDerWaalsContact CE1-CD 3.45Å; F267-V385 HydrophobicContact CZ-CG1 4.39Å; F267-V385 HydrophobicContact CZ-CG2 4.26Å; F267-A395 HydrophobicContact CD2-CB 4.05Å; F267-A395 WeakPolarHBondContact CD2-O 3.19Å; F267-A395 VanDerWaalsContact CE2-C 3.46Å; F267-A395 HydrophobicContact CE2-CB 3.88Å; F267-E396 VanDerWaalsContact CE2-CA 3.45Å; F267-E396 HydrophobicContact CE2-CB 4.07Å; F267-E396 HydrophobicContact CZ-CB 4.48Å; F267-F399 HydrophobicContact CB-CB 3.87Å; F267-F399 HydrophobicContact CB-CD2 4.16Å; F267-F399 HydrophobicContact CB-CG 4.14Å; F267-F399 HydrophobicContact CD1-CG 4.47Å; F267-F399 HydrophobicContact CD2-CB 3.85Å; F267-F399 HydrophobicContact CG-CB 3.79Å; F267-F399 HydrophobicContact CG-CG 4.07Å
268	L	98.7	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-38.7	176.5	-64.5	-174	0	0	0	112.1	Y264 L265 L271 G272 M286 I289 V290 M378 R382	Y264-L268 HydrophobicContact CD1-CD1 4.35Å; Y264-L268 HydrophobicContact CD2-CG 4.46Å; Y264-L268 HydrophobicContact CE1-CD1 3.8Å; Y264-L268 HydrophobicContact CE1-CG 4.45Å; Y264-L268 HydrophobicContact CE2-CD1 4.26Å; Y264-L268 HydrophobicContact CE2-CD2 3.96Å; Y264-L268 HydrophobicContact CE2-CG 4.08Å; Y264-L268 WeakPolarHBondContact O-CG 3.49Å; Y264-L268 PolarHBondContact O-N 2.9Å; L265-L268 PolarHBondContact O-N 2.84Å; L265-L268 VanDerWaalsContact O-N 3.17Å; L268-L271 HydrophobicContact CD2-CD1 4.47Å; L268-L271 PolarHBondContact O-N 2.91Å; L268-G272 PolarHBondContact O-N 2.94Å; L268-M286 HydrophobicContact CB-CB 3.84Å; L268-M286 HydrophobicContact CB-CG 3.79Å; L268-M286 HydrophobicContact CB-SD 3.99Å; L268-M286 WeakPolarHBondContact O-CG 3.5Å; L268-I289 HydrophobicContact CD1-CG2 4.06Å; L268-V290 HydrophobicContact CD1-CG2 3.88Å; L268-M378 HydrophobicContact CD2-CG 4.01Å; L268-M378 HydrophobicContact CD2-SD 3.78Å; L268-R382 HydrophobicContact CD2-CG 4.25Å
269	V	98.8	Very high	97.5	Very high	20 Å²	20	38.9 Å²	38.9	12%	0.121	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-45.2	176.7	171.3	0	0	0	0	110.8	L265 N266 F267 L271 G272 V273 K283 M286	L265-V269 HydrophobicContact CD1-CG2 4.06Å; L265-V269 HydrophobicContact CG-CG2 4.42Å; L265-V269 VanDerWaalsContact O-CG2 3.3Å; L265-V269 WeakPolarHBondContact O-CG2 3.27Å; L265-V269 PolarHBondContact O-N 3.28Å; N266-V269 PolarHBondContact O-N 3.3Å; F267-V269 VanDerWaalsContact C-N 3.3Å; F267-V269 PolarHBondContact O-N 3.1Å; V269-L271 VanDerWaalsContact C-N 3.34Å; V269-L271 PolarHBondContact O-N 3.48Å; V269-G272 WeakPolarHBondContact O-CA 3.47Å; V269-G272 PolarHBondContact O-N 2.8Å; V269-G272 VanDerWaalsContact O-N 3.08Å; V269-V273 PolarHBondContact O-N 2.98Å; V269-K283 HydrophobicContact CG2-CB 4.33Å; V269-M286 HydrophobicContact CG2-CB 3.84Å; V269-M286 HydrophobicContact CG2-CG 4.12Å
270	E	98.5	Very high	97.6	Very high	63 Å²	63	41 Å²	41	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-60.3	-43.5	177.1	178.2	159.2	-148.7	0	0	111.9	N266 F267 G272 V273 L274 A395 R398	N266-E270 WeakPolarHBondContact O-CB 3.3Å; N266-E270 PolarHBondContact O-N 3.46Å; F267-E270 PolarHBondContact O-N 3.44Å; E270-G272 VanDerWaalsContact C-N 3.29Å; E270-G272 PolarHBondContact O-N 3.22Å; E270-V273 PolarHBondContact O-N 3.16Å; E270-L274 HydrophobicContact CG-CD1 4.35Å; E270-L274 WeakPolarHBondContact O-CG 3.43Å; E270-L274 PolarHBondContact O-N 3.29Å; E270-A395 HydrophobicContact CG-CB 3.87Å; E270-R398 IonicContact OE1-CZ 3.72Å; E270-R398 IonicContact OE1-NE 3.7Å; E270-R398 IonicContact OE1-NH2 2.75Å; E270-R398 PolarHBondContact OE1-NH2 2.82Å; E270-R398 IonicContact OE2-CZ 3.56Å; E270-R398 IonicContact OE2-NE 3.54Å; E270-R398 PolarHBondContact OE2-NE 3.42Å; E270-R398 VanDerWaalsContact OE2-NE 3.1Å; E270-R398 IonicContact OE2-NH2 2.74Å; E270-R398 PolarHBondContact OE2-NH2 3.36Å
271	L	98.6	Very high	97.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-41	172.3	-67.1	-177.9	0	0	0	112.4	F267 L268 V269 L274 L275 M378 V381 V385 F392	F267-L271 HydrophobicContact CD1-CD1 4.23Å; F267-L271 HydrophobicContact CE1-CD1 3.28Å; F267-L271 HydrophobicContact CE1-CG 3.91Å; F267-L271 HydrophobicContact CE2-CD1 4.15Å; F267-L271 HydrophobicContact CE2-CD2 4Å; F267-L271 HydrophobicContact CE2-CG 3.96Å; F267-L271 HydrophobicContact CZ-CD1 3.32Å; F267-L271 HydrophobicContact CZ-CD2 3.87Å; F267-L271 HydrophobicContact CZ-CG 3.65Å; F267-L271 WeakPolarHBondContact O-CG 3.44Å; F267-L271 PolarHBondContact O-N 3.12Å; L268-L271 HydrophobicContact CD2-CD1 4.47Å; L268-L271 PolarHBondContact O-N 2.91Å; V269-L271 VanDerWaalsContact C-N 3.34Å; V269-L271 PolarHBondContact O-N 3.48Å; L271-L274 PolarHBondContact O-N 3.47Å; L271-L275 WeakPolarHBondContact O-CB 3.39Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.49Å; L271-L275 PolarHBondContact O-N 2.8Å; L271-M378 HydrophobicContact CD1-SD 4.26Å; L271-V381 HydrophobicContact CB-CG1 4.44Å; L271-V381 HydrophobicContact CD1-CG1 3.91Å; L271-V385 HydrophobicContact CD1-CG2 3.91Å; L271-V385 HydrophobicContact CD2-CG1 4.38Å; L271-V385 HydrophobicContact CD2-CG2 3.9Å; L271-F392 HydrophobicContact CD2-CD1 3.7Å; L271-F392 HydrophobicContact CD2-CE1 4.2Å
272	G	98.3	Very high	97.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-46.8	175.7	0	0	0	0	0	112	L194 L268 V269 E270 L274 L275 G276 G277	L194-G272 WeakPolarHBondContact CD2-O 3.42Å; L268-G272 PolarHBondContact O-N 2.94Å; V269-G272 WeakPolarHBondContact O-CA 3.47Å; V269-G272 PolarHBondContact O-N 2.8Å; V269-G272 VanDerWaalsContact O-N 3.08Å; E270-G272 VanDerWaalsContact C-N 3.29Å; E270-G272 PolarHBondContact O-N 3.22Å; G272-L274 PolarHBondContact O-N 2.91Å; G272-L275 PolarHBondContact O-N 2.92Å; G272-G276 PolarHBondContact O-N 3.49Å; G272-G277 PolarHBondContact O-N 3.19Å
273	V	98.4	Very high	97.8	Very high	68 Å²	68	45.3 Å²	45.3	41%	0.412	25%	0.25	S	C	.	.	H	α-helix	trans	-62.5	-44.8	177.1	175	0	0	0	0	111.3	V269 E270 L275 G276 S282	V269-V273 PolarHBondContact O-N 2.98Å; E270-V273 PolarHBondContact O-N 3.16Å; V273-L275 PolarHBondContact O-N 3.38Å; V273-G276 PolarHBondContact O-N 3.44Å; V273-S282 PolarHBondContact N-OG 3.18Å
274	L	98.3	Very high	97.9	Very high	32 Å²	32	48.3 Å²	48.3	17%	0.168	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-25.4	177.7	-69.3	176.6	0	0	0	113.4	E270 L271 G272 R391 F392	E270-L274 HydrophobicContact CG-CD1 4.35Å; E270-L274 WeakPolarHBondContact O-CG 3.43Å; E270-L274 PolarHBondContact O-N 3.29Å; L271-L274 PolarHBondContact O-N 3.47Å; G272-L274 PolarHBondContact O-N 2.91Å; L274-R391 HydrophobicContact CD1-CB 4.06Å; L274-R391 HydrophobicContact CD2-CB 3.82Å; L274-F392 HydrophobicContact CB-CE1 3.87Å; L274-F392 HydrophobicContact CB-CE2 4.08Å; L274-F392 HydrophobicContact CB-CZ 3.58Å; L274-F392 HydrophobicContact CD1-CD1 4.13Å; L274-F392 HydrophobicContact CD1-CD2 4.27Å; L274-F392 HydrophobicContact CD1-CE1 4.24Å; L274-F392 HydrophobicContact CD1-CE2 4.38Å; L274-F392 HydrophobicContact CD1-CG 4.14Å; L274-F392 HydrophobicContact CD1-CZ 4.37Å
275	L	98	Very high	97.8	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	1.9	177.2	-69.1	169.3	0	0	0	113.9	A179 L182 Q183 I186 W192 L194 L271 G272 V273 V381 F392	A179-L275 HydrophobicContact CB-CD2 4.38Å; L182-L275 HydrophobicContact CD2-CD1 4.41Å; L182-L275 HydrophobicContact CD2-CD2 3.95Å; L182-L275 HydrophobicContact CG-CD2 4.23Å; Q183-L275 HydrophobicContact CG-CD2 4.08Å; Q183-L275 PolarHBondContact NE2-O 3.5Å; I186-L275 HydrophobicContact CD1-CD1 4.31Å; I186-L275 HydrophobicContact CD1-CD2 4.46Å; W192-L275 HydrophobicContact CH2-CD1 3.69Å; W192-L275 HydrophobicContact CZ2-CB 4.01Å; W192-L275 HydrophobicContact CZ2-CD1 3.69Å; W192-L275 HydrophobicContact CZ2-CG 4.48Å; L194-L275 HydrophobicContact CD2-CB 4.29Å; L271-L275 WeakPolarHBondContact O-CB 3.39Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.49Å; L271-L275 PolarHBondContact O-N 2.8Å; G272-L275 PolarHBondContact O-N 2.92Å; V273-L275 PolarHBondContact O-N 3.38Å; L275-V381 HydrophobicContact CD1-CB 4.42Å; L275-V381 HydrophobicContact CD1-CG1 3.72Å; L275-V381 HydrophobicContact CD1-CG2 3.74Å; L275-F392 HydrophobicContact CD2-CE1 4.12Å; L275-F392 HydrophobicContact CD2-CZ 3.97Å; L275-F392 HydrophobicContact CG-CE1 4.1Å; L275-F392 HydrophobicContact CG-CZ 4.22Å
276	G	96.1	Very high	97.8	Very high	54 Å²	54	47.8 Å²	47.8	56%	0.557	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.1	8.5	172.5	0	0	0	0	0	115.3	G272 V273	G272-G276 PolarHBondContact O-N 3.49Å; V273-G276 PolarHBondContact O-N 3.44Å
277	G	96.8	Very high	97.8	Very high	8 Å²	8	48.2 Å²	48.2	8%	0.082	26%	0.261	C	S	.	.			trans	-75.1	151.9	171.4	0	0	0	0	0	112.6	G272	G272-G277 PolarHBondContact O-N 3.19Å
278	S	96.8	Very high	97.8	Very high	59 Å²	59	51.1 Å²	51.1	41%	0.413	28%	0.277	S	S	.	.			trans	-68.8	158.2	166	83.3	0	0	0	0	110.4	E280 T281 S282	S278-E280 VanDerWaalsContact C-N 3.31Å; S278-E280 PolarHBondContact O-N 3.19Å; S278-T281 PolarHBondContact O-N 2.97Å; S278-T281 WeakPolarHBondContact OG-CB 3.3Å; S278-T281 PolarHBondContact OG-N 2.91Å; S278-T281 PolarHBondContact OG-OG1 3.48Å; S278-S282 WeakPolarHBondContact O-CB 3.37Å; S278-S282 PolarHBondContact O-N 2.91Å; S278-S282 PolarHBondContact O-OG 3.3Å
279	E	96.3	Very high	97.8	Very high	150 Å²	150	51.1 Å²	51.1	70%	0.701	28%	0.277	S	S	*	.	H	α-helix	trans	-59.6	-42.2	177.3	-171.8	176.8	170.2	0	0	111.8	K283	E279-K283 VanDerWaalsContact O-CB 3.25Å; E279-K283 WeakPolarHBondContact O-CB 3.47Å; E279-K283 PolarHBondContact O-N 3.42Å
280	E	96.9	Very high	97.8	Very high	156 Å²	156	50.8 Å²	50.8	73%	0.729	28%	0.275	S	S	*	.	H	α-helix	trans	-66.9	-46.5	179.7	-175.5	176.2	-171.4	0	0	112.4	S278 K283 T284	S278-E280 VanDerWaalsContact C-N 3.31Å; S278-E280 PolarHBondContact O-N 3.19Å; E280-K283 PolarHBondContact O-N 2.9Å; E280-T284 PolarHBondContact O-N 3.3Å; E280-T284 PolarHBondContact O-OG1 3.14Å
281	T	96.6	Very high	97.8	Very high	55 Å²	55	51.1 Å²	51.1	34%	0.337	28%	0.279	S	S	.	.	H	α-helix	trans	-63.7	-45.5	177.1	-52.4	0	0	0	0	110.7	L194 S278 K283 T284 L285	L194-T281 HydrophobicContact CD1-CG2 4.41Å; S278-T281 PolarHBondContact O-N 2.97Å; S278-T281 WeakPolarHBondContact OG-CB 3.3Å; S278-T281 PolarHBondContact OG-N 2.91Å; S278-T281 PolarHBondContact OG-OG1 3.48Å; T281-K283 PolarHBondContact O-N 3.02Å; T281-T284 PolarHBondContact O-N 3.11Å; T281-L285 HydrophobicContact CG2-CD1 4.02Å; T281-L285 HydrophobicContact CG2-CG 4.4Å; T281-L285 WeakPolarHBondContact O-CG 3.49Å; T281-L285 PolarHBondContact O-N 3.1Å
282	S	98.1	Very high	97.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-48.5	177.6	-57.3	0	0	0	0	110.4	V273 S278 T284 L285 M286	V273-S282 PolarHBondContact N-OG 3.18Å; S278-S282 WeakPolarHBondContact O-CB 3.37Å; S278-S282 PolarHBondContact O-N 2.91Å; S278-S282 PolarHBondContact O-OG 3.3Å; S282-T284 VanDerWaalsContact C-N 3.33Å; S282-T284 PolarHBondContact O-N 3.47Å; S282-L285 PolarHBondContact O-N 3.21Å; S282-M286 VanDerWaalsContact O-CB 3.32Å; S282-M286 WeakPolarHBondContact O-CB 3.41Å; S282-M286 WeakPolarHBondContact O-CG 3.41Å; S282-M286 PolarHBondContact O-N 3.06Å
283	K	98.3	Very high	97.8	Very high	132 Å²	132	51.5 Å²	51.5	57%	0.574	28%	0.28	S	S	*	.	H	α-helix	trans	-58.2	-43.4	179.2	-168.6	174.7	-174.6	174.1	0	113.1	V269 E279 E280 T281 K287	V269-K283 HydrophobicContact CG2-CB 4.33Å; E279-K283 VanDerWaalsContact O-CB 3.25Å; E279-K283 WeakPolarHBondContact O-CB 3.47Å; E279-K283 PolarHBondContact O-N 3.42Å; E280-K283 PolarHBondContact O-N 2.9Å; T281-K283 PolarHBondContact O-N 3.02Å; K283-K287 VanDerWaalsContact O-CB 3.29Å; K283-K287 WeakPolarHBondContact O-CB 3.4Å; K283-K287 PolarHBondContact O-N 3.29Å; K283-K287 VanDerWaalsContact O-N 3.15Å
284	T	97.9	Very high	97.8	Very high	75 Å²	75	49.1 Å²	49.1	46%	0.46	27%	0.266	S	S	.	.	H	α-helix	trans	-66.6	-53.6	-179.9	-55.1	0	0	0	0	111	E280 T281 S282 M286 K287 D288	E280-T284 PolarHBondContact O-N 3.3Å; E280-T284 PolarHBondContact O-OG1 3.14Å; T281-T284 PolarHBondContact O-N 3.11Å; S282-T284 VanDerWaalsContact C-N 3.33Å; S282-T284 PolarHBondContact O-N 3.47Å; T284-M286 PolarHBondContact O-N 2.95Å; T284-K287 WeakPolarHBondContact O-CB 3.33Å; T284-K287 PolarHBondContact O-N 3.11Å; T284-D288 PolarHBondContact O-N 2.94Å; T284-D288 VanDerWaalsContact O-N 3.12Å
285	L	97.9	Very high	97.8	Very high	26 Å²	26	50.8 Å²	50.8	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-39.3	-177.3	-68.2	-177.8	0	0	0	113	A193 L194 T281 S282 K287 D288 I289	A193-L285 HydrophobicContact CB-CD1 4.04Å; A193-L285 HydrophobicContact CB-CD2 4.47Å; L194-L285 HydrophobicContact CB-CD1 4.2Å; L194-L285 HydrophobicContact CD1-CD1 4.06Å; T281-L285 HydrophobicContact CG2-CD1 4.02Å; T281-L285 HydrophobicContact CG2-CG 4.4Å; T281-L285 WeakPolarHBondContact O-CG 3.49Å; T281-L285 PolarHBondContact O-N 3.1Å; S282-L285 PolarHBondContact O-N 3.21Å; L285-K287 VanDerWaalsContact C-N 3.32Å; L285-D288 PolarHBondContact O-N 3.49Å; L285-I289 WeakPolarHBondContact O-CG1 3.45Å; L285-I289 PolarHBondContact O-N 3.48Å
286	M	98.5	Very high	97.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-71.8	-29.9	179.7	-59.7	-48.5	155.2	0	0	112	W192 L194 L265 L268 V269 S282 T284 I289 V290 M378	W192-M286 HydrophobicContact CH2-CE 4.41Å; W192-M286 HydrophobicContact CZ3-CE 4.24Å; L194-M286 HydrophobicContact CD1-CE 4.15Å; L265-M286 HydrophobicContact CD1-CB 3.82Å; L268-M286 HydrophobicContact CB-CB 3.84Å; L268-M286 HydrophobicContact CB-CG 3.79Å; L268-M286 HydrophobicContact CB-SD 3.99Å; L268-M286 WeakPolarHBondContact O-CG 3.5Å; V269-M286 HydrophobicContact CG2-CB 3.84Å; V269-M286 HydrophobicContact CG2-CG 4.12Å; S282-M286 VanDerWaalsContact O-CB 3.32Å; S282-M286 WeakPolarHBondContact O-CB 3.41Å; S282-M286 WeakPolarHBondContact O-CG 3.41Å; S282-M286 PolarHBondContact O-N 3.06Å; T284-M286 PolarHBondContact O-N 2.95Å; M286-I289 PolarHBondContact O-N 3.02Å; M286-I289 HydrophobicContact SD-CD1 3.71Å; M286-V290 VanDerWaalsContact O-CG2 3.31Å; M286-V290 WeakPolarHBondContact O-CG2 3.45Å; M286-V290 PolarHBondContact O-N 2.99Å; M286-M378 HydrophobicContact CE-CE 3.35Å; M286-M378 HydrophobicContact SD-CE 3.31Å; M286-M378 WeakPolarHBondContact SD-CE 3.42Å
287	K	98.4	Very high	97.9	Very high	106 Å²	106	48.1 Å²	48.1	46%	0.461	25%	0.25	S	S	.	.	H	α-helix	trans	-63.1	-47.5	170.4	-176.1	-173.1	171.4	65.7	0	110.7	L265 K283 T284 L285 I289 V290 D291	L265-K287 HydrophobicContact CD1-CB 4.3Å; K283-K287 VanDerWaalsContact O-CB 3.29Å; K283-K287 WeakPolarHBondContact O-CB 3.4Å; K283-K287 PolarHBondContact O-N 3.29Å; K283-K287 VanDerWaalsContact O-N 3.15Å; T284-K287 WeakPolarHBondContact O-CB 3.33Å; T284-K287 PolarHBondContact O-N 3.11Å; L285-K287 VanDerWaalsContact C-N 3.32Å; K287-I289 VanDerWaalsContact C-N 3.27Å; K287-I289 PolarHBondContact O-N 3.38Å; K287-V290 PolarHBondContact O-N 2.95Å; K287-V290 VanDerWaalsContact O-N 3.13Å; K287-D291 PolarHBondContact O-N 2.88Å
288	D	98.6	Very high	97.9	Very high	66 Å²	66	52.8 Å²	52.8	35%	0.353	27%	0.274	S	S	.	.	H	α-helix	trans	-60.8	-38.2	177.8	-65.2	-19.7	0	0	0	111.7	T284 L285 D291 F292 L371	T284-D288 PolarHBondContact O-N 2.94Å; T284-D288 VanDerWaalsContact O-N 3.12Å; L285-D288 PolarHBondContact O-N 3.49Å; D288-D291 PolarHBondContact O-N 3.23Å; D288-F292 VanDerWaalsContact O-CB 3.31Å; D288-F292 WeakPolarHBondContact O-CB 3.31Å; D288-F292 PolarHBondContact O-N 3.39Å; D288-L371 HydrophobicContact CB-CD1 3.74Å; D288-L371 HydrophobicContact CB-CD2 4.3Å
289	I	98.6	Very high	98	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-46.6	173.4	-77.3	165.6	0	0	0	111.6	L268 L285 M286 K287 D291 F292 E293 L371 N374 Y375 M378	L268-I289 HydrophobicContact CD1-CG2 4.06Å; L285-I289 WeakPolarHBondContact O-CG1 3.45Å; L285-I289 PolarHBondContact O-N 3.48Å; M286-I289 PolarHBondContact O-N 3.02Å; M286-I289 HydrophobicContact SD-CD1 3.71Å; K287-I289 VanDerWaalsContact C-N 3.27Å; K287-I289 PolarHBondContact O-N 3.38Å; I289-D291 VanDerWaalsContact C-N 3.34Å; I289-F292 PolarHBondContact O-N 3.43Å; I289-E293 WeakPolarHBondContact O-CB 3.37Å; I289-E293 PolarHBondContact O-N 3.14Å; I289-L371 HydrophobicContact CG1-CD1 4.12Å; I289-N374 HydrophobicContact CD1-CB 4.12Å; I289-Y375 HydrophobicContact CG2-CD2 4.1Å; I289-M378 HydrophobicContact CD1-CB 3.93Å; I289-M378 HydrophobicContact CD1-CG 4.3Å
290	V	98.4	Very high	98.1	Very high	12 Å²	12	44.4 Å²	44.4	7%	0.073	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-39.1	178.8	171.2	0	0	0	0	111.1	Y264 L265 L268 M286 K287 E293 T294	Y264-V290 HydrophobicContact CD1-CG2 3.89Å; Y264-V290 HydrophobicContact CE1-CG2 4.01Å; L265-V290 HydrophobicContact CB-CG2 4.42Å; L265-V290 HydrophobicContact CD1-CG2 4.24Å; L268-V290 HydrophobicContact CD1-CG2 3.88Å; M286-V290 VanDerWaalsContact O-CG2 3.31Å; M286-V290 WeakPolarHBondContact O-CG2 3.45Å; M286-V290 PolarHBondContact O-N 2.99Å; K287-V290 PolarHBondContact O-N 2.95Å; K287-V290 VanDerWaalsContact O-N 3.13Å; V290-E293 PolarHBondContact O-N 3.24Å; V290-T294 WeakPolarHBondContact O-CB 3.44Å; V290-T294 PolarHBondContact O-N 2.98Å; V290-T294 PolarHBondContact O-OG1 2.94Å
291	D	98.1	Very high	98.1	Very high	70 Å²	70	38.6 Å²	38.6	37%	0.374	20%	0.204	S	C	.	.	H	α-helix	trans	-68.2	-39.6	177.3	-72.5	-24	0	0	0	111.4	K287 D288 I289 T294 T295	K287-D291 PolarHBondContact O-N 2.88Å; D288-D291 PolarHBondContact O-N 3.23Å; I289-D291 VanDerWaalsContact C-N 3.34Å; D291-T294 PolarHBondContact O-N 3.32Å; D291-T295 PolarHBondContact O-N 3.29Å; D291-T295 VanDerWaalsContact O-N 3.12Å; D291-T295 PolarHBondContact O-OG1 3.41Å; D291-T295 VanDerWaalsContact O-OG1 3.06Å
292	F	98.6	Very high	97.9	Very high	9 Å²	9	36.9 Å²	36.9	4%	0.039	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-48.6	171.5	179.1	-93	0	0	0	111.7	F219 D288 I289 T294 T295 L296 L363 T367 L371 L372 Y375	F219-F292 HydrophobicContact CD1-CE1 4.24Å; F219-F292 HydrophobicContact CD1-CZ 4.17Å; F219-F292 AromaticContact CE1-CE1 3.78Å; F219-F292 HydrophobicContact CE1-CE1 3.78Å; F219-F292 AromaticContact CE1-CZ 3.67Å; F219-F292 HydrophobicContact CE1-CZ 3.67Å; D288-F292 VanDerWaalsContact O-CB 3.31Å; D288-F292 WeakPolarHBondContact O-CB 3.31Å; D288-F292 PolarHBondContact O-N 3.39Å; I289-F292 PolarHBondContact O-N 3.43Å; F292-T294 VanDerWaalsContact C-N 3.29Å; F292-T294 PolarHBondContact O-N 2.91Å; F292-T295 WeakPolarHBondContact O-CA 3.47Å; F292-T295 WeakPolarHBondContact O-CB 3.48Å; F292-T295 PolarHBondContact O-N 3.08Å; F292-L296 PolarHBondContact O-N 2.69Å; F292-L363 HydrophobicContact CD2-CD1 4.4Å; F292-L363 HydrophobicContact CD2-CD2 4.45Å; F292-L363 HydrophobicContact CD2-CG 4.45Å; F292-L363 HydrophobicContact CE2-CD1 4.04Å; F292-L363 HydrophobicContact CE2-CD2 3.82Å; F292-L363 HydrophobicContact CE2-CG 3.68Å; F292-L363 HydrophobicContact CZ-CD2 3.91Å; F292-L363 HydrophobicContact CZ-CG 4.12Å; F292-T367 HydrophobicContact CD2-CG2 3.9Å; F292-T367 HydrophobicContact CE2-CG2 3.85Å; F292-L371 HydrophobicContact CB-CD2 4.32Å; F292-L372 HydrophobicContact CE2-CD2 4.04Å; F292-L372 HydrophobicContact CZ-CD2 3.99Å; F292-Y375 HydrophobicContact CD1-CD1 4.11Å; F292-Y375 AromaticContact CD1-CD2 3.95Å; F292-Y375 HydrophobicContact CD1-CD2 3.95Å; F292-Y375 HydrophobicContact CD1-CE1 4.36Å; F292-Y375 HydrophobicContact CD1-CE2 4.25Å; F292-Y375 AromaticContact CD1-CG 3.88Å; F292-Y375 HydrophobicContact CD1-CG 3.88Å; F292-Y375 AromaticContact CE1-CD1 3.67Å; F292-Y375 HydrophobicContact CE1-CD1 3.67Å; F292-Y375 HydrophobicContact CE1-CD2 4.34Å; F292-Y375 AromaticContact CE1-CE1 3.86Å; F292-Y375 HydrophobicContact CE1-CE1 3.86Å; F292-Y375 AromaticContact CE1-CG 3.93Å; F292-Y375 HydrophobicContact CE1-CG 3.93Å
293	E	98.1	Very high	97.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.7	-30.1	179.8	-165.4	168.3	-126.3	0	0	112.3	L243 G244 Y251 Y264 I289 V290 T295 L296 A297 Y375 K379	L243-E293 HydrophobicContact CB-CG 4.46Å; L243-E293 HydrophobicContact CD2-CG 3.97Å; G244-E293 VanDerWaalsContact N-CD 3.26Å; G244-E293 PolarHBondContact N-OE1 3.3Å; G244-E293 PolarHBondContact N-OE2 3.14Å; Y251-E293 HydrophobicContact CE1-CB 4.19Å; Y251-E293 HydrophobicContact CE1-CG 3.95Å; Y251-E293 PolarHBondContact OH-OE2 2.82Å; Y264-E293 WeakPolarHBondContact CE1-OE2 3.36Å; Y264-E293 PolarHBondContact OH-OE2 3.17Å; I289-E293 WeakPolarHBondContact O-CB 3.37Å; I289-E293 PolarHBondContact O-N 3.14Å; V290-E293 PolarHBondContact O-N 3.24Å; E293-T295 VanDerWaalsContact C-N 3.31Å; E293-T295 PolarHBondContact O-N 3.46Å; E293-L296 WeakPolarHBondContact O-CB 3.49Å; E293-L296 PolarHBondContact O-N 3.07Å; E293-A297 WeakPolarHBondContact O-CB 3.44Å; E293-A297 PolarHBondContact O-N 3.31Å; E293-Y375 HydrophobicContact CB-CE2 4.14Å; E293-Y375 HydrophobicContact CG-CE2 4.21Å; E293-Y375 PolarHBondContact OE1-OH 2.93Å; E293-Y375 VanDerWaalsContact OE1-OH 3.11Å; E293-K379 IonicContact OE1-NZ 2.56Å
294	T	98	Very high	97.1	Very high	18 Å²	18	38.4 Å²	38.4	11%	0.11	21%	0.206	C	C	.	.	H	α-helix	trans	-62.7	-39.3	169.9	-60	0	0	0	0	111.3	V290 D291 F292 L296 A297 N298	V290-T294 WeakPolarHBondContact O-CB 3.44Å; V290-T294 PolarHBondContact O-N 2.98Å; V290-T294 PolarHBondContact O-OG1 2.94Å; D291-T294 PolarHBondContact O-N 3.32Å; F292-T294 VanDerWaalsContact C-N 3.29Å; F292-T294 PolarHBondContact O-N 2.91Å; T294-L296 VanDerWaalsContact C-N 3.34Å; T294-A297 PolarHBondContact O-N 3.28Å; T294-N298 PolarHBondContact O-N 3.21Å; T294-N298 VanDerWaalsContact O-N 3.13Å
295	T	98.2	Very high	96.9	Very high	66 Å²	66	41 Å²	41	41%	0.405	21%	0.212	S	C	.	.	H	α-helix	trans	-66.4	-39.8	174.9	-54	0	0	0	0	110.8	D291 F292 E293 N298 I299 L363	D291-T295 PolarHBondContact O-N 3.29Å; D291-T295 VanDerWaalsContact O-N 3.12Å; D291-T295 PolarHBondContact O-OG1 3.41Å; D291-T295 VanDerWaalsContact O-OG1 3.06Å; F292-T295 WeakPolarHBondContact O-CA 3.47Å; F292-T295 WeakPolarHBondContact O-CB 3.48Å; F292-T295 PolarHBondContact O-N 3.08Å; E293-T295 VanDerWaalsContact C-N 3.31Å; E293-T295 PolarHBondContact O-N 3.46Å; T295-N298 WeakPolarHBondContact O-CB 3.46Å; T295-N298 PolarHBondContact O-N 2.97Å; T295-I299 WeakPolarHBondContact O-CG1 3.3Å; T295-I299 PolarHBondContact O-N 3.35Å; T295-L363 HydrophobicContact CG2-CD1 3.78Å; T295-L363 HydrophobicContact CG2-CD2 4.08Å
296	L	98.3	Very high	96.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-45.1	174.1	-168.2	61.4	0	0	0	111.7	L243 F292 E293 T294 N298 I299 T300 Y356 V360 L363	L243-L296 HydrophobicContact CD2-CB 4.29Å; L243-L296 HydrophobicContact CD2-CD2 3.96Å; L243-L296 HydrophobicContact CD2-CG 4.03Å; F292-L296 PolarHBondContact O-N 2.69Å; E293-L296 WeakPolarHBondContact O-CB 3.49Å; E293-L296 PolarHBondContact O-N 3.07Å; T294-L296 VanDerWaalsContact C-N 3.34Å; L296-N298 VanDerWaalsContact C-N 3.25Å; L296-N298 PolarHBondContact O-N 3.3Å; L296-I299 WeakPolarHBondContact O-CA 3.5Å; L296-I299 WeakPolarHBondContact O-CB 3.38Å; L296-I299 PolarHBondContact O-N 3.12Å; L296-T300 PolarHBondContact O-N 3.45Å; L296-T300 PolarHBondContact O-OG1 3.03Å; L296-T300 VanDerWaalsContact O-OG1 3.05Å; L296-Y356 HydrophobicContact CD1-CE2 4.22Å; L296-Y356 WeakPolarHBondContact CD1-OH 3.4Å; L296-V360 HydrophobicContact CD1-CG2 3.5Å; L296-L363 HydrophobicContact CD1-CD2 4.41Å
297	A	98	Very high	96.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-36.1	176.5	0	0	0	0	0	113	L243 R248 Y251 E293 T294 I299 T300	L243-A297 HydrophobicContact CD1-CB 3.6Å; R248-A297 HydrophobicContact CB-CB 4.12Å; R248-A297 PolarHBondContact NE-O 3.22Å; R248-A297 VanDerWaalsContact NE-O 3.13Å; Y251-A297 HydrophobicContact CD2-CB 3.72Å; Y251-A297 HydrophobicContact CE2-CB 4.48Å; Y251-A297 HydrophobicContact CG-CB 3.75Å; E293-A297 WeakPolarHBondContact O-CB 3.44Å; E293-A297 PolarHBondContact O-N 3.31Å; T294-A297 PolarHBondContact O-N 3.28Å; A297-I299 VanDerWaalsContact C-N 3.28Å; A297-I299 PolarHBondContact O-N 2.81Å; A297-T300 WeakPolarHBondContact O-CB 3.43Å; A297-T300 PolarHBondContact O-N 2.8Å
298	N	97.9	Very high	96.2	Very high	107 Å²	107	40.2 Å²	40.2	57%	0.572	21%	0.208	S	C	*	.	H	α-helix	trans	-67.5	-30.3	175	-170.8	58.3	0	0	0	112.6	L252 T294 T295 L296	L252-N298 HydrophobicContact CD2-CB 3.9Å; T294-N298 PolarHBondContact O-N 3.21Å; T294-N298 VanDerWaalsContact O-N 3.13Å; T295-N298 WeakPolarHBondContact O-CB 3.46Å; T295-N298 PolarHBondContact O-N 2.97Å; L296-N298 VanDerWaalsContact C-N 3.25Å; L296-N298 PolarHBondContact O-N 3.3Å
299	I	98.3	Very high	96	Very high	22 Å²	22	38.2 Å²	38.2	11%	0.113	20%	0.197	C	C	.	.	H	α-helix	trans	-79.6	-33.5	176.9	-63.6	165.3	0	0	0	111.4	T295 L296 A297 V301 Y356 K359 V360 L363	T295-I299 WeakPolarHBondContact O-CG1 3.3Å; T295-I299 PolarHBondContact O-N 3.35Å; L296-I299 WeakPolarHBondContact O-CA 3.5Å; L296-I299 WeakPolarHBondContact O-CB 3.38Å; L296-I299 PolarHBondContact O-N 3.12Å; A297-I299 VanDerWaalsContact C-N 3.28Å; A297-I299 PolarHBondContact O-N 2.81Å; I299-V301 PolarHBondContact O-N 2.91Å; I299-Y356 HydrophobicContact CB-CD2 4.46Å; I299-Y356 HydrophobicContact CG2-CD2 3.64Å; I299-Y356 HydrophobicContact CG2-CE2 4.11Å; I299-Y356 HydrophobicContact CG2-CG 4.28Å; I299-K359 HydrophobicContact CB-CB 4.4Å; I299-K359 HydrophobicContact CD1-CB 4.07Å; I299-K359 HydrophobicContact CG1-CB 4.07Å; I299-K359 HydrophobicContact CG1-CD 4.44Å; I299-K359 HydrophobicContact CG2-CB 3.43Å; I299-K359 VanDerWaalsContact CG2-CB 3.43Å; I299-K359 HydrophobicContact CG2-CD 3.92Å; I299-K359 HydrophobicContact CG2-CG 4.34Å; I299-V360 HydrophobicContact CG2-CG2 4.11Å; I299-L363 HydrophobicContact CD1-CB 4.24Å; I299-L363 HydrophobicContact CD1-CD2 3.87Å
300	T	98.1	Very high	95.8	Very high	11 Å²	11	42.5 Å²	42.5	7%	0.067	22%	0.217	C	C	.	.	S	Bend	trans	-53.7	130.6	177.8	-57.8	0	0	0	0	111.9	R248 L296 A297	R248-T300 PolarHBondContact NE-O 2.68Å; L296-T300 PolarHBondContact O-N 3.45Å; L296-T300 PolarHBondContact O-OG1 3.03Å; L296-T300 VanDerWaalsContact O-OG1 3.05Å; A297-T300 WeakPolarHBondContact O-CB 3.43Å; A297-T300 PolarHBondContact O-N 2.8Å
301	V	96.8	Very high	95.7	Very high	34 Å²	34	47.7 Å²	47.7	21%	0.206	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-74.1	133.4	178.7	-175.5	0	0	0	0	109.6	Q240 I299 E305 R306	Q240-V301 PolarHBondContact NE2-O 2.99Å; I299-V301 PolarHBondContact O-N 2.91Å; V301-E305 HydrophobicContact CG1-CB 3.9Å; V301-R306 HydrophobicContact CB-CG 4.22Å; V301-R306 HydrophobicContact CG1-CG 3.83Å
302	P	93.4	Very high	95.6	Very high	19 Å²	19	45.3 Å²	45.3	12%	0.123	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-57.9	148.9	176.7	-22.8	33.5	0	0	0	113.4	E304 E305 R306	P302-E304 VanDerWaalsContact C-N 3.3Å; P302-E304 HydrophobicContact CB-CG 4.32Å; P302-E304 WeakPolarHBondContact CB-OE1 3.46Å; P302-E304 VanDerWaalsContact CB-OE2 3.3Å; P302-E304 WeakPolarHBondContact CB-OE2 3.32Å; P302-E304 PolarHBondContact O-N 3.39Å; P302-E305 PolarHBondContact O-N 3.04Å; P302-R306 WeakPolarHBondContact O-CG 3.47Å
303	L	90.6	Very high	95.6	Very high	81 Å²	81	45.6 Å²	45.6	42%	0.424	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-63.9	-35	-174.6	-69.8	175.5	0	0	0	112.6	E305 R306	L303-E305 VanDerWaalsContact C-N 3.27Å; L303-E305 PolarHBondContact O-N 3.35Å; L303-R306 PolarHBondContact O-N 3.39Å; L303-R306 VanDerWaalsContact O-N 3.12Å
304	E	89.4	Confident	95.6	Very high	83 Å²	83	48 Å²	48	39%	0.388	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-65.3	-28.1	178.2	64.4	-86.4	-152.9	0	0	113.5	P302 R306	P302-E304 VanDerWaalsContact C-N 3.3Å; P302-E304 HydrophobicContact CB-CG 4.32Å; P302-E304 WeakPolarHBondContact CB-OE1 3.46Å; P302-E304 VanDerWaalsContact CB-OE2 3.3Å; P302-E304 WeakPolarHBondContact CB-OE2 3.32Å; P302-E304 PolarHBondContact O-N 3.39Å; E304-R306 VanDerWaalsContact C-N 3.26Å
305	E	91.7	Very high	95.6	Very high	128 Å²	128	51.8 Å²	51.8	60%	0.598	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-82.9	-6.1	176.5	-66.8	-179.5	-157.1	0	0	112.2	V301 P302 L303	V301-E305 HydrophobicContact CG1-CB 3.9Å; P302-E305 PolarHBondContact O-N 3.04Å; L303-E305 VanDerWaalsContact C-N 3.27Å; L303-E305 PolarHBondContact O-N 3.35Å
306	R	93.9	Very high	95.6	Very high	33 Å²	33	49.8 Å²	49.8	13%	0.125	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-108.9	12.1	-176.5	-60.7	177.9	62.9	70.3	10.3	113.7	D239 V301 P302 L303 E304 I312	D239-R306 IonicContact OD1-CZ 3.07Å; D239-R306 IonicContact OD1-NH1 3.37Å; D239-R306 PolarHBondContact OD1-NH1 3.48Å; D239-R306 IonicContact OD1-NH2 3.77Å; D239-R306 PolarHBondContact OD1-NH2 2.95Å; D239-R306 IonicContact OD2-CZ 3.38Å; D239-R306 IonicContact OD2-NH2 3.14Å; D239-R306 PolarHBondContact OD2-NH2 3.04Å; V301-R306 HydrophobicContact CB-CG 4.22Å; V301-R306 HydrophobicContact CG1-CG 3.83Å; P302-R306 WeakPolarHBondContact O-CG 3.47Å; L303-R306 PolarHBondContact O-N 3.39Å; L303-R306 VanDerWaalsContact O-N 3.12Å; E304-R306 VanDerWaalsContact C-N 3.26Å; R306-I312 HydrophobicContact CB-CD1 4.43Å
307	R	93.1	Very high	95.6	Very high	35 Å²	35	53.1 Å²	53.1	13%	0.132	26%	0.261	C	S	.	.			trans	-82.4	-30.1	-178.1	-64.6	-168.6	65.1	78.7	9.6	113.4	E309 D597 Q598 H645	R307-E309 PolarHBondContact O-N 3.21Å; R307-D597 IonicContact CZ-OD1 3.79Å; R307-D597 IonicContact CZ-OD2 3.88Å; R307-D597 IonicContact NE-OD2 2.75Å; R307-D597 PolarHBondContact NE-OD2 3.04Å; R307-D597 IonicContact NH2-OD1 2.73Å; R307-D597 PolarHBondContact NH2-OD1 3.46Å; R307-D597 IonicContact NH2-OD2 2.9Å; R307-D597 PolarHBondContact NH2-OD2 3.26Å; R307-D597 VanDerWaalsContact NH2-OD2 3.12Å; R307-Q598 WeakPolarHBondContact O-CG 2.9Å; R307-Q598 PolarHBondContact O-NE2 3.42Å; R307-H645 PolarHBondContact NH1-O 3.13Å
308	D	94.9	Very high	95.6	Very high	49 Å²	49	53.2 Å²	53.2	26%	0.262	26%	0.261	S	S	.	.			trans	-86	101.2	179.1	-173.3	-40	0	0	0	109.6	E310 L311 I312	D308-E310 VanDerWaalsContact C-N 3.3Å; D308-E310 PolarHBondContact O-N 3.29Å; D308-E310 WeakPolarHBondContact OD1-CB 3.48Å; D308-E310 PolarHBondContact OD1-N 3.18Å; D308-E310 VanDerWaalsContact OD1-N 3.16Å; D308-L311 HydrophobicContact CB-CB 4.28Å; D308-L311 HydrophobicContact CB-CD1 4.02Å; D308-L311 HydrophobicContact CB-CG 4.2Å; D308-L311 PolarHBondContact O-N 3.1Å; D308-L311 WeakPolarHBondContact OD1-CG 3.27Å; D308-L311 PolarHBondContact OD1-N 2.82Å; D308-L311 WeakPolarHBondContact OD2-CD1 3.09Å; D308-I312 WeakPolarHBondContact O-CG1 3.43Å; D308-I312 PolarHBondContact O-N 2.7Å
309	E	94.5	Very high	95.6	Very high	25 Å²	25	51.7 Å²	51.7	12%	0.117	25%	0.25	C	C	.	.	H	α-helix	trans	-66.2	-35.2	-176.1	-177.9	83.9	177.3	0	0	110.8	S228 R307 L311 I312 Y313 Y352 E601 Y602 L608	S228-E309 PolarHBondContact OG-OE1 3.23Å; R307-E309 PolarHBondContact O-N 3.21Å; E309-L311 VanDerWaalsContact C-N 3.25Å; E309-L311 PolarHBondContact O-N 3.05Å; E309-I312 PolarHBondContact O-N 2.74Å; E309-Y313 WeakPolarHBondContact O-CB 3.29Å; E309-Y313 PolarHBondContact O-N 3.19Å; E309-Y352 WeakPolarHBondContact OE1-CE1 3.03Å; E309-E601 PolarHBondContact N-OE2 3.23Å; E309-Y602 VanDerWaalsContact CG-OH 3.3Å; E309-Y602 WeakPolarHBondContact CG-OH 2.8Å; E309-L608 HydrophobicContact CB-CD1 4.07Å; E309-L608 HydrophobicContact CB-CD2 4.28Å; E309-L608 HydrophobicContact CG-CD1 4.05Å; E309-L608 HydrophobicContact CG-CD2 3.57Å; E309-L608 HydrophobicContact CG-CG 4.41Å
310	E	94.3	Very high	95.6	Very high	91 Å²	91	53.1 Å²	53.1	43%	0.425	26%	0.258	S	S	.	.	H	α-helix	trans	-60.1	-37.3	179.1	-174.2	168.2	-158.8	0	0	112	D308 E601	D308-E310 VanDerWaalsContact C-N 3.3Å; D308-E310 PolarHBondContact O-N 3.29Å; D308-E310 WeakPolarHBondContact OD1-CB 3.48Å; D308-E310 PolarHBondContact OD1-N 3.18Å; D308-E310 VanDerWaalsContact OD1-N 3.16Å; E310-E601 PolarHBondContact N-OE2 2.91Å
311	L	95.5	Very high	95.6	Very high	120 Å²	120	52.6 Å²	52.6	63%	0.628	25%	0.254	S	S	*	.	H	α-helix	trans	-75.3	-39.7	178.3	-68.3	-179.3	0	0	0	113.7	D308 E309 H314	D308-L311 HydrophobicContact CB-CB 4.28Å; D308-L311 HydrophobicContact CB-CD1 4.02Å; D308-L311 HydrophobicContact CB-CG 4.2Å; D308-L311 PolarHBondContact O-N 3.1Å; D308-L311 WeakPolarHBondContact OD1-CG 3.27Å; D308-L311 PolarHBondContact OD1-N 2.82Å; D308-L311 WeakPolarHBondContact OD2-CD1 3.09Å; E309-L311 VanDerWaalsContact C-N 3.25Å; E309-L311 PolarHBondContact O-N 3.05Å; L311-H314 PolarHBondContact O-CE1 2.93Å; L311-H314 PolarHBondContact O-NE2 2.93Å
312	I	96.6	Very high	95.6	Very high	21 Å²	21	56.8 Å²	56.8	11%	0.108	27%	0.27	C	S	.	.	H	α-helix	trans	-88.4	-15.8	-175.7	65.3	172.8	0	0	0	113.2	R306 D308 E309 H314 Y352	R306-I312 HydrophobicContact CB-CD1 4.43Å; D308-I312 WeakPolarHBondContact O-CG1 3.43Å; D308-I312 PolarHBondContact O-N 2.7Å; E309-I312 PolarHBondContact O-N 2.74Å; I312-H314 PolarHBondContact O-CD2 3.27Å; I312-H314 VanDerWaalsContact O-CD2 3.29Å; I312-H314 PolarHBondContact O-N 3.15Å; I312-Y352 HydrophobicContact CD1-CD1 4.07Å; I312-Y352 HydrophobicContact CG1-CD1 4.06Å; I312-Y352 WeakPolarHBondContact O-CA 3.35Å
313	Y	98.3	Very high	95.7	Very high	14 Å²	14	61.2 Å²	61.2	6%	0.055	29%	0.293	C	S	.	.			trans	-70.8	114.2	178.5	-178.4	-80.2	0	0	0	111.5	D227 K229 E309 K315 V350 L608	D227-Y313 PolarHBondContact OD1-OH 3.42Å; K229-Y313 HydrophobicContact CB-CE1 4.34Å; K229-Y313 HydrophobicContact CD-CD1 3.84Å; K229-Y313 HydrophobicContact CD-CE1 3.54Å; K229-Y313 HydrophobicContact CG-CD1 4.13Å; K229-Y313 HydrophobicContact CG-CE1 3.72Å; K229-Y313 HydrophobicContact CG-CE2 4.12Å; E309-Y313 WeakPolarHBondContact O-CB 3.29Å; E309-Y313 PolarHBondContact O-N 3.19Å; Y313-K315 HydrophobicContact CE1-CB 4Å; Y313-K315 WeakPolarHBondContact OH-CE 3.37Å; Y313-K315 PolarHBondContact OH-NZ 3.43Å; Y313-V350 HydrophobicContact CD2-CG1 3.76Å; Y313-V350 HydrophobicContact CD2-CG2 4.42Å; Y313-V350 HydrophobicContact CE2-CB 4.44Å; Y313-V350 HydrophobicContact CE2-CG1 3.84Å; Y313-V350 HydrophobicContact CE2-CG2 3.65Å; Y313-V350 HydrophobicContact CG-CG1 4.36Å; Y313-L608 HydrophobicContact CD2-CD2 4.39Å; Y313-L608 HydrophobicContact CG-CD2 4.27Å
314	H	98.2	Very high	96	Very high	52 Å²	52	58.5 Å²	58.5	24%	0.241	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	108.4	173.8	-51.5	-55.7	0	0	0	113.1	L311 I312 V350 V351 K354	L311-H314 PolarHBondContact O-CE1 2.93Å; L311-H314 PolarHBondContact O-NE2 2.93Å; I312-H314 PolarHBondContact O-CD2 3.27Å; I312-H314 VanDerWaalsContact O-CD2 3.29Å; I312-H314 PolarHBondContact O-N 3.15Å; H314-V350 CarbonylContact O-C 3.5Å; H314-V350 WeakPolarHBondContact O-CA 3.15Å; H314-V351 WeakPolarHBondContact CB-O 3.45Å; H314-V351 PolarHBondContact CD2-O 3Å; H314-V351 PolarHBondContact N-O 3.2Å; H314-V351 PolarHBondContact O-N 2.93Å; H314-K354 HydrophobicContact CB-CD 4.15Å; H314-K354 VanDerWaalsContact CG-CE 3.48Å
315	K	98.3	Very high	96.4	Very high	96 Å²	96	54.7 Å²	54.7	42%	0.417	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.3	173.9	-171.9	174.2	-74.7	158.3	0	111.2	D227 Y313 P348 V349	D227-K315 IonicContact OD1-NZ 2.74Å; D227-K315 PolarHBondContact OD1-NZ 3.32Å; D227-K315 WeakPolarHBondContact OD2-CE 3.42Å; D227-K315 IonicContact OD2-NZ 3.72Å; D227-K315 PolarHBondContact OD2-NZ 3.36Å; Y313-K315 HydrophobicContact CE1-CB 4Å; Y313-K315 WeakPolarHBondContact OH-CE 3.37Å; Y313-K315 PolarHBondContact OH-NZ 3.43Å; K315-P348 HydrophobicContact CD-CB 4.35Å; K315-P348 HydrophobicContact CG-CB 4.47Å; K315-V349 CarbonylContact C-O 3.56Å; K315-V349 WeakPolarHBondContact CA-O 3.32Å
316	V	98.2	Very high	96.7	Very high	24 Å²	24	53.2 Å²	53.2	15%	0.145	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	171.1	176.2	-59.9	0	0	0	0	110.1	D320 L321 V349 V351	V316-D320 HydrophobicContact CB-CB 4.35Å; V316-L321 HydrophobicContact CG2-CD2 3.88Å; V316-L321 HydrophobicContact CG2-CG 4.49Å; V316-V349 HydrophobicContact CG2-CB 4.32Å; V316-V349 PolarHBondContact N-O 3.15Å; V316-V349 PolarHBondContact O-N 3.24Å; V316-V351 HydrophobicContact CG2-CG2 3.85Å
317	Q	98.4	Very high	96.9	Very high	71 Å²	71	53.4 Å²	53.4	33%	0.332	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	152	168.3	-59.7	178.5	18.9	0	0	109.9	K319 D320 E347	Q317-K319 HydrophobicContact CB-CG 4.14Å; Q317-K319 PolarHBondContact O-N 2.83Å; Q317-K319 VanDerWaalsContact O-N 3.16Å; Q317-D320 WeakPolarHBondContact CB-OD2 3.45Å; Q317-D320 PolarHBondContact N-OD2 3.1Å; Q317-D320 VanDerWaalsContact N-OD2 3.13Å; Q317-D320 WeakPolarHBondContact O-CB 3.36Å; Q317-D320 PolarHBondContact O-N 3.45Å; Q317-E347 CarbonylContact C-O 3.51Å; Q317-E347 WeakPolarHBondContact CA-O 3.31Å
318	A	98.4	Very high	97.1	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.008	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-55.3	-34.9	179.3	0	0	0	0	0	112.9	D320 L321 M331 L334 E347 V349	A318-D320 PolarHBondContact O-N 3.13Å; A318-L321 WeakPolarHBondContact O-CB 3.27Å; A318-L321 PolarHBondContact O-N 3.21Å; A318-M331 HydrophobicContact CB-SD 3.71Å; A318-L334 HydrophobicContact CB-CD1 3.98Å; A318-E347 HydrophobicContact CB-CB 3.95Å; A318-E347 PolarHBondContact N-O 2.77Å; A318-V349 HydrophobicContact CB-CG2 4.13Å
319	K	97.4	Very high	97.2	Very high	76 Å²	76	53.2 Å²	53.2	33%	0.33	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-63.5	-26.7	174.9	77.1	-167.2	-171	-162.9	0	114.2	Q317 L321 K322 E345	Q317-K319 HydrophobicContact CB-CG 4.14Å; Q317-K319 PolarHBondContact O-N 2.83Å; Q317-K319 VanDerWaalsContact O-N 3.16Å; K319-L321 VanDerWaalsContact C-N 3.3Å; K319-K322 VanDerWaalsContact O-CD 3.23Å; K319-K322 WeakPolarHBondContact O-CD 3.36Å; K319-K322 WeakPolarHBondContact O-CE 3.49Å; K319-K322 WeakPolarHBondContact O-CG 3.29Å; K319-E345 HydrophobicContact CB-CB 3.97Å; K319-E345 HydrophobicContact CB-CG 4.31Å; K319-E345 WeakPolarHBondContact CB-O 3.41Å; K319-E345 PolarHBondContact N-O 3.16Å
320	D	97.5	Very high	97.4	Very high	52 Å²	52	52.4 Å²	52.4	28%	0.278	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-83	-13.3	-177.3	-51.3	-34	0	0	0	110.8	V316 Q317 A318 K322 D323	V316-D320 HydrophobicContact CB-CB 4.35Å; Q317-D320 WeakPolarHBondContact CB-OD2 3.45Å; Q317-D320 PolarHBondContact N-OD2 3.1Å; Q317-D320 VanDerWaalsContact N-OD2 3.13Å; Q317-D320 WeakPolarHBondContact O-CB 3.36Å; Q317-D320 PolarHBondContact O-N 3.45Å; A318-D320 PolarHBondContact O-N 3.13Å; D320-K322 PolarHBondContact O-N 2.75Å; D320-D323 WeakPolarHBondContact O-CB 3.46Å; D320-D323 PolarHBondContact O-N 3.23Å
321	L	98.3	Very high	97.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-28.4	174.3	-65.4	176.1	0	0	0	112.2	V316 A318 K319 D323 L324 A325 W330 L334 V349 V351	V316-L321 HydrophobicContact CG2-CD2 3.88Å; V316-L321 HydrophobicContact CG2-CG 4.49Å; A318-L321 WeakPolarHBondContact O-CB 3.27Å; A318-L321 PolarHBondContact O-N 3.21Å; K319-L321 VanDerWaalsContact C-N 3.3Å; L321-D323 PolarHBondContact O-N 3.46Å; L321-L324 HydrophobicContact CD2-CD1 4.43Å; L321-L324 PolarHBondContact O-N 2.81Å; L321-L324 VanDerWaalsContact O-N 3.16Å; L321-A325 PolarHBondContact O-N 3.11Å; L321-W330 HydrophobicContact CB-CB 4.28Å; L321-W330 HydrophobicContact CB-CD2 3.64Å; L321-W330 HydrophobicContact CB-CE3 4.33Å; L321-W330 HydrophobicContact CB-CG 3.58Å; L321-W330 HydrophobicContact CB-CZ2 4.44Å; L321-W330 HydrophobicContact CD1-CB 4.44Å; L321-W330 HydrophobicContact CD1-CD2 3.77Å; L321-W330 HydrophobicContact CD1-CE3 3.6Å; L321-W330 HydrophobicContact CD1-CG 4.15Å; L321-W330 HydrophobicContact CD1-CZ3 4.12Å; L321-W330 HydrophobicContact CG-CD2 4.32Å; L321-W330 PolarHBondContact O-NE1 3.27Å; L321-W330 VanDerWaalsContact O-NE1 3.11Å; L321-L334 HydrophobicContact CD1-CD1 4.09Å; L321-V349 HydrophobicContact CD1-CB 4.47Å; L321-V349 HydrophobicContact CD1-CG1 4.22Å; L321-V349 HydrophobicContact CD1-CG2 4.18Å; L321-V349 HydrophobicContact CD2-CG1 4.24Å; L321-V351 HydrophobicContact CD2-CG2 3.7Å
322	K	97.1	Very high	97.7	Very high	121 Å²	121	46.6 Å²	46.6	53%	0.526	24%	0.239	S	C	.	.	H	α-helix	trans	-63.3	-27.4	174.8	81	-168.1	173.8	177.5	0	112.5	K319 D320 P326	K319-K322 VanDerWaalsContact O-CD 3.23Å; K319-K322 WeakPolarHBondContact O-CD 3.36Å; K319-K322 WeakPolarHBondContact O-CE 3.49Å; K319-K322 WeakPolarHBondContact O-CG 3.29Å; D320-K322 PolarHBondContact O-N 2.75Å; K322-P326 WeakPolarHBondContact O-CA 3.41Å; K322-P326 VanDerWaalsContact O-CB 3.29Å; K322-P326 WeakPolarHBondContact O-CB 3.42Å; K322-P326 VanDerWaalsContact O-CD 3.32Å; K322-P326 WeakPolarHBondContact O-CD 3.34Å; K322-P326 VanDerWaalsContact O-N 3.12Å
323	D	96.2	Very high	97.7	Very high	113 Å²	113	45.7 Å²	45.7	60%	0.604	24%	0.235	S	C	*	.	H	α-helix	trans	-78.3	-27.7	179	-58.2	-26.7	0	0	0	110.7	D320 L321	D320-D323 WeakPolarHBondContact O-CB 3.46Å; D320-D323 PolarHBondContact O-N 3.23Å; L321-D323 PolarHBondContact O-N 3.46Å
324	L	95.9	Very high	97.7	Very high	23 Å²	23	45.1 Å²	45.1	12%	0.12	23%	0.232	C	C	.	.	H	α-helix	trans	-81.3	-42.8	174.1	-63.7	176.3	0	0	0	112	L321 V351 K354 Q358	L321-L324 HydrophobicContact CD2-CD1 4.43Å; L321-L324 PolarHBondContact O-N 2.81Å; L321-L324 VanDerWaalsContact O-N 3.16Å; L324-V351 HydrophobicContact CD1-CG1 4.37Å; L324-V351 HydrophobicContact CD1-CG2 4.35Å; L324-K354 HydrophobicContact CD1-CG 4.17Å; L324-K354 HydrophobicContact CD2-CB 4.34Å; L324-K354 HydrophobicContact CD2-CG 4.3Å; L324-Q358 HydrophobicContact CD2-CG 4.32Å; L324-Q358 VanDerWaalsContact O-CA 3.23Å; L324-Q358 WeakPolarHBondContact O-CA 3.49Å; L324-Q358 VanDerWaalsContact O-CG 3.27Å; L324-Q358 WeakPolarHBondContact O-CG 3.35Å
325	A	97.8	Very high	97.6	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.025	24%	0.237	C	C	.	.			trans	-141.7	77.6	-175.5	0	0	0	0	0	111.1	L321 V327 I328 W330 S361	L321-A325 PolarHBondContact O-N 3.11Å; A325-V327 PolarHBondContact O-N 3.25Å; A325-I328 HydrophobicContact CB-CG1 4.4Å; A325-I328 PolarHBondContact O-N 3.21Å; A325-W330 HydrophobicContact CB-CZ2 3.72Å; A325-W330 PolarHBondContact O-NE1 3.27Å; A325-S361 WeakPolarHBondContact CA-OG 3.41Å
326	P	97.9	Very high	97.5	Very high	98 Å²	98	45.1 Å²	45.1	64%	0.636	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.7	-174.6	24.4	-35.4	0	0	0	114.3	K322 I328 S361	K322-P326 WeakPolarHBondContact O-CA 3.41Å; K322-P326 VanDerWaalsContact O-CB 3.29Å; K322-P326 WeakPolarHBondContact O-CB 3.42Å; K322-P326 VanDerWaalsContact O-CD 3.32Å; K322-P326 WeakPolarHBondContact O-CD 3.34Å; K322-P326 VanDerWaalsContact O-N 3.12Å; P326-I328 PolarHBondContact O-N 3.09Å; P326-S361 VanDerWaalsContact CD-OG 3.32Å; P326-S361 WeakPolarHBondContact CD-OG 3.18Å
327	V	97.8	Very high	97.4	Very high	36 Å²	36	44.5 Å²	44.5	22%	0.218	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-12.2	178.3	77.7	0	0	0	0	112.8	Q204 A325 S361 I364	Q204-V327 PolarHBondContact NE2-O 3.29Å; A325-V327 PolarHBondContact O-N 3.25Å; V327-S361 VanDerWaalsContact CG1-OG 3.3Å; V327-S361 WeakPolarHBondContact CG1-OG 3.21Å; V327-S361 PolarHBondContact N-OG 2.89Å; V327-I364 HydrophobicContact CB-CG2 4.43Å; V327-I364 HydrophobicContact CG1-CB 3.95Å; V327-I364 HydrophobicContact CG1-CD1 4.12Å; V327-I364 HydrophobicContact CG1-CG2 3.88Å; V327-I364 HydrophobicContact CG2-CB 4.36Å; V327-I364 HydrophobicContact CG2-CG2 3.67Å
328	I	98.3	Very high	97.2	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.041	22%	0.218	C	C	.	.	S	Bend	trans	-103.5	131.7	-178.2	-52	-57.7	0	0	0	109.9	F203 L207 F220 A325 P326 W330 I364	F203-I328 HydrophobicContact CE1-CD1 3.99Å; F203-I328 HydrophobicContact CZ-CD1 4.26Å; L207-I328 HydrophobicContact CD2-CD1 3.73Å; L207-I328 HydrophobicContact CD2-CG2 4.44Å; F220-I328 HydrophobicContact CE1-CD1 3.81Å; F220-I328 HydrophobicContact CE1-CG1 3.83Å; F220-I328 HydrophobicContact CZ-CD1 4.15Å; F220-I328 HydrophobicContact CZ-CG1 4.07Å; F220-I328 HydrophobicContact CZ-CG2 4Å; A325-I328 HydrophobicContact CB-CG1 4.4Å; A325-I328 PolarHBondContact O-N 3.21Å; P326-I328 PolarHBondContact O-N 3.09Å; I328-W330 VanDerWaalsContact C-N 3.29Å; I328-W330 HydrophobicContact CB-CD2 4.18Å; I328-W330 HydrophobicContact CB-CG 4.39Å; I328-W330 HydrophobicContact CB-CZ2 4.15Å; I328-W330 HydrophobicContact CG1-CZ2 4.22Å; I328-W330 HydrophobicContact CG2-CD2 3.85Å; I328-W330 HydrophobicContact CG2-CE3 4.17Å; I328-W330 HydrophobicContact CG2-CG 4.19Å; I328-W330 HydrophobicContact CG2-CZ2 4.28Å; I328-W330 VanDerWaalsContact O-CD1 3.24Å; I328-W330 PolarHBondContact O-N 3.23Å; I328-I364 HydrophobicContact CD1-CD1 4.12Å
329	D	97.4	Very high	96.9	Very high	73 Å²	73	44.4 Å²	44.4	39%	0.39	24%	0.238	S	C	.	.			trans	-81.8	77.4	172.8	-171.2	15.1	0	0	0	110.1	Q204 R208 M331 P332 Y333	Q204-D329 HydrophobicContact CG-CB 4.23Å; R208-D329 IonicContact NH1-OD2 3.78Å; D329-M331 PolarHBondContact O-N 2.77Å; D329-P332 WeakPolarHBondContact O-CD 3.46Å; D329-P332 WeakPolarHBondContact OD1-CD 3.11Å; D329-P332 WeakPolarHBondContact OD1-CG 3.32Å; D329-P332 VanDerWaalsContact OD2-CG 3.25Å; D329-P332 WeakPolarHBondContact OD2-CG 3.23Å; D329-Y333 VanDerWaalsContact O-CB 3.26Å; D329-Y333 WeakPolarHBondContact O-CB 3.31Å; D329-Y333 PolarHBondContact O-N 2.92Å
330	W	98.3	Very high	96.7	Very high	7 Å²	7	45.8 Å²	45.8	3%	0.027	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-45.3	-164.7	-75.9	103.7	0	0	0	114.6	F220 V238 L321 A325 I328 Y333 L334	F220-W330 HydrophobicContact CD2-CH2 4.07Å; F220-W330 HydrophobicContact CD2-CZ3 4.34Å; F220-W330 HydrophobicContact CE1-CH2 4.31Å; F220-W330 AromaticContact CE2-CH2 3.75Å; F220-W330 HydrophobicContact CE2-CH2 3.75Å; F220-W330 AromaticContact CE2-CZ3 3.79Å; F220-W330 HydrophobicContact CE2-CZ3 3.79Å; F220-W330 HydrophobicContact CG-CH2 4.48Å; F220-W330 AromaticContact CZ-CH2 3.89Å; F220-W330 HydrophobicContact CZ-CH2 3.89Å; F220-W330 HydrophobicContact CZ-CZ3 4.16Å; V238-W330 HydrophobicContact CG1-CH2 4.08Å; V238-W330 HydrophobicContact CG1-CZ3 4.42Å; V238-W330 HydrophobicContact CG2-CZ3 4.36Å; L321-W330 HydrophobicContact CB-CB 4.28Å; L321-W330 HydrophobicContact CB-CD2 3.64Å; L321-W330 HydrophobicContact CB-CE3 4.33Å; L321-W330 HydrophobicContact CB-CG 3.58Å; L321-W330 HydrophobicContact CB-CZ2 4.44Å; L321-W330 HydrophobicContact CD1-CB 4.44Å; L321-W330 HydrophobicContact CD1-CD2 3.77Å; L321-W330 HydrophobicContact CD1-CE3 3.6Å; L321-W330 HydrophobicContact CD1-CG 4.15Å; L321-W330 HydrophobicContact CD1-CZ3 4.12Å; L321-W330 HydrophobicContact CG-CD2 4.32Å; L321-W330 PolarHBondContact O-NE1 3.27Å; L321-W330 VanDerWaalsContact O-NE1 3.11Å; A325-W330 HydrophobicContact CB-CZ2 3.72Å; A325-W330 PolarHBondContact O-NE1 3.27Å; I328-W330 VanDerWaalsContact C-N 3.29Å; I328-W330 HydrophobicContact CB-CD2 4.18Å; I328-W330 HydrophobicContact CB-CG 4.39Å; I328-W330 HydrophobicContact CB-CZ2 4.15Å; I328-W330 HydrophobicContact CG1-CZ2 4.22Å; I328-W330 HydrophobicContact CG2-CD2 3.85Å; I328-W330 HydrophobicContact CG2-CE3 4.17Å; I328-W330 HydrophobicContact CG2-CG 4.19Å; I328-W330 HydrophobicContact CG2-CZ2 4.28Å; I328-W330 VanDerWaalsContact O-CD1 3.24Å; I328-W330 PolarHBondContact O-N 3.23Å; W330-Y333 WeakPolarHBondContact O-CB 3.38Å; W330-Y333 PolarHBondContact O-N 2.94Å; W330-L334 WeakPolarHBondContact O-CB 3.08Å; W330-L334 VanDerWaalsContact O-CG 3.23Å; W330-L334 WeakPolarHBondContact O-CG 3.49Å; W330-L334 PolarHBondContact O-N 3.01Å
331	M	97.6	Very high	96.5	Very high	38 Å²	38	44.4 Å²	44.4	19%	0.187	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-51.7	-176	-75.9	-55.5	-53	0	0	111.7	A318 D329 Y333 L334 T335 L343 N344 E345	A318-M331 HydrophobicContact CB-SD 3.71Å; D329-M331 PolarHBondContact O-N 2.77Å; M331-Y333 VanDerWaalsContact C-N 3.26Å; M331-Y333 PolarHBondContact O-N 2.97Å; M331-L334 PolarHBondContact O-N 3.04Å; M331-T335 WeakPolarHBondContact O-CB 3.38Å; M331-T335 PolarHBondContact O-N 3.21Å; M331-T335 PolarHBondContact O-OG1 2.89Å; M331-L343 HydrophobicContact CE-CB 4.17Å; M331-N344 VanDerWaalsContact CE-C 3.49Å; M331-E345 HydrophobicContact CG-CG 4.19Å; M331-E345 HydrophobicContact SD-CG 4.43Å
332	P	97.7	Very high	96.3	Very high	51 Å²	51	50.3 Å²	50.3	33%	0.331	28%	0.284	S	S	.	.	H	α-helix	trans	-57.4	-37.1	171	-31.3	42.5	0	0	0	113.4	R208 D329 E336	R208-P332 WeakPolarHBondContact CD-O 3.45Å; D329-P332 WeakPolarHBondContact O-CD 3.46Å; D329-P332 WeakPolarHBondContact OD1-CD 3.11Å; D329-P332 WeakPolarHBondContact OD1-CG 3.32Å; D329-P332 VanDerWaalsContact OD2-CG 3.25Å; D329-P332 WeakPolarHBondContact OD2-CG 3.23Å; P332-E336 PolarHBondContact O-N 3.43Å; P332-E336 VanDerWaalsContact O-N 3.12Å
333	Y	97.9	Very high	96.3	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-52.7	175.6	177.9	-86.1	0	0	0	112.6	L207 R208 S211 F220 V222 D329 W330 M331 T335 E336 V337	L207-Y333 HydrophobicContact CD1-CE2 4.25Å; L207-Y333 HydrophobicContact CD2-CD2 4.31Å; L207-Y333 HydrophobicContact CD2-CE2 4.35Å; L207-Y333 HydrophobicContact CG-CD2 4.06Å; L207-Y333 HydrophobicContact CG-CE2 3.83Å; R208-Y333 HydrophobicContact CG-CD2 3.94Å; R208-Y333 HydrophobicContact CG-CG 4.49Å; S211-Y333 WeakPolarHBondContact CB-OH 3.47Å; S211-Y333 VanDerWaalsContact OG-CE2 3.29Å; S211-Y333 WeakPolarHBondContact OG-CE2 3.4Å; S211-Y333 PolarHBondContact OG-OH 3.37Å; F220-Y333 AromaticContact CE2-CE1 3.91Å; F220-Y333 HydrophobicContact CE2-CE1 3.91Å; F220-Y333 HydrophobicContact CE2-CE2 4.32Å; F220-Y333 AromaticContact CE2-CZ 3.75Å; V222-Y333 HydrophobicContact CB-CE1 4.12Å; V222-Y333 HydrophobicContact CG2-CE1 3.62Å; D329-Y333 VanDerWaalsContact O-CB 3.26Å; D329-Y333 WeakPolarHBondContact O-CB 3.31Å; D329-Y333 PolarHBondContact O-N 2.92Å; W330-Y333 WeakPolarHBondContact O-CB 3.38Å; W330-Y333 PolarHBondContact O-N 2.94Å; M331-Y333 VanDerWaalsContact C-N 3.26Å; M331-Y333 PolarHBondContact O-N 2.97Å; Y333-T335 PolarHBondContact O-N 3Å; Y333-E336 PolarHBondContact O-N 3Å; Y333-V337 HydrophobicContact CD1-CG2 4.25Å; Y333-V337 HydrophobicContact CE1-CG2 3.81Å; Y333-V337 HydrophobicContact CE2-CG2 4.29Å; Y333-V337 WeakPolarHBondContact O-CG2 3.28Å; Y333-V337 PolarHBondContact O-N 3.49Å
334	L	97.8	Very high	96.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-40.2	-179.2	-66.5	174.6	0	0	0	111.4	V222 I236 A318 L321 W330 M331 E336 V337 F338 L343	V222-L334 HydrophobicContact CG1-CD2 3.87Å; I236-L334 HydrophobicContact CG2-CD2 4.09Å; A318-L334 HydrophobicContact CB-CD1 3.98Å; L321-L334 HydrophobicContact CD1-CD1 4.09Å; W330-L334 WeakPolarHBondContact O-CB 3.08Å; W330-L334 VanDerWaalsContact O-CG 3.23Å; W330-L334 WeakPolarHBondContact O-CG 3.49Å; W330-L334 PolarHBondContact O-N 3.01Å; M331-L334 PolarHBondContact O-N 3.04Å; L334-E336 VanDerWaalsContact C-N 3.35Å; L334-E336 PolarHBondContact O-N 2.86Å; L334-V337 PolarHBondContact O-N 3.29Å; L334-F338 HydrophobicContact CB-CD2 4.48Å; L334-F338 HydrophobicContact CD2-CD2 4.44Å; L334-F338 HydrophobicContact CD2-CE2 4.02Å; L334-F338 WeakPolarHBondContact O-CB 3.21Å; L334-F338 VanDerWaalsContact O-CD2 3.29Å; L334-F338 WeakPolarHBondContact O-CD2 3.46Å; L334-F338 PolarHBondContact O-N 3.1Å; L334-L343 HydrophobicContact CB-CD1 3.61Å
335	T	96.4	Very high	96.4	Very high	56 Å²	56	48.8 Å²	48.8	34%	0.344	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-41.5	177.4	-64.1	0	0	0	0	112.2	M331 Y333 T339	M331-T335 WeakPolarHBondContact O-CB 3.38Å; M331-T335 PolarHBondContact O-N 3.21Å; M331-T335 PolarHBondContact O-OG1 2.89Å; Y333-T335 PolarHBondContact O-N 3Å; T335-T339 PolarHBondContact O-N 3.49Å; T335-T339 PolarHBondContact O-OG1 3.47Å
336	E	95.4	Very high	96.4	Very high	93 Å²	93	52 Å²	52	44%	0.435	30%	0.301	S	S	.	.	H	α-helix	trans	-68.3	-47.1	177.5	-167	66.2	-159.3	0	0	111.2	R208 A212 P332 Y333 L334 F338 T339	R208-E336 HydrophobicContact CB-CB 4.41Å; R208-E336 HydrophobicContact CB-CG 4.3Å; A212-E336 HydrophobicContact CB-CB 4.42Å; A212-E336 HydrophobicContact CB-CG 3.77Å; P332-E336 PolarHBondContact O-N 3.43Å; P332-E336 VanDerWaalsContact O-N 3.12Å; Y333-E336 PolarHBondContact O-N 3Å; L334-E336 VanDerWaalsContact C-N 3.35Å; L334-E336 PolarHBondContact O-N 2.86Å; E336-F338 VanDerWaalsContact C-N 3.26Å; E336-F338 PolarHBondContact O-N 3Å; E336-T339 PolarHBondContact O-N 3.24Å
337	V	95.3	Very high	96.4	Very high	10 Å²	10	47.8 Å²	47.8	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-35.2	-179.6	170.4	0	0	0	0	112.3	A212 Y333 L334	A212-V337 HydrophobicContact CB-CG2 4.16Å; Y333-V337 HydrophobicContact CD1-CG2 4.25Å; Y333-V337 HydrophobicContact CE1-CG2 3.81Å; Y333-V337 HydrophobicContact CE2-CG2 4.29Å; Y333-V337 WeakPolarHBondContact O-CG2 3.28Å; Y333-V337 PolarHBondContact O-N 3.49Å; L334-V337 PolarHBondContact O-N 3.29Å
338	F	95.7	Very high	96.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	14	-175.9	-64.5	-60.7	0	0	0	114.7	V222 V224 I236 L334 E336 V341 L343 A528 L531	V222-F338 HydrophobicContact CG1-CE2 3.69Å; V222-F338 HydrophobicContact CG1-CZ 3.74Å; V224-F338 HydrophobicContact CB-CE1 4.32Å; V224-F338 HydrophobicContact CG2-CD1 3.9Å; V224-F338 HydrophobicContact CG2-CE1 3.19Å; V224-F338 HydrophobicContact CG2-CZ 3.62Å; I236-F338 HydrophobicContact CB-CE2 4.32Å; I236-F338 HydrophobicContact CD1-CD2 3.76Å; I236-F338 HydrophobicContact CD1-CE2 3.63Å; I236-F338 HydrophobicContact CD1-CZ 4.46Å; I236-F338 HydrophobicContact CG1-CD2 4.2Å; I236-F338 HydrophobicContact CG1-CE2 3.7Å; I236-F338 HydrophobicContact CG1-CZ 4.05Å; I236-F338 HydrophobicContact CG2-CE2 3.72Å; I236-F338 HydrophobicContact CG2-CZ 4.05Å; L334-F338 HydrophobicContact CB-CD2 4.48Å; L334-F338 HydrophobicContact CD2-CD2 4.44Å; L334-F338 HydrophobicContact CD2-CE2 4.02Å; L334-F338 WeakPolarHBondContact O-CB 3.21Å; L334-F338 VanDerWaalsContact O-CD2 3.29Å; L334-F338 WeakPolarHBondContact O-CD2 3.46Å; L334-F338 PolarHBondContact O-N 3.1Å; E336-F338 VanDerWaalsContact C-N 3.26Å; E336-F338 PolarHBondContact O-N 3Å; F338-V341 WeakPolarHBondContact O-CA 3.3Å; F338-V341 VanDerWaalsContact O-CB 3.28Å; F338-V341 WeakPolarHBondContact O-CB 3.47Å; F338-V341 PolarHBondContact O-N 3.25Å; F338-L343 HydrophobicContact CB-CD1 4.17Å; F338-L343 HydrophobicContact CD2-CD1 3.97Å; F338-A528 HydrophobicContact CB-CB 4.44Å; F338-A528 HydrophobicContact CD1-CB 4.02Å; F338-L531 HydrophobicContact CG-CD2 4.49Å
339	T	91.8	Very high	96.5	Very high	70 Å²	70	48.2 Å²	48.2	43%	0.429	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	134.7	174.5	-83.4	0	0	0	0	111	T335 E336	T335-T339 PolarHBondContact O-N 3.49Å; T335-T339 PolarHBondContact O-OG1 3.47Å; E336-T339 PolarHBondContact O-N 3.24Å
340	P	92.3	Very high	96.6	Very high	105 Å²	105	44.8 Å²	44.8	68%	0.682	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95.3	16.1	9.8	38.8	-37.1	0	0	0	115.4	T342	P340-T342 PolarHBondContact O-N 3.3Å
341	V	94.8	Very high	96.6	Very high	24 Å²	24	44.4 Å²	44.4	15%	0.145	26%	0.257	C	S	.	.	S	Bend	trans	-69.5	125.4	-179.1	-174.4	0	0	0	0	110.2	F338 L343 A528 L531 R532	F338-V341 WeakPolarHBondContact O-CA 3.3Å; F338-V341 VanDerWaalsContact O-CB 3.28Å; F338-V341 WeakPolarHBondContact O-CB 3.47Å; F338-V341 PolarHBondContact O-N 3.25Å; V341-L343 HydrophobicContact CG1-CD2 4.12Å; V341-L343 PolarHBondContact O-N 3.24Å; V341-A528 WeakPolarHBondContact CG2-O 3.01Å; V341-L531 HydrophobicContact CG1-CD2 4.09Å; V341-R532 HydrophobicContact CG1-CG 3.93Å
342	T	94.1	Very high	96.6	Very high	123 Å²	123	43.6 Å²	43.6	76%	0.755	25%	0.252	S	S	*	.			trans	-74.6	126.4	174.3	-48.2	0	0	0	0	110.4	P340 R532	P340-T342 PolarHBondContact O-N 3.3Å; T342-R532 PolarHBondContact O-NH2 3.26Å
343	L	96.9	Very high	96.5	Very high	16 Å²	16	41.3 Å²	41.3	8%	0.084	24%	0.237	C	C	.	.			trans	-113.7	156.1	176.9	-54.3	-176.8	0	0	0	110.2	I236 M331 L334 F338 V341 E347 L531	I236-L343 HydrophobicContact CD1-CD1 3.96Å; I236-L343 HydrophobicContact CD1-CD2 4.25Å; M331-L343 HydrophobicContact CE-CB 4.17Å; L334-L343 HydrophobicContact CB-CD1 3.61Å; F338-L343 HydrophobicContact CB-CD1 4.17Å; F338-L343 HydrophobicContact CD2-CD1 3.97Å; V341-L343 HydrophobicContact CG1-CD2 4.12Å; V341-L343 PolarHBondContact O-N 3.24Å; L343-E347 HydrophobicContact CD2-CG 4.22Å; L343-L531 HydrophobicContact CD2-CD2 3.69Å
344	N	96.4	Very high	96.5	Very high	88 Å²	88	43.8 Å²	43.8	47%	0.471	25%	0.248	S	C	.	.			trans	-134.2	171.4	172.9	66.9	65.7	0	0	0	110.6	M331 S346 E347	M331-N344 VanDerWaalsContact CE-C 3.49Å; N344-S346 PolarHBondContact O-N 2.96Å; N344-S346 VanDerWaalsContact O-N 3.14Å; N344-S346 WeakPolarHBondContact OD1-CA 3.46Å; N344-S346 WeakPolarHBondContact OD1-CB 3.4Å; N344-S346 PolarHBondContact OD1-N 3.42Å; N344-E347 WeakPolarHBondContact O-CB 3.34Å; N344-E347 PolarHBondContact O-N 3.33Å; N344-E347 PolarHBondContact OD1-N 3.48Å
345	E	97.4	Very high	96.5	Very high	121 Å²	121	49.1 Å²	49.1	57%	0.565	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22	-177.2	-79	-171.3	-175.1	0	0	115	K319 M331 E347	K319-E345 HydrophobicContact CB-CB 3.97Å; K319-E345 HydrophobicContact CB-CG 4.31Å; K319-E345 WeakPolarHBondContact CB-O 3.41Å; K319-E345 PolarHBondContact N-O 3.16Å; M331-E345 HydrophobicContact CG-CG 4.19Å; M331-E345 HydrophobicContact SD-CG 4.43Å; E345-E347 VanDerWaalsContact C-N 3.33Å
346	S	98	Very high	96.5	Very high	72 Å²	72	46.6 Å²	46.6	50%	0.503	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	4.5	178	-54	0	0	0	0	113.1	N344	N344-S346 PolarHBondContact O-N 2.96Å; N344-S346 VanDerWaalsContact O-N 3.14Å; N344-S346 WeakPolarHBondContact OD1-CA 3.46Å; N344-S346 WeakPolarHBondContact OD1-CB 3.4Å; N344-S346 PolarHBondContact OD1-N 3.42Å
347	E	98.3	Very high	96.7	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.037	24%	0.237	C	C	.	.			trans	-55.4	128.5	179.1	-173	66.5	-149.1	0	0	111	I236 Q317 A318 L343 N344 E345 R532	I236-E347 HydrophobicContact CD1-CG 3.78Å; Q317-E347 CarbonylContact C-O 3.51Å; Q317-E347 WeakPolarHBondContact CA-O 3.31Å; A318-E347 HydrophobicContact CB-CB 3.95Å; A318-E347 PolarHBondContact N-O 2.77Å; L343-E347 HydrophobicContact CD2-CG 4.22Å; N344-E347 WeakPolarHBondContact O-CB 3.34Å; N344-E347 PolarHBondContact O-N 3.33Å; N344-E347 PolarHBondContact OD1-N 3.48Å; E345-E347 VanDerWaalsContact C-N 3.33Å; E347-R532 VanDerWaalsContact CD-NH2 3.26Å; E347-R532 IonicContact OE1-CZ 3.56Å; E347-R532 IonicContact OE1-NH1 3.61Å; E347-R532 PolarHBondContact OE1-NH1 3.46Å; E347-R532 IonicContact OE1-NH2 2.69Å; E347-R532 PolarHBondContact OE1-NH2 3Å; E347-R532 IonicContact OE2-CZ 2.6Å; E347-R532 IonicContact OE2-NH1 3.21Å; E347-R532 IonicContact OE2-NH2 3.38Å; E347-R532 PolarHBondContact OE2-NH2 3.33Å
348	P	98.4	Very high	96.8	Very high	54 Å²	54	45.6 Å²	45.6	35%	0.351	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	132.9	177	28.8	-34.3	0	0	0	111.1	V235 K315	V235-P348 HydrophobicContact CG2-CB 4.13Å; V235-P348 HydrophobicContact CG2-CG 4.28Å; V235-P348 VanDerWaalsContact CG2-O 3.3Å; V235-P348 WeakPolarHBondContact CG2-O 3.41Å; K315-P348 HydrophobicContact CD-CB 4.35Å; K315-P348 HydrophobicContact CG-CB 4.47Å
349	V	98.7	Very high	97	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.3	177	-177.5	0	0	0	0	109	I236 V238 K315 V316 A318 L321 V351	I236-V349 HydrophobicContact CB-CG2 4.22Å; I236-V349 HydrophobicContact CG2-CG1 4.14Å; I236-V349 HydrophobicContact CG2-CG2 4.27Å; I236-V349 CarbonylContact O-C 3.58Å; I236-V349 WeakPolarHBondContact O-CA 3.44Å; V238-V349 HydrophobicContact CB-CG1 4.45Å; V238-V349 HydrophobicContact CG2-CG1 3.59Å; K315-V349 CarbonylContact C-O 3.56Å; K315-V349 WeakPolarHBondContact CA-O 3.32Å; V316-V349 HydrophobicContact CG2-CB 4.32Å; V316-V349 PolarHBondContact N-O 3.15Å; V316-V349 PolarHBondContact O-N 3.24Å; A318-V349 HydrophobicContact CB-CG2 4.13Å; L321-V349 HydrophobicContact CD1-CB 4.47Å; L321-V349 HydrophobicContact CD1-CG1 4.22Å; L321-V349 HydrophobicContact CD1-CG2 4.18Å; L321-V349 HydrophobicContact CD2-CG1 4.24Å; V349-V351 HydrophobicContact CG1-CG2 4.26Å
350	V	98.8	Very high	97.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.2	169.8	177.8	0	0	0	0	108.7	V235 I236 Q237 V238 Y313 H314 Y352	V235-V350 HydrophobicContact CG1-CB 4.47Å; V235-V350 HydrophobicContact CG1-CG2 3.72Å; V235-V350 HydrophobicContact CG2-CG2 4.1Å; I236-V350 PolarHBondContact O-N 2.74Å; Q237-V350 CarbonylContact C-O 3.52Å; Q237-V350 WeakPolarHBondContact CA-O 3.46Å; Q237-V350 HydrophobicContact CG-CB 4.29Å; V238-V350 PolarHBondContact N-O 3.4Å; Y313-V350 HydrophobicContact CD2-CG1 3.76Å; Y313-V350 HydrophobicContact CD2-CG2 4.42Å; Y313-V350 HydrophobicContact CE2-CB 4.44Å; Y313-V350 HydrophobicContact CE2-CG1 3.84Å; Y313-V350 HydrophobicContact CE2-CG2 3.65Å; Y313-V350 HydrophobicContact CG-CG1 4.36Å; H314-V350 CarbonylContact O-C 3.5Å; H314-V350 WeakPolarHBondContact O-CA 3.15Å; V350-Y352 HydrophobicContact CG1-CD1 4.3Å; V350-Y352 HydrophobicContact CG1-CE1 3.87Å; V350-Y352 HydrophobicContact CG1-CE2 4.27Å
351	V	98.6	Very high	97.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.3	178.4	178.3	0	0	0	0	108.3	V238 H314 V316 L321 L324 V349 K354 L357	V238-V351 HydrophobicContact CB-CG2 4.42Å; V238-V351 WeakPolarHBondContact O-CA 3.45Å; H314-V351 WeakPolarHBondContact CB-O 3.45Å; H314-V351 PolarHBondContact CD2-O 3Å; H314-V351 PolarHBondContact N-O 3.2Å; H314-V351 PolarHBondContact O-N 2.93Å; V316-V351 HydrophobicContact CG2-CG2 3.85Å; L321-V351 HydrophobicContact CD2-CG2 3.7Å; L324-V351 HydrophobicContact CD1-CG1 4.37Å; L324-V351 HydrophobicContact CD1-CG2 4.35Å; V349-V351 HydrophobicContact CG1-CG2 4.26Å; V351-K354 HydrophobicContact CB-CG 4.41Å; V351-K354 HydrophobicContact CG1-CG 3.82Å; V351-L357 HydrophobicContact CG1-CD1 3.59Å
352	Y	98.3	Very high	97.8	Very high	20 Å²	20	46.8 Å²	46.8	8%	0.078	24%	0.241	C	C	.	.	S	Bend	trans	-90.3	-14.4	-178.8	-64.3	-69.8	0	0	0	114.3	F223 Q237 V238 D239 E309 I312 V350	F223-Y352 HydrophobicContact CZ-CE2 4.27Å; Q237-Y352 HydrophobicContact CB-CE2 3.99Å; Q237-Y352 VanDerWaalsContact CD-OH 3.22Å; Q237-Y352 HydrophobicContact CG-CE2 4.32Å; Q237-Y352 PolarHBondContact NE2-OH 3.37Å; Q237-Y352 VanDerWaalsContact OE1-CE2 3.32Å; Q237-Y352 PolarHBondContact OE1-OH 3.05Å; V238-Y352 PolarHBondContact O-N 3.28Å; V238-Y352 VanDerWaalsContact O-N 3.09Å; D239-Y352 HydrophobicContact CB-CD2 4.03Å; D239-Y352 WeakPolarHBondContact OD1-CB 3.35Å; E309-Y352 WeakPolarHBondContact OE1-CE1 3.03Å; I312-Y352 HydrophobicContact CD1-CD1 4.07Å; I312-Y352 HydrophobicContact CG1-CD1 4.06Å; I312-Y352 WeakPolarHBondContact O-CA 3.35Å; V350-Y352 HydrophobicContact CG1-CD1 4.3Å; V350-Y352 HydrophobicContact CG1-CE1 3.87Å; V350-Y352 HydrophobicContact CG1-CE2 4.27Å
353	A	96.2	Very high	98	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.025	21%	0.211	C	C	.	.			trans	-143.7	73.9	-174	0	0	0	0	0	111	Q240 Y356 L357	Q240-A353 HydrophobicContact CB-CB 4.45Å; A353-Y356 HydrophobicContact CB-CD1 4.44Å; A353-Y356 HydrophobicContact CB-CG 4.23Å; A353-Y356 WeakPolarHBondContact O-CB 3.36Å; A353-Y356 PolarHBondContact O-N 3.15Å; A353-L357 WeakPolarHBondContact O-CG 3.46Å; A353-L357 PolarHBondContact O-N 3.24Å; A353-L357 VanDerWaalsContact O-N 3.07Å
354	K	96.8	Very high	98.1	Very high	56 Å²	56	41.6 Å²	41.6	24%	0.243	21%	0.209	C	C	.	.	H	α-helix	trans	-62.6	-50.8	-175.9	-78	177.5	169.4	165.6	0	112.7	H314 L324 V351 Y356 L357 Q358	H314-K354 HydrophobicContact CB-CD 4.15Å; H314-K354 VanDerWaalsContact CG-CE 3.48Å; L324-K354 HydrophobicContact CD1-CG 4.17Å; L324-K354 HydrophobicContact CD2-CB 4.34Å; L324-K354 HydrophobicContact CD2-CG 4.3Å; V351-K354 HydrophobicContact CB-CG 4.41Å; V351-K354 HydrophobicContact CG1-CG 3.82Å; K354-Y356 VanDerWaalsContact C-N 3.25Å; K354-Y356 PolarHBondContact O-N 3.22Å; K354-L357 PolarHBondContact O-N 2.69Å; K354-L357 VanDerWaalsContact O-N 3.16Å; K354-Q358 PolarHBondContact O-N 3.17Å; K354-Q358 VanDerWaalsContact O-N 3.09Å
355	E	97.2	Very high	98.1	Very high	113 Å²	113	41.1 Å²	41.1	53%	0.528	21%	0.212	S	C	.	.	H	α-helix	trans	-65.1	-33.5	-179.1	-65.9	73.4	-163.6	0	0	111.1	K359	E355-K359 WeakPolarHBondContact O-CB 3.12Å; E355-K359 WeakPolarHBondContact O-CG 3.05Å; E355-K359 PolarHBondContact O-N 3.27Å
356	Y	98.4	Very high	98.1	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-60.2	-51.8	171.6	172.4	-88.3	0	0	0	110.6	F219 Q240 L296 I299 A353 K354 Q358 K359 V360	F219-Y356 WeakPolarHBondContact O-CE1 3.49Å; F219-Y356 PolarHBondContact O-OH 2.87Å; Q240-Y356 VanDerWaalsContact CA-CE1 3.46Å; Q240-Y356 HydrophobicContact CB-CD1 3.79Å; Q240-Y356 HydrophobicContact CB-CD2 3.81Å; Q240-Y356 HydrophobicContact CB-CE1 3.7Å; Q240-Y356 HydrophobicContact CB-CE2 3.71Å; Q240-Y356 HydrophobicContact CB-CG 3.87Å; L296-Y356 HydrophobicContact CD1-CE2 4.22Å; L296-Y356 WeakPolarHBondContact CD1-OH 3.4Å; I299-Y356 HydrophobicContact CB-CD2 4.46Å; I299-Y356 HydrophobicContact CG2-CD2 3.64Å; I299-Y356 HydrophobicContact CG2-CE2 4.11Å; I299-Y356 HydrophobicContact CG2-CG 4.28Å; A353-Y356 HydrophobicContact CB-CD1 4.44Å; A353-Y356 HydrophobicContact CB-CG 4.23Å; A353-Y356 WeakPolarHBondContact O-CB 3.36Å; A353-Y356 PolarHBondContact O-N 3.15Å; K354-Y356 VanDerWaalsContact C-N 3.25Å; K354-Y356 PolarHBondContact O-N 3.22Å; Y356-Q358 VanDerWaalsContact C-N 3.3Å; Y356-Q358 PolarHBondContact O-N 3.36Å; Y356-K359 PolarHBondContact O-N 2.96Å; Y356-V360 HydrophobicContact CD1-CG2 4Å; Y356-V360 HydrophobicContact CD2-CG2 4.25Å; Y356-V360 HydrophobicContact CE1-CB 4.42Å; Y356-V360 HydrophobicContact CE1-CG2 3.56Å; Y356-V360 HydrophobicContact CE2-CG2 3.85Å; Y356-V360 HydrophobicContact CG-CG2 4.3Å; Y356-V360 VanDerWaalsContact CZ-CG2 3.5Å; Y356-V360 WeakPolarHBondContact O-CB 3.29Å; Y356-V360 WeakPolarHBondContact O-CG2 3.31Å; Y356-V360 PolarHBondContact O-N 3.2Å
357	L	98.4	Very high	98.2	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-39.4	-179.5	-70.9	-179.6	0	0	0	112.4	F220 V238 V351 A353 K354 V360 S361	F220-L357 HydrophobicContact CB-CD2 3.8Å; F220-L357 HydrophobicContact CD1-CD2 4.32Å; F220-L357 HydrophobicContact CG-CD2 4.16Å; V238-L357 HydrophobicContact CG1-CD1 3.75Å; V238-L357 HydrophobicContact CG1-CD2 4.01Å; V238-L357 HydrophobicContact CG1-CG 4.46Å; V351-L357 HydrophobicContact CG1-CD1 3.59Å; A353-L357 WeakPolarHBondContact O-CG 3.46Å; A353-L357 PolarHBondContact O-N 3.24Å; A353-L357 VanDerWaalsContact O-N 3.07Å; K354-L357 PolarHBondContact O-N 2.69Å; K354-L357 VanDerWaalsContact O-N 3.16Å; L357-V360 PolarHBondContact O-N 3.21Å; L357-S361 WeakPolarHBondContact O-CB 3.33Å; L357-S361 PolarHBondContact O-N 3.34Å
358	Q	98.4	Very high	98.1	Very high	81 Å²	81	45.1 Å²	45.1	38%	0.379	23%	0.226	S	C	.	.	H	α-helix	trans	-60.6	-52.3	175	-71.3	172.3	-26.9	0	0	111.8	L324 K354 Y356 V360 S361 E362	L324-Q358 HydrophobicContact CD2-CG 4.32Å; L324-Q358 VanDerWaalsContact O-CA 3.23Å; L324-Q358 WeakPolarHBondContact O-CA 3.49Å; L324-Q358 VanDerWaalsContact O-CG 3.27Å; L324-Q358 WeakPolarHBondContact O-CG 3.35Å; K354-Q358 PolarHBondContact O-N 3.17Å; K354-Q358 VanDerWaalsContact O-N 3.09Å; Y356-Q358 VanDerWaalsContact C-N 3.3Å; Y356-Q358 PolarHBondContact O-N 3.36Å; Q358-V360 VanDerWaalsContact C-N 3.33Å; Q358-V360 PolarHBondContact O-N 3.17Å; Q358-S361 WeakPolarHBondContact O-CB 3.16Å; Q358-S361 PolarHBondContact O-N 2.96Å; Q358-E362 PolarHBondContact O-N 3.22Å
359	K	98.6	Very high	98	Very high	110 Å²	110	46.8 Å²	46.8	48%	0.478	23%	0.228	S	C	.	.	H	α-helix	trans	-64.4	-36.5	179.3	-72.4	173.7	-179.2	175.8	0	112.5	I299 E355 Y356 E362 L363	I299-K359 HydrophobicContact CB-CB 4.4Å; I299-K359 HydrophobicContact CD1-CB 4.07Å; I299-K359 HydrophobicContact CG1-CB 4.07Å; I299-K359 HydrophobicContact CG1-CD 4.44Å; I299-K359 HydrophobicContact CG2-CB 3.43Å; I299-K359 VanDerWaalsContact CG2-CB 3.43Å; I299-K359 HydrophobicContact CG2-CD 3.92Å; I299-K359 HydrophobicContact CG2-CG 4.34Å; E355-K359 WeakPolarHBondContact O-CB 3.12Å; E355-K359 WeakPolarHBondContact O-CG 3.05Å; E355-K359 PolarHBondContact O-N 3.27Å; Y356-K359 PolarHBondContact O-N 2.96Å; K359-E362 PolarHBondContact O-N 3.17Å; K359-L363 WeakPolarHBondContact O-CB 3.35Å; K359-L363 PolarHBondContact O-N 3.29Å
360	V	98.4	Very high	98	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-66.6	-41.1	174.1	167.3	0	0	0	0	111.2	F219 L296 I299 Y356 L357 Q358 E362 L363 I364	F219-V360 HydrophobicContact CB-CG1 3.86Å; L296-V360 HydrophobicContact CD1-CG2 3.5Å; I299-V360 HydrophobicContact CG2-CG2 4.11Å; Y356-V360 HydrophobicContact CD1-CG2 4Å; Y356-V360 HydrophobicContact CD2-CG2 4.25Å; Y356-V360 HydrophobicContact CE1-CB 4.42Å; Y356-V360 HydrophobicContact CE1-CG2 3.56Å; Y356-V360 HydrophobicContact CE2-CG2 3.85Å; Y356-V360 HydrophobicContact CG-CG2 4.3Å; Y356-V360 VanDerWaalsContact CZ-CG2 3.5Å; Y356-V360 WeakPolarHBondContact O-CB 3.29Å; Y356-V360 WeakPolarHBondContact O-CG2 3.31Å; Y356-V360 PolarHBondContact O-N 3.2Å; L357-V360 PolarHBondContact O-N 3.21Å; Q358-V360 VanDerWaalsContact C-N 3.33Å; Q358-V360 PolarHBondContact O-N 3.17Å; V360-E362 VanDerWaalsContact C-N 3.31Å; V360-E362 PolarHBondContact O-N 3.1Å; V360-L363 PolarHBondContact O-N 3.42Å; V360-I364 HydrophobicContact CG1-CD1 3.73Å; V360-I364 HydrophobicContact CG1-CG1 4.31Å; V360-I364 VanDerWaalsContact O-CG1 3.27Å; V360-I364 WeakPolarHBondContact O-CG1 3.37Å; V360-I364 PolarHBondContact O-N 2.85Å
361	S	98.5	Very high	98	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.049	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-44	174.7	-176.6	0	0	0	0	111.6	A325 P326 V327 L357 Q358 S365	A325-S361 WeakPolarHBondContact CA-OG 3.41Å; P326-S361 VanDerWaalsContact CD-OG 3.32Å; P326-S361 WeakPolarHBondContact CD-OG 3.18Å; V327-S361 VanDerWaalsContact CG1-OG 3.3Å; V327-S361 WeakPolarHBondContact CG1-OG 3.21Å; V327-S361 PolarHBondContact N-OG 2.89Å; L357-S361 WeakPolarHBondContact O-CB 3.33Å; L357-S361 PolarHBondContact O-N 3.34Å; Q358-S361 WeakPolarHBondContact O-CB 3.16Å; Q358-S361 PolarHBondContact O-N 2.96Å; S361-S365 WeakPolarHBondContact O-CB 3.42Å; S361-S365 PolarHBondContact O-N 3.39Å
362	E	98.4	Very high	98	Very high	104 Å²	104	49.8 Å²	49.8	49%	0.486	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-45.7	173.8	-71.9	-172.9	-148.6	0	0	112.2	Q358 K359 V360 I364 S365 K366	Q358-E362 PolarHBondContact O-N 3.22Å; K359-E362 PolarHBondContact O-N 3.17Å; V360-E362 VanDerWaalsContact C-N 3.31Å; V360-E362 PolarHBondContact O-N 3.1Å; E362-I364 PolarHBondContact O-N 3.39Å; E362-S365 PolarHBondContact O-N 2.04Å; E362-S365 PolarHBondContact O-OG 2.96Å; E362-K366 WeakPolarHBondContact O-CG 3.48Å; E362-K366 PolarHBondContact O-N 2.94Å; E362-K366 VanDerWaalsContact O-N 3.12Å; E362-K366 IonicContact OE2-NZ 3.09Å; E362-K366 PolarHBondContact OE2-NZ 3.15Å; E362-K366 VanDerWaalsContact OE2-NZ 3.09Å
363	L	98.6	Very high	98	Very high	24 Å²	24	48.9 Å²	48.9	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-58.7	-47.5	179.1	177.5	59.9	0	0	0	110.9	F292 T295 L296 I299 K359 V360 S365 K366 T367	F292-L363 HydrophobicContact CD2-CD1 4.4Å; F292-L363 HydrophobicContact CD2-CD2 4.45Å; F292-L363 HydrophobicContact CD2-CG 4.45Å; F292-L363 HydrophobicContact CE2-CD1 4.04Å; F292-L363 HydrophobicContact CE2-CD2 3.82Å; F292-L363 HydrophobicContact CE2-CG 3.68Å; F292-L363 HydrophobicContact CZ-CD2 3.91Å; F292-L363 HydrophobicContact CZ-CG 4.12Å; T295-L363 HydrophobicContact CG2-CD1 3.78Å; T295-L363 HydrophobicContact CG2-CD2 4.08Å; L296-L363 HydrophobicContact CD1-CD2 4.41Å; I299-L363 HydrophobicContact CD1-CB 4.24Å; I299-L363 HydrophobicContact CD1-CD2 3.87Å; K359-L363 WeakPolarHBondContact O-CB 3.35Å; K359-L363 PolarHBondContact O-N 3.29Å; V360-L363 PolarHBondContact O-N 3.42Å; L363-S365 PolarHBondContact O-N 3.42Å; L363-K366 PolarHBondContact O-N 3.16Å; L363-T367 WeakPolarHBondContact O-CB 3.47Å; L363-T367 PolarHBondContact O-N 3.46Å; L363-T367 VanDerWaalsContact O-N 3.16Å; L363-T367 PolarHBondContact O-OG1 3.48Å
364	I	98.6	Very high	98.1	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-47.2	176.8	-66.7	165.2	0	0	0	110.2	F203 F219 V327 I328 V360 E362 K366 T367 L372	F203-I364 HydrophobicContact CE1-CG2 4.03Å; F203-I364 HydrophobicContact CE2-CG2 3.96Å; F203-I364 HydrophobicContact CZ-CD1 4.22Å; F203-I364 HydrophobicContact CZ-CG2 3.54Å; F219-I364 HydrophobicContact CB-CD1 4.16Å; F219-I364 HydrophobicContact CD1-CD1 4.13Å; F219-I364 HydrophobicContact CD1-CG1 4.17Å; F219-I364 HydrophobicContact CD2-CD1 3.98Å; F219-I364 HydrophobicContact CE1-CG1 4.27Å; F219-I364 HydrophobicContact CE2-CD1 4.44Å; F219-I364 HydrophobicContact CG-CD1 3.82Å; F219-I364 HydrophobicContact CG-CG1 4.36Å; V327-I364 HydrophobicContact CB-CG2 4.43Å; V327-I364 HydrophobicContact CG1-CB 3.95Å; V327-I364 HydrophobicContact CG1-CD1 4.12Å; V327-I364 HydrophobicContact CG1-CG2 3.88Å; V327-I364 HydrophobicContact CG2-CB 4.36Å; V327-I364 HydrophobicContact CG2-CG2 3.67Å; I328-I364 HydrophobicContact CD1-CD1 4.12Å; V360-I364 HydrophobicContact CG1-CD1 3.73Å; V360-I364 HydrophobicContact CG1-CG1 4.31Å; V360-I364 VanDerWaalsContact O-CG1 3.27Å; V360-I364 WeakPolarHBondContact O-CG1 3.37Å; V360-I364 PolarHBondContact O-N 2.85Å; E362-I364 PolarHBondContact O-N 3.39Å; I364-K366 PolarHBondContact O-N 3.08Å; I364-T367 PolarHBondContact O-N 2.94Å; I364-T367 VanDerWaalsContact O-N 3.16Å; I364-L372 HydrophobicContact CB-CD2 4.46Å; I364-L372 HydrophobicContact CG1-CD2 4.27Å; I364-L372 HydrophobicContact CG2-CD1 3.85Å; I364-L372 HydrophobicContact CG2-CD2 4.29Å
365	S	98	Very high	98.2	Very high	77 Å²	77	46.3 Å²	46.3	54%	0.538	23%	0.23	S	C	.	.	H	α-helix	trans	-61.7	-29.1	-177.9	73.5	0	0	0	0	114.3	S361 E362 L363	S361-S365 WeakPolarHBondContact O-CB 3.42Å; S361-S365 PolarHBondContact O-N 3.39Å; E362-S365 PolarHBondContact O-N 2.04Å; E362-S365 PolarHBondContact O-OG 2.96Å; L363-S365 PolarHBondContact O-N 3.42Å
366	K	97.7	Very high	98.2	Very high	153 Å²	153	41 Å²	41	67%	0.665	21%	0.205	S	C	*	.	H	α-helix	trans	-92.8	-9.4	-178.7	-67.1	168.6	-175.1	161.7	0	113	E362 L363 I364	E362-K366 WeakPolarHBondContact O-CG 3.48Å; E362-K366 PolarHBondContact O-N 2.94Å; E362-K366 VanDerWaalsContact O-N 3.12Å; E362-K366 IonicContact OE2-NZ 3.09Å; E362-K366 PolarHBondContact OE2-NZ 3.15Å; E362-K366 VanDerWaalsContact OE2-NZ 3.09Å; L363-K366 PolarHBondContact O-N 3.16Å; I364-K366 PolarHBondContact O-N 3.08Å
367	T	98.3	Very high	98.2	Very high	25 Å²	25	40.9 Å²	40.9	15%	0.153	20%	0.204	C	C	.	.	S	Bend	trans	-94	141.2	-174.4	-60	0	0	0	0	111	F292 L363 I364 K369 L371 L372	F292-T367 HydrophobicContact CD2-CG2 3.9Å; F292-T367 HydrophobicContact CE2-CG2 3.85Å; L363-T367 WeakPolarHBondContact O-CB 3.47Å; L363-T367 PolarHBondContact O-N 3.46Å; L363-T367 VanDerWaalsContact O-N 3.16Å; L363-T367 PolarHBondContact O-OG1 3.48Å; I364-T367 PolarHBondContact O-N 2.94Å; I364-T367 VanDerWaalsContact O-N 3.16Å; T367-K369 PolarHBondContact O-N 3.23Å; T367-L371 HydrophobicContact CG2-CB 4.04Å; T367-L371 HydrophobicContact CG2-CD2 3.84Å; T367-L371 HydrophobicContact CG2-CG 3.99Å; T367-L372 HydrophobicContact CG2-CD2 3.87Å; T367-L372 HydrophobicContact CG2-CG 3.85Å
368	N	96.9	Very high	98.2	Very high	108 Å²	108	40.9 Å²	40.9	58%	0.578	21%	0.205	S	C	*	.			trans	-59.3	136.9	175.5	179.7	-71.6	0	0	0	111.1	S370 L371 L372	N368-S370 VanDerWaalsContact C-N 3.26Å; N368-S370 PolarHBondContact O-N 3.36Å; N368-S370 WeakPolarHBondContact OD1-CA 3.3Å; N368-S370 WeakPolarHBondContact OD1-CB 3.42Å; N368-S370 PolarHBondContact OD1-N 2.87Å; N368-L371 PolarHBondContact O-N 3.34Å; N368-L371 VanDerWaalsContact O-N 3.09Å; N368-L372 PolarHBondContact O-N 3.05Å; N368-L372 VanDerWaalsContact O-N 3.09Å
369	K	97	Very high	98.1	Very high	89 Å²	89	38.2 Å²	38.2	39%	0.387	19%	0.192	S	C	.	.	H	α-helix	trans	-57.1	-36.9	-177	-60	-176.4	-176	-173.6	0	113.3	W198 D201 T367 L372 N373	W198-K369 HydrophobicContact CZ3-CB 4.15Å; W198-K369 WeakPolarHBondContact CZ3-O 3.35Å; D201-K369 IonicContact OD1-NZ 2.72Å; D201-K369 PolarHBondContact OD1-NZ 3.46Å; D201-K369 IonicContact OD2-NZ 3.2Å; D201-K369 PolarHBondContact OD2-NZ 3.43Å; T367-K369 PolarHBondContact O-N 3.23Å; K369-L372 PolarHBondContact O-N 3.4Å; K369-N373 PolarHBondContact O-N 3.4Å
370	S	97.8	Very high	98	Very high	21 Å²	21	33 Å²	33	15%	0.147	17%	0.169	C	C	.	.	H	α-helix	trans	-63.8	-44.2	177.2	-166.3	0	0	0	0	111.6	A193 W198 N368 N373 N374	A193-S370 WeakPolarHBondContact CB-OG 3.43Å; W198-S370 VanDerWaalsContact CE3-CA 3.48Å; N368-S370 VanDerWaalsContact C-N 3.26Å; N368-S370 PolarHBondContact O-N 3.36Å; N368-S370 WeakPolarHBondContact OD1-CA 3.3Å; N368-S370 WeakPolarHBondContact OD1-CB 3.42Å; N368-S370 PolarHBondContact OD1-N 2.87Å; S370-N373 PolarHBondContact O-N 3.45Å; S370-N374 WeakPolarHBondContact O-CB 3.13Å; S370-N374 PolarHBondContact O-N 3.4Å; S370-N374 PolarHBondContact O-ND2 2.96Å; S370-N374 VanDerWaalsContact O-ND2 3.12Å; S370-N374 PolarHBondContact O-OD1 2.86Å
371	L	98.4	Very high	98	Very high	35 Å²	35	32.9 Å²	32.9	18%	0.183	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-41.8	175.7	179.1	53.9	0	0	0	111.8	D288 I289 F292 T367 N368 N373 N374 Y375	D288-L371 HydrophobicContact CB-CD1 3.74Å; D288-L371 HydrophobicContact CB-CD2 4.3Å; I289-L371 HydrophobicContact CG1-CD1 4.12Å; F292-L371 HydrophobicContact CB-CD2 4.32Å; T367-L371 HydrophobicContact CG2-CB 4.04Å; T367-L371 HydrophobicContact CG2-CD2 3.84Å; T367-L371 HydrophobicContact CG2-CG 3.99Å; N368-L371 PolarHBondContact O-N 3.34Å; N368-L371 VanDerWaalsContact O-N 3.09Å; L371-N373 VanDerWaalsContact C-N 3.35Å; L371-N373 PolarHBondContact O-N 3.47Å; L371-N374 PolarHBondContact O-N 3.11Å; L371-Y375 WeakPolarHBondContact O-CB 3.26Å; L371-Y375 PolarHBondContact O-N 3.01Å
372	L	98.5	Very high	97.9	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-59.7	-44.9	175.3	-68.3	172.2	0	0	0	111.9	F203 F219 F292 I364 T367 N368 K369 Y375 M376	F203-L372 HydrophobicContact CD2-CB 4.02Å; F203-L372 HydrophobicContact CD2-CD1 3.96Å; F203-L372 HydrophobicContact CE2-CB 4.11Å; F203-L372 HydrophobicContact CE2-CD1 3.99Å; F203-L372 HydrophobicContact CE2-CD2 4.44Å; F203-L372 HydrophobicContact CE2-CG 4.42Å; F219-L372 HydrophobicContact CE1-CD2 3.98Å; F219-L372 HydrophobicContact CZ-CD2 3.86Å; F292-L372 HydrophobicContact CE2-CD2 4.04Å; F292-L372 HydrophobicContact CZ-CD2 3.99Å; I364-L372 HydrophobicContact CB-CD2 4.46Å; I364-L372 HydrophobicContact CG1-CD2 4.27Å; I364-L372 HydrophobicContact CG2-CD1 3.85Å; I364-L372 HydrophobicContact CG2-CD2 4.29Å; T367-L372 HydrophobicContact CG2-CD2 3.87Å; T367-L372 HydrophobicContact CG2-CG 3.85Å; N368-L372 PolarHBondContact O-N 3.05Å; N368-L372 VanDerWaalsContact O-N 3.09Å; K369-L372 PolarHBondContact O-N 3.4Å; L372-Y375 PolarHBondContact O-N 2.9Å; L372-M376 WeakPolarHBondContact O-CG 3.44Å; L372-M376 PolarHBondContact O-N 3.27Å
373	N	98.4	Very high	97.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.011	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-46.6	176.3	-179.4	76.2	0	0	0	111.8	G191 W198 K369 S370 L371 Y375 M376 I377	G191-N373 PolarHBondContact O-ND2 3.38Å; W198-N373 HydrophobicContact CD2-CB 4.32Å; W198-N373 VanDerWaalsContact CE2-CG 3.41Å; W198-N373 VanDerWaalsContact CE2-ND2 3.27Å; W198-N373 HydrophobicContact CE3-CB 4.29Å; W198-N373 HydrophobicContact CH2-CB 3.36Å; W198-N373 HydrophobicContact CZ2-CB 3.35Å; W198-N373 WeakPolarHBondContact CZ2-OD1 3.39Å; W198-N373 HydrophobicContact CZ3-CB 3.86Å; W198-N373 PolarHBondContact NE1-ND2 2.99Å; K369-N373 PolarHBondContact O-N 3.4Å; S370-N373 PolarHBondContact O-N 3.45Å; L371-N373 VanDerWaalsContact C-N 3.35Å; L371-N373 PolarHBondContact O-N 3.47Å; N373-Y375 VanDerWaalsContact C-N 3.27Å; N373-Y375 PolarHBondContact O-N 2.6Å; N373-M376 PolarHBondContact O-N 3.2Å; N373-M376 VanDerWaalsContact O-N 3.16Å; N373-I377 WeakPolarHBondContact O-CG1 3.42Å; N373-I377 PolarHBondContact O-N 3.1Å
374	N	98.4	Very high	97.6	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-59	-39.8	178.2	-64.6	-24.1	0	0	0	111.5	W192 A193 I289 S370 L371 M378	W192-N374 WeakPolarHBondContact CB-OD1 3.45Å; A193-N374 WeakPolarHBondContact CB-ND2 3.41Å; A193-N374 PolarHBondContact N-OD1 2.98Å; I289-N374 HydrophobicContact CD1-CB 4.12Å; S370-N374 WeakPolarHBondContact O-CB 3.13Å; S370-N374 PolarHBondContact O-N 3.4Å; S370-N374 PolarHBondContact O-ND2 2.96Å; S370-N374 VanDerWaalsContact O-ND2 3.12Å; S370-N374 PolarHBondContact O-OD1 2.86Å; L371-N374 PolarHBondContact O-N 3.11Å; N374-M378 VanDerWaalsContact O-CB 3.25Å; N374-M378 WeakPolarHBondContact O-CB 3.27Å; N374-M378 PolarHBondContact O-N 3.22Å
375	Y	98.5	Very high	97.4	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-62.7	-49.5	174.1	-179.5	-110.9	0	0	0	112	P218 F219 I289 F292 E293 L371 L372 N373 I377 M378 K379	P218-Y375 HydrophobicContact CB-CD1 4.25Å; P218-Y375 HydrophobicContact CB-CE1 4.03Å; P218-Y375 VanDerWaalsContact O-CE1 3.3Å; P218-Y375 WeakPolarHBondContact O-CE1 3.25Å; P218-Y375 PolarHBondContact O-OH 3.1Å; F219-Y375 HydrophobicContact CD1-CD1 4.19Å; F219-Y375 HydrophobicContact CD1-CE1 4.02Å; F219-Y375 AromaticContact CE1-CD1 3.52Å; F219-Y375 HydrophobicContact CE1-CD1 3.52Å; F219-Y375 AromaticContact CE1-CE1 3.84Å; F219-Y375 HydrophobicContact CE1-CE1 3.84Å; F219-Y375 AromaticContact CZ-CD1 4Å; F219-Y375 HydrophobicContact CZ-CD1 4Å; I289-Y375 HydrophobicContact CG2-CD2 4.1Å; F292-Y375 HydrophobicContact CD1-CD1 4.11Å; F292-Y375 AromaticContact CD1-CD2 3.95Å; F292-Y375 HydrophobicContact CD1-CD2 3.95Å; F292-Y375 HydrophobicContact CD1-CE1 4.36Å; F292-Y375 HydrophobicContact CD1-CE2 4.25Å; F292-Y375 AromaticContact CD1-CG 3.88Å; F292-Y375 HydrophobicContact CD1-CG 3.88Å; F292-Y375 AromaticContact CE1-CD1 3.67Å; F292-Y375 HydrophobicContact CE1-CD1 3.67Å; F292-Y375 HydrophobicContact CE1-CD2 4.34Å; F292-Y375 AromaticContact CE1-CE1 3.86Å; F292-Y375 HydrophobicContact CE1-CE1 3.86Å; F292-Y375 AromaticContact CE1-CG 3.93Å; F292-Y375 HydrophobicContact CE1-CG 3.93Å; E293-Y375 HydrophobicContact CB-CE2 4.14Å; E293-Y375 HydrophobicContact CG-CE2 4.21Å; E293-Y375 PolarHBondContact OE1-OH 2.93Å; E293-Y375 VanDerWaalsContact OE1-OH 3.11Å; L371-Y375 WeakPolarHBondContact O-CB 3.26Å; L371-Y375 PolarHBondContact O-N 3.01Å; L372-Y375 PolarHBondContact O-N 2.9Å; N373-Y375 VanDerWaalsContact C-N 3.27Å; N373-Y375 PolarHBondContact O-N 2.6Å; Y375-I377 PolarHBondContact O-N 3.02Å; Y375-M378 PolarHBondContact O-N 3.2Å; Y375-K379 HydrophobicContact CE1-CG 4.23Å; Y375-K379 HydrophobicContact CE2-CD 4.13Å; Y375-K379 HydrophobicContact CE2-CG 4.25Å; Y375-K379 WeakPolarHBondContact O-CG 3.45Å; Y375-K379 PolarHBondContact O-N 2.95Å
376	M	98.3	Very high	97.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.5	-44.7	177.8	-71.2	-171	-72.8	0	0	112.2	F203 V206 L207 P218 F219 L372 N373 K379 V380	F203-M376 HydrophobicContact CD2-CE 3.64Å; F203-M376 HydrophobicContact CD2-SD 4.48Å; F203-M376 HydrophobicContact CE2-CE 3.94Å; F203-M376 HydrophobicContact CE2-SD 4.26Å; V206-M376 HydrophobicContact CB-CE 3.84Å; V206-M376 HydrophobicContact CB-SD 4.43Å; V206-M376 HydrophobicContact CG1-CB 4.13Å; V206-M376 HydrophobicContact CG1-CE 3.55Å; V206-M376 HydrophobicContact CG1-SD 3.91Å; L207-M376 HydrophobicContact CB-SD 3.89Å; L207-M376 HydrophobicContact CD1-SD 4.16Å; P218-M376 HydrophobicContact CB-CG 3.83Å; P218-M376 HydrophobicContact CG-CG 3.9Å; P218-M376 HydrophobicContact CG-SD 4.35Å; F219-M376 HydrophobicContact CE2-CG 3.79Å; F219-M376 HydrophobicContact CE2-SD 3.78Å; F219-M376 HydrophobicContact CZ-CG 3.89Å; F219-M376 HydrophobicContact CZ-SD 4.34Å; L372-M376 WeakPolarHBondContact O-CG 3.44Å; L372-M376 PolarHBondContact O-N 3.27Å; N373-M376 PolarHBondContact O-N 3.2Å; N373-M376 VanDerWaalsContact O-N 3.16Å; M376-K379 PolarHBondContact O-N 3.4Å; M376-V380 PolarHBondContact O-N 3.47Å
377	I	97.9	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.4	-41.6	177	-63.8	-60.3	0	0	0	110.7	I186 I189 W192 N373 Y375 K379 V380 V381	I186-I377 HydrophobicContact CD1-CG2 4.12Å; I186-I377 HydrophobicContact CG1-CG2 3.89Å; I186-I377 HydrophobicContact CG2-CG2 3.95Å; I189-I377 HydrophobicContact CB-CD1 4.08Å; I189-I377 HydrophobicContact CD1-CD1 4.3Å; I189-I377 HydrophobicContact CG2-CD1 3.7Å; W192-I377 HydrophobicContact CB-CB 4.46Å; W192-I377 HydrophobicContact CB-CG1 4.28Å; W192-I377 HydrophobicContact CB-CG2 4.38Å; W192-I377 HydrophobicContact CD2-CB 4.47Å; W192-I377 HydrophobicContact CD2-CG2 3.72Å; W192-I377 HydrophobicContact CE3-CB 3.96Å; W192-I377 HydrophobicContact CE3-CG2 3.45Å; W192-I377 VanDerWaalsContact CE3-CG2 3.45Å; W192-I377 HydrophobicContact CG-CG2 4.19Å; W192-I377 HydrophobicContact CZ3-CG2 3.89Å; N373-I377 WeakPolarHBondContact O-CG1 3.42Å; N373-I377 PolarHBondContact O-N 3.1Å; Y375-I377 PolarHBondContact O-N 3.02Å; I377-K379 VanDerWaalsContact C-N 3.29Å; I377-K379 PolarHBondContact O-N 3.33Å; I377-V380 CarbonylContact O-C 3.49Å; I377-V380 WeakPolarHBondContact O-CA 3.44Å; I377-V380 WeakPolarHBondContact O-CB 3.22Å; I377-V380 PolarHBondContact O-N 3.27Å; I377-V381 HydrophobicContact CG2-CG2 4.24Å; I377-V381 WeakPolarHBondContact O-CG2 3.48Å; I377-V381 PolarHBondContact O-N 3.15Å
378	M	98	Very high	96.8	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.015	11%	0.108	C	C	.	.	H	α-helix	trans	-64.2	-33.6	177.4	-175.2	47.7	74.8	0	0	112.5	W192 L268 L271 M286 I289 N374 Y375 V380 V381 R382	W192-M378 HydrophobicContact CH2-CE 4.03Å; W192-M378 HydrophobicContact CZ3-CE 3.88Å; L268-M378 HydrophobicContact CD2-CG 4.01Å; L268-M378 HydrophobicContact CD2-SD 3.78Å; L271-M378 HydrophobicContact CD1-SD 4.26Å; M286-M378 HydrophobicContact CE-CE 3.35Å; M286-M378 HydrophobicContact SD-CE 3.31Å; M286-M378 WeakPolarHBondContact SD-CE 3.42Å; I289-M378 HydrophobicContact CD1-CB 3.93Å; I289-M378 HydrophobicContact CD1-CG 4.3Å; N374-M378 VanDerWaalsContact O-CB 3.25Å; N374-M378 WeakPolarHBondContact O-CB 3.27Å; N374-M378 PolarHBondContact O-N 3.22Å; Y375-M378 PolarHBondContact O-N 3.2Å; M378-V380 VanDerWaalsContact C-N 3.31Å; M378-V380 PolarHBondContact O-N 3.47Å; M378-V381 PolarHBondContact O-N 3.19Å; M378-V381 HydrophobicContact SD-CB 3.88Å; M378-V381 HydrophobicContact SD-CG1 3.99Å; M378-R382 WeakPolarHBondContact O-CB 3.48Å; M378-R382 WeakPolarHBondContact O-CG 3.5Å; M378-R382 PolarHBondContact O-N 2.92Å; M378-R382 HydrophobicContact SD-CG 4.22Å
379	K	97.4	Very high	96.8	Very high	24 Å²	24	16.6 Å²	16.6	10%	0.104	8%	0.081	C	C	.	.	H	α-helix	trans	-63.5	-37	171.5	-64.6	-70.7	-77.6	-166.9	0	111.8	T216 P218 S242 E293 Y375 M376 I377 K383	T216-K379 HydrophobicContact CG2-CB 3.53Å; P218-K379 HydrophobicContact CB-CG 4.37Å; S242-K379 PolarHBondContact O-NZ 3.31Å; E293-K379 IonicContact OE1-NZ 2.56Å; Y375-K379 HydrophobicContact CE1-CG 4.23Å; Y375-K379 HydrophobicContact CE2-CD 4.13Å; Y375-K379 HydrophobicContact CE2-CG 4.25Å; Y375-K379 WeakPolarHBondContact O-CG 3.45Å; Y375-K379 PolarHBondContact O-N 2.95Å; M376-K379 PolarHBondContact O-N 3.4Å; I377-K379 VanDerWaalsContact C-N 3.29Å; I377-K379 PolarHBondContact O-N 3.33Å; K379-K383 PolarHBondContact O-N 2.93Å
380	V	97	Very high	96.7	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-66.5	-47.9	171.8	175.1	0	0	0	0	110.9	L182 L185 I189 V210 L214 T216 M376 I377 M378 R382 K383 M384	L182-V380 HydrophobicContact CD1-CG1 4.5Å; L185-V380 HydrophobicContact CD2-CG1 4.18Å; I189-V380 HydrophobicContact CD1-CG1 4.37Å; V210-V380 HydrophobicContact CB-CG2 3.98Å; V210-V380 HydrophobicContact CG1-CG2 3.66Å; L214-V380 HydrophobicContact CD1-CB 4.36Å; L214-V380 HydrophobicContact CD1-CG1 3.72Å; L214-V380 HydrophobicContact CD1-CG2 3.63Å; T216-V380 HydrophobicContact CG2-CG2 4.42Å; M376-V380 PolarHBondContact O-N 3.47Å; I377-V380 CarbonylContact O-C 3.49Å; I377-V380 WeakPolarHBondContact O-CA 3.44Å; I377-V380 WeakPolarHBondContact O-CB 3.22Å; I377-V380 PolarHBondContact O-N 3.27Å; M378-V380 VanDerWaalsContact C-N 3.31Å; M378-V380 PolarHBondContact O-N 3.47Å; V380-R382 PolarHBondContact O-N 3.04Å; V380-K383 WeakPolarHBondContact O-CB 3.2Å; V380-K383 PolarHBondContact O-N 2.92Å; V380-K383 VanDerWaalsContact O-N 3.15Å; V380-M384 HydrophobicContact CG1-CG 4.47Å; V380-M384 WeakPolarHBondContact O-CG 3.36Å; V380-M384 PolarHBondContact O-N 2.98Å
381	V	97.7	Very high	96.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-54.5	-54.4	178.3	172.1	0	0	0	0	109.9	L182 I186 W192 L271 L275 I377 M378 K383 M384 V385	L182-V381 HydrophobicContact CD2-CB 4.39Å; L182-V381 HydrophobicContact CD2-CG1 4.14Å; L182-V381 HydrophobicContact CD2-CG2 4.2Å; I186-V381 HydrophobicContact CD1-CG2 3.9Å; W192-V381 HydrophobicContact CH2-CG2 4.05Å; W192-V381 HydrophobicContact CZ3-CG2 4.39Å; L271-V381 HydrophobicContact CB-CG1 4.44Å; L271-V381 HydrophobicContact CD1-CG1 3.91Å; L275-V381 HydrophobicContact CD1-CB 4.42Å; L275-V381 HydrophobicContact CD1-CG1 3.72Å; L275-V381 HydrophobicContact CD1-CG2 3.74Å; I377-V381 HydrophobicContact CG2-CG2 4.24Å; I377-V381 WeakPolarHBondContact O-CG2 3.48Å; I377-V381 PolarHBondContact O-N 3.15Å; M378-V381 PolarHBondContact O-N 3.19Å; M378-V381 HydrophobicContact SD-CB 3.88Å; M378-V381 HydrophobicContact SD-CG1 3.99Å; V381-K383 PolarHBondContact O-N 3.04Å; V381-M384 PolarHBondContact O-N 3.2Å; V381-V385 VanDerWaalsContact O-CG2 3.31Å; V381-V385 WeakPolarHBondContact O-CG2 3.33Å; V381-V385 PolarHBondContact O-N 2.72Å
382	R	96.3	Very high	96.6	Very high	50 Å²	50	18.9 Å²	18.9	19%	0.189	8%	0.084	C	C	.	.	H	α-helix	trans	-51.4	-41	178.4	-79.3	-72.9	-67.7	168.7	-6.4	112.9	G244 F267 L268 M378 V380 M384	G244-R382 PolarHBondContact O-NH2 3Å; F267-R382 VanDerWaalsContact CE1-CD 3.45Å; L268-R382 HydrophobicContact CD2-CG 4.25Å; M378-R382 WeakPolarHBondContact O-CB 3.48Å; M378-R382 WeakPolarHBondContact O-CG 3.5Å; M378-R382 PolarHBondContact O-N 2.92Å; M378-R382 HydrophobicContact SD-CG 4.22Å; V380-R382 PolarHBondContact O-N 3.04Å; R382-M384 VanDerWaalsContact C-N 3.28Å; R382-M384 PolarHBondContact O-N 3.44Å
383	K	94.4	Very high	96.4	Very high	61 Å²	61	20 Å²	20	27%	0.265	9%	0.09	S	C	.	.	H	α-helix	trans	-68.2	-26.9	-180	-172.3	169.5	-174.8	179.6	0	113.2	L214 R215 K379 V380 V381 Y520	L214-K383 PolarHBondContact O-NZ 3.43Å; R215-K383 VanDerWaalsContact C-NZ 3.33Å; R215-K383 PolarHBondContact O-NZ 3.29Å; K379-K383 PolarHBondContact O-N 2.93Å; V380-K383 WeakPolarHBondContact O-CB 3.2Å; V380-K383 PolarHBondContact O-N 2.92Å; V380-K383 VanDerWaalsContact O-N 3.15Å; V381-K383 PolarHBondContact O-N 3.04Å; K383-Y520 HydrophobicContact CD-CE2 4.41Å; K383-Y520 WeakPolarHBondContact CE-OH 3.38Å
384	M	95.6	Very high	96.1	Very high	4 Å²	4	22 Å²	22	2%	0.02	10%	0.101	C	C	.	.	H	α-helix	trans	-102.8	0.3	-174.2	-56.1	-59.6	-79.7	0	0	113.6	L182 V380 V381 R382 S386 V387 L388 F513 V516 M517 Y520	L182-M384 HydrophobicContact CD1-CB 4.25Å; L182-M384 HydrophobicContact CD1-CG 4.33Å; V380-M384 HydrophobicContact CG1-CG 4.47Å; V380-M384 WeakPolarHBondContact O-CG 3.36Å; V380-M384 PolarHBondContact O-N 2.98Å; V381-M384 PolarHBondContact O-N 3.2Å; R382-M384 VanDerWaalsContact C-N 3.28Å; R382-M384 PolarHBondContact O-N 3.44Å; M384-S386 PolarHBondContact O-N 2.76Å; M384-V387 HydrophobicContact CB-CG2 4.23Å; M384-V387 HydrophobicContact CE-CG2 4.1Å; M384-V387 WeakPolarHBondContact O-CG2 3.47Å; M384-V387 PolarHBondContact O-N 3.41Å; M384-L388 WeakPolarHBondContact O-CG 3.3Å; M384-F513 HydrophobicContact CB-CE2 4.15Å; M384-F513 HydrophobicContact CE-CD1 4.35Å; M384-F513 HydrophobicContact CE-CD2 3.93Å; M384-F513 HydrophobicContact CE-CE1 3.88Å; M384-F513 HydrophobicContact CE-CE2 3.4Å; M384-F513 VanDerWaalsContact CE-CE2 3.4Å; M384-F513 HydrophobicContact CE-CG 4.37Å; M384-F513 HydrophobicContact CE-CZ 3.38Å; M384-F513 HydrophobicContact CG-CE2 4.42Å; M384-V516 HydrophobicContact CE-CG1 4.31Å; M384-M517 HydrophobicContact CE-CG 3.78Å; M384-M517 HydrophobicContact CE-SD 3.47Å; M384-M517 WeakPolarHBondContact CE-SD 2.72Å; M384-M517 HydrophobicContact SD-SD 4.32Å; M384-Y520 HydrophobicContact SD-CE2 3.83Å
385	V	94.8	Very high	96	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-58.2	-45.5	-174.4	172	0	0	0	0	112.5	F267 L271 V381 V387 L388 F392 E396	F267-V385 HydrophobicContact CZ-CG1 4.39Å; F267-V385 HydrophobicContact CZ-CG2 4.26Å; L271-V385 HydrophobicContact CD1-CG2 3.91Å; L271-V385 HydrophobicContact CD2-CG1 4.38Å; L271-V385 HydrophobicContact CD2-CG2 3.9Å; V381-V385 VanDerWaalsContact O-CG2 3.31Å; V381-V385 WeakPolarHBondContact O-CG2 3.33Å; V381-V385 PolarHBondContact O-N 2.72Å; V385-V387 PolarHBondContact O-N 2.7Å; V385-V387 VanDerWaalsContact O-N 3.14Å; V385-L388 PolarHBondContact O-N 3.16Å; V385-F392 HydrophobicContact CG1-CB 4.15Å; V385-F392 WeakPolarHBondContact CG1-O 3.07Å; V385-E396 HydrophobicContact CG1-CB 3.79Å; V385-E396 HydrophobicContact CG1-CG 4.48Å
386	S	91.7	Very high	95.8	Very high	37 Å²	37	23.9 Å²	23.9	26%	0.259	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	-68.3	-12.9	-175.4	62.1	0	0	0	0	114.3	M384	M384-S386 PolarHBondContact O-N 2.76Å
387	V	94.3	Very high	95.5	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.024	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-104.4	5.8	-176.1	-51.3	0	0	0	0	113.7	M384 V385 Y512 F513 V516	M384-V387 HydrophobicContact CB-CG2 4.23Å; M384-V387 HydrophobicContact CE-CG2 4.1Å; M384-V387 WeakPolarHBondContact O-CG2 3.47Å; M384-V387 PolarHBondContact O-N 3.41Å; V385-V387 PolarHBondContact O-N 2.7Å; V385-V387 VanDerWaalsContact O-N 3.14Å; V387-Y512 HydrophobicContact CB-CD1 4.07Å; V387-Y512 HydrophobicContact CB-CE1 3.63Å; V387-Y512 HydrophobicContact CG1-CE1 3.7Å; V387-F513 HydrophobicContact CG2-CD2 3.75Å; V387-F513 HydrophobicContact CG2-CE2 4.23Å; V387-V516 HydrophobicContact CB-CG2 4.35Å; V387-V516 HydrophobicContact CG1-CG1 4.28Å; V387-V516 HydrophobicContact CG1-CG2 3.8Å
388	L	96.5	Very high	95.3	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	14%	0.135	C	C	.	.	S	Bend	trans	-101.8	-174.7	177.8	-64.4	172.2	0	0	0	112.2	L182 M384 V385 F392 Q393 F513	L182-L388 HydrophobicContact CB-CD1 4.17Å; L182-L388 HydrophobicContact CB-CD2 4.11Å; L182-L388 HydrophobicContact CD2-CD1 3.61Å; M384-L388 WeakPolarHBondContact O-CG 3.3Å; V385-L388 PolarHBondContact O-N 3.16Å; L388-F392 HydrophobicContact CB-CB 3.91Å; L388-F392 HydrophobicContact CB-CD2 3.82Å; L388-F392 HydrophobicContact CB-CG 3.85Å; L388-F392 HydrophobicContact CD1-CB 4.4Å; L388-F392 HydrophobicContact CD1-CD1 3.63Å; L388-F392 HydrophobicContact CD1-CD2 4.04Å; L388-F392 HydrophobicContact CD1-CE1 3.81Å; L388-F392 HydrophobicContact CD1-CE2 4.2Å; L388-F392 HydrophobicContact CD1-CG 3.76Å; L388-F392 HydrophobicContact CD1-CZ 4.09Å; L388-F392 HydrophobicContact CG-CG 4.48Å; L388-Q393 PolarHBondContact O-NE2 2.92Å; L388-F513 HydrophobicContact CD2-CD2 3.87Å; L388-F513 HydrophobicContact CD2-CE2 3.96Å
389	D	96.6	Very high	95.1	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.011	14%	0.137	C	C	.	.			trans	-61.9	167.5	178.8	74.4	60.2	0	0	0	114.1	G178 R391 F392 Q393	G178-D389 WeakPolarHBondContact CA-OD2 3.41Å; D389-R391 PolarHBondContact O-N 3.44Å; D389-R391 WeakPolarHBondContact OD1-CB 3.4Å; D389-R391 WeakPolarHBondContact OD1-CG 3.45Å; D389-R391 IonicContact OD1-CZ 3.74Å; D389-R391 PolarHBondContact OD1-N 3.01Å; D389-R391 IonicContact OD1-NE 3.1Å; D389-R391 PolarHBondContact OD1-NE 3.05Å; D389-R391 IonicContact OD1-NH2 3.12Å; D389-R391 IonicContact OD2-CZ 3.74Å; D389-R391 IonicContact OD2-NE 3.54Å; D389-R391 PolarHBondContact OD2-NE 3.42Å; D389-R391 IonicContact OD2-NH2 3.4Å; D389-R391 PolarHBondContact OD2-NH2 3.37Å; D389-F392 PolarHBondContact O-N 3.2Å; D389-F392 VanDerWaalsContact O-N 3.08Å; D389-Q393 PolarHBondContact O-N 2.74Å
390	Q	94.6	Very high	94.9	Very high	74 Å²	74	31.9 Å²	31.9	35%	0.346	14%	0.144	S	C	.	.	H	α-helix	trans	-55.6	-28.9	-173.6	-171	60.9	49.4	0	0	113.5	E175 F392 Q393 D394	E175-Q390 WeakPolarHBondContact OE1-CB 3.48Å; E175-Q390 PolarHBondContact OE1-N 2.98Å; Q390-F392 VanDerWaalsContact C-N 3.31Å; Q390-F392 PolarHBondContact O-N 3.12Å; Q390-Q393 PolarHBondContact O-N 3.45Å; Q390-D394 PolarHBondContact NE2-OD1 2.91Å; Q390-D394 VanDerWaalsContact O-CB 3.23Å; Q390-D394 WeakPolarHBondContact O-CB 3.35Å; Q390-D394 PolarHBondContact O-N 3.25Å
391	R	96.8	Very high	94.8	Very high	119 Å²	119	34.5 Å²	34.5	45%	0.449	16%	0.156	S	C	.	.	H	α-helix	trans	-65.1	-37.6	-179.4	-57.6	172.6	-66.5	158.2	0.1	111.6	L274 D389 A395	L274-R391 HydrophobicContact CD1-CB 4.06Å; L274-R391 HydrophobicContact CD2-CB 3.82Å; D389-R391 PolarHBondContact O-N 3.44Å; D389-R391 WeakPolarHBondContact OD1-CB 3.4Å; D389-R391 WeakPolarHBondContact OD1-CG 3.45Å; D389-R391 IonicContact OD1-CZ 3.74Å; D389-R391 PolarHBondContact OD1-N 3.01Å; D389-R391 IonicContact OD1-NE 3.1Å; D389-R391 PolarHBondContact OD1-NE 3.05Å; D389-R391 IonicContact OD1-NH2 3.12Å; D389-R391 IonicContact OD2-CZ 3.74Å; D389-R391 IonicContact OD2-NE 3.54Å; D389-R391 PolarHBondContact OD2-NE 3.42Å; D389-R391 IonicContact OD2-NH2 3.4Å; D389-R391 PolarHBondContact OD2-NH2 3.37Å; R391-A395 PolarHBondContact O-N 3.19Å; R391-A395 VanDerWaalsContact O-N 3.13Å
392	F	97.1	Very high	94.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-71.6	-44.5	177.5	-73.4	-92.5	0	0	0	111.4	A179 L271 L274 L275 V385 L388 D389 Q390 D394 A395 E396	A179-F392 HydrophobicContact CB-CE2 3.82Å; A179-F392 HydrophobicContact CB-CZ 3.8Å; L271-F392 HydrophobicContact CD2-CD1 3.7Å; L271-F392 HydrophobicContact CD2-CE1 4.2Å; L274-F392 HydrophobicContact CB-CE1 3.87Å; L274-F392 HydrophobicContact CB-CE2 4.08Å; L274-F392 HydrophobicContact CB-CZ 3.58Å; L274-F392 HydrophobicContact CD1-CD1 4.13Å; L274-F392 HydrophobicContact CD1-CD2 4.27Å; L274-F392 HydrophobicContact CD1-CE1 4.24Å; L274-F392 HydrophobicContact CD1-CE2 4.38Å; L274-F392 HydrophobicContact CD1-CG 4.14Å; L274-F392 HydrophobicContact CD1-CZ 4.37Å; L275-F392 HydrophobicContact CD2-CE1 4.12Å; L275-F392 HydrophobicContact CD2-CZ 3.97Å; L275-F392 HydrophobicContact CG-CE1 4.1Å; L275-F392 HydrophobicContact CG-CZ 4.22Å; V385-F392 HydrophobicContact CG1-CB 4.15Å; V385-F392 WeakPolarHBondContact CG1-O 3.07Å; L388-F392 HydrophobicContact CB-CB 3.91Å; L388-F392 HydrophobicContact CB-CD2 3.82Å; L388-F392 HydrophobicContact CB-CG 3.85Å; L388-F392 HydrophobicContact CD1-CB 4.4Å; L388-F392 HydrophobicContact CD1-CD1 3.63Å; L388-F392 HydrophobicContact CD1-CD2 4.04Å; L388-F392 HydrophobicContact CD1-CE1 3.81Å; L388-F392 HydrophobicContact CD1-CE2 4.2Å; L388-F392 HydrophobicContact CD1-CG 3.76Å; L388-F392 HydrophobicContact CD1-CZ 4.09Å; L388-F392 HydrophobicContact CG-CG 4.48Å; D389-F392 PolarHBondContact O-N 3.2Å; D389-F392 VanDerWaalsContact O-N 3.08Å; Q390-F392 VanDerWaalsContact C-N 3.31Å; Q390-F392 PolarHBondContact O-N 3.12Å; F392-D394 VanDerWaalsContact C-N 3.31Å; F392-D394 PolarHBondContact O-N 3.45Å; F392-A395 PolarHBondContact O-N 3.35Å; F392-E396 PolarHBondContact O-N 3.14Å
393	Q	93.3	Very high	94.5	Very high	30 Å²	30	34.8 Å²	34.8	14%	0.14	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-38.7	175.6	-69.1	175.5	67.4	0	0	111.6	L388 D389 Q390 E396 Q397 R413	L388-Q393 PolarHBondContact O-NE2 2.92Å; D389-Q393 PolarHBondContact O-N 2.74Å; Q390-Q393 PolarHBondContact O-N 3.45Å; Q393-E396 PolarHBondContact O-N 3.26Å; Q393-Q397 WeakPolarHBondContact O-CB 3.14Å; Q393-Q397 PolarHBondContact O-N 3.46Å; Q393-R413 VanDerWaalsContact OE1-NH1 3.13Å
394	D	93.3	Very high	94.5	Very high	45 Å²	45	34.7 Å²	34.7	24%	0.241	16%	0.162	C	C	.	.	H	α-helix	trans	-64	-40	175.4	-88.8	7.6	0	0	0	112.5	Q390 F392 R398	Q390-D394 PolarHBondContact NE2-OD1 2.91Å; Q390-D394 VanDerWaalsContact O-CB 3.23Å; Q390-D394 WeakPolarHBondContact O-CB 3.35Å; Q390-D394 PolarHBondContact O-N 3.25Å; F392-D394 VanDerWaalsContact C-N 3.31Å; F392-D394 PolarHBondContact O-N 3.45Å; D394-R398 VanDerWaalsContact O-CZ 3.27Å; D394-R398 PolarHBondContact O-N 2.89Å; D394-R398 VanDerWaalsContact O-N 3.09Å; D394-R398 PolarHBondContact O-NH1 3.08Å; D394-R398 VanDerWaalsContact O-NH1 3.12Å
395	A	96	Very high	94.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-45.8	175	0	0	0	0	0	110.6	F267 E270 R391 F392 R398 F399	F267-A395 HydrophobicContact CD2-CB 4.05Å; F267-A395 WeakPolarHBondContact CD2-O 3.19Å; F267-A395 VanDerWaalsContact CE2-C 3.46Å; F267-A395 HydrophobicContact CE2-CB 3.88Å; E270-A395 HydrophobicContact CG-CB 3.87Å; R391-A395 PolarHBondContact O-N 3.19Å; R391-A395 VanDerWaalsContact O-N 3.13Å; F392-A395 PolarHBondContact O-N 3.35Å; A395-R398 VanDerWaalsContact CA-NH2 3.34Å; A395-R398 PolarHBondContact O-N 2.69Å; A395-F399 PolarHBondContact O-N 2.77Å
396	E	94.1	Very high	93.9	Very high	44 Å²	44	35.9 Å²	35.9	21%	0.206	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-44.8	177.9	-177.5	165.9	-128.5	0	0	111.1	F267 V385 F392 Q393 R398 F399 L400	F267-E396 VanDerWaalsContact CE2-CA 3.45Å; F267-E396 HydrophobicContact CE2-CB 4.07Å; F267-E396 HydrophobicContact CZ-CB 4.48Å; V385-E396 HydrophobicContact CG1-CB 3.79Å; V385-E396 HydrophobicContact CG1-CG 4.48Å; F392-E396 PolarHBondContact O-N 3.14Å; Q393-E396 PolarHBondContact O-N 3.26Å; E396-R398 VanDerWaalsContact C-N 3.34Å; E396-R398 PolarHBondContact O-N 3.37Å; E396-F399 WeakPolarHBondContact O-CB 3.49Å; E396-F399 PolarHBondContact O-N 3.46Å; E396-F399 VanDerWaalsContact O-N 3.09Å; E396-L400 HydrophobicContact CG-CD1 3.95Å; E396-L400 HydrophobicContact CG-CG 4.18Å; E396-L400 VanDerWaalsContact O-CG 3.31Å; E396-L400 WeakPolarHBondContact O-CG 2.96Å; E396-L400 PolarHBondContact O-N 2.89Å
397	Q	91.9	Very high	93.3	Very high	40 Å²	40	42.2 Å²	42.2	19%	0.187	20%	0.195	C	C	.	.	H	α-helix	trans	-55.4	-49.1	177.4	-179.4	57.8	35.8	0	0	111	Q393 F399 L400 E401	Q393-Q397 WeakPolarHBondContact O-CB 3.14Å; Q393-Q397 PolarHBondContact O-N 3.46Å; Q397-F399 VanDerWaalsContact C-N 3.28Å; Q397-F399 PolarHBondContact O-N 2.88Å; Q397-L400 CarbonylContact O-C 3.51Å; Q397-L400 WeakPolarHBondContact O-CA 3.49Å; Q397-L400 WeakPolarHBondContact O-CB 3.07Å; Q397-L400 PolarHBondContact O-N 2.88Å; Q397-E401 HydrophobicContact CG-CG 4.48Å; Q397-E401 PolarHBondContact NE2-OE1 2.91Å; Q397-E401 WeakPolarHBondContact O-CG 3.45Å; Q397-E401 PolarHBondContact O-N 3.21Å
398	R	93.5	Very high	92	Very high	96 Å²	96	48.4 Å²	48.4	36%	0.362	22%	0.221	S	C	.	.	H	α-helix	trans	-53.9	-43	176.5	-83.2	-174.7	-71	-72.7	3.9	112.8	E270 D394 A395 E396 E401	E270-R398 IonicContact OE1-CZ 3.72Å; E270-R398 IonicContact OE1-NE 3.7Å; E270-R398 IonicContact OE1-NH2 2.75Å; E270-R398 PolarHBondContact OE1-NH2 2.82Å; E270-R398 IonicContact OE2-CZ 3.56Å; E270-R398 IonicContact OE2-NE 3.54Å; E270-R398 PolarHBondContact OE2-NE 3.42Å; E270-R398 VanDerWaalsContact OE2-NE 3.1Å; E270-R398 IonicContact OE2-NH2 2.74Å; E270-R398 PolarHBondContact OE2-NH2 3.36Å; D394-R398 VanDerWaalsContact O-CZ 3.27Å; D394-R398 PolarHBondContact O-N 2.89Å; D394-R398 VanDerWaalsContact O-N 3.09Å; D394-R398 PolarHBondContact O-NH1 3.08Å; D394-R398 VanDerWaalsContact O-NH1 3.12Å; A395-R398 VanDerWaalsContact CA-NH2 3.34Å; A395-R398 PolarHBondContact O-N 2.69Å; E396-R398 VanDerWaalsContact C-N 3.34Å; E396-R398 PolarHBondContact O-N 3.37Å; R398-E401 PolarHBondContact O-N 3.49Å
399	F	95.3	Very high	90.4	Very high	10 Å²	10	49.3 Å²	49.3	4%	0.044	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-44.6	176.3	172.2	-110.4	0	0	0	111.8	L245 A263 Y264 F267 A395 E396 Q397 E401 V402 M403	L245-F399 HydrophobicContact CD2-CE2 3.96Å; L245-F399 HydrophobicContact CD2-CZ 3.54Å; A263-F399 HydrophobicContact CB-CD2 4.28Å; Y264-F399 AromaticContact CD2-CE2 3.87Å; Y264-F399 HydrophobicContact CD2-CE2 3.87Å; Y264-F399 AromaticContact CD2-CZ 3.92Å; Y264-F399 HydrophobicContact CD2-CZ 3.92Å; Y264-F399 HydrophobicContact CG-CE2 4.34Å; F267-F399 HydrophobicContact CB-CB 3.87Å; F267-F399 HydrophobicContact CB-CD2 4.16Å; F267-F399 HydrophobicContact CB-CG 4.14Å; F267-F399 HydrophobicContact CD1-CG 4.47Å; F267-F399 HydrophobicContact CD2-CB 3.85Å; F267-F399 HydrophobicContact CG-CB 3.79Å; F267-F399 HydrophobicContact CG-CG 4.07Å; A395-F399 PolarHBondContact O-N 2.77Å; E396-F399 WeakPolarHBondContact O-CB 3.49Å; E396-F399 PolarHBondContact O-N 3.46Å; E396-F399 VanDerWaalsContact O-N 3.09Å; Q397-F399 VanDerWaalsContact C-N 3.28Å; Q397-F399 PolarHBondContact O-N 2.88Å; F399-E401 VanDerWaalsContact C-N 3.29Å; F399-E401 PolarHBondContact O-N 2.89Å; F399-V402 PolarHBondContact O-N 3.41Å; F399-M403 HydrophobicContact CD1-CG 4.36Å; F399-M403 HydrophobicContact CD2-CG 4.25Å; F399-M403 HydrophobicContact CE1-CG 3.79Å; F399-M403 HydrophobicContact CE2-CG 3.65Å; F399-M403 HydrophobicContact CE2-SD 3.97Å; F399-M403 HydrophobicContact CZ-CG 3.39Å; F399-M403 HydrophobicContact CZ-SD 3.83Å; F399-M403 PolarHBondContact O-N 2.92Å; F399-M403 VanDerWaalsContact O-N 3.07Å
400	L	93.2	Very high	88.8	Confident	48 Å²	48	55.2 Å²	55.2	25%	0.251	27%	0.268	S	S	.	.	H	α-helix	trans	-63.6	-31.6	177.5	-64.2	176.2	0	0	0	112.6	E396 Q397 V402 M403 Y404 T406	E396-L400 HydrophobicContact CG-CD1 3.95Å; E396-L400 HydrophobicContact CG-CG 4.18Å; E396-L400 VanDerWaalsContact O-CG 3.31Å; E396-L400 WeakPolarHBondContact O-CG 2.96Å; E396-L400 PolarHBondContact O-N 2.89Å; Q397-L400 CarbonylContact O-C 3.51Å; Q397-L400 WeakPolarHBondContact O-CA 3.49Å; Q397-L400 WeakPolarHBondContact O-CB 3.07Å; Q397-L400 PolarHBondContact O-N 2.88Å; L400-V402 VanDerWaalsContact C-N 3.31Å; L400-V402 PolarHBondContact O-N 2.84Å; L400-M403 PolarHBondContact O-N 3.4Å; L400-Y404 HydrophobicContact CB-CD2 4.26Å; L400-Y404 HydrophobicContact CD2-CD2 3.78Å; L400-Y404 HydrophobicContact CD2-CE2 3.5Å; L400-Y404 VanDerWaalsContact CD2-CE2 3.5Å; L400-Y404 PolarHBondContact O-N 3.18Å; L400-T406 PolarHBondContact O-OG1 3.02Å
401	E	93.1	Very high	88	Confident	57 Å²	57	55.1 Å²	55.1	27%	0.266	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-39.1	175.1	-38	-161.1	155.4	0	0	111.6	Q397 R398 F399 G405 T406 K408	Q397-E401 HydrophobicContact CG-CG 4.48Å; Q397-E401 PolarHBondContact NE2-OE1 2.91Å; Q397-E401 WeakPolarHBondContact O-CG 3.45Å; Q397-E401 PolarHBondContact O-N 3.21Å; R398-E401 PolarHBondContact O-N 3.49Å; F399-E401 VanDerWaalsContact C-N 3.29Å; F399-E401 PolarHBondContact O-N 2.89Å; E401-G405 WeakPolarHBondContact O-CA 3.37Å; E401-G405 PolarHBondContact O-N 3.26Å; E401-T406 WeakPolarHBondContact CA-O 3.29Å; E401-T406 VanDerWaalsContact CB-O 3.3Å; E401-T406 WeakPolarHBondContact CB-O 3.37Å; E401-T406 WeakPolarHBondContact CG-O 3.49Å; E401-K408 WeakPolarHBondContact OE1-CA 3.1Å; E401-K408 WeakPolarHBondContact OE1-CB 3.39Å; E401-K408 PolarHBondContact OE1-N 2.93Å
402	V	94.9	Very high	87.6	Confident	54 Å²	54	52 Å²	52	33%	0.327	27%	0.267	S	S	.	.	H	α-helix	trans	-71	-42.6	176.5	-177.7	0	0	0	0	110.7	Y260 A263 F399 L400	Y260-V402 HydrophobicContact CD1-CG1 4.13Å; Y260-V402 VanDerWaalsContact CE1-O 3.25Å; Y260-V402 WeakPolarHBondContact CE1-O 3.45Å; A263-V402 HydrophobicContact CB-CB 3.78Å; A263-V402 HydrophobicContact CB-CG1 3.67Å; A263-V402 HydrophobicContact CB-CG2 3.87Å; F399-V402 PolarHBondContact O-N 3.41Å; L400-V402 VanDerWaalsContact C-N 3.31Å; L400-V402 PolarHBondContact O-N 2.84Å
403	M	93.9	Very high	87.4	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-67.3	-43.5	-177.9	-73	-57.5	-53.6	0	0	113.1	L245 P246 Y250 Y260 F399 L400 E703	L245-M403 HydrophobicContact CD2-SD 4.16Å; P246-M403 HydrophobicContact CG-CE 3.74Å; Y250-M403 HydrophobicContact CD1-CE 4.19Å; Y250-M403 HydrophobicContact CE1-CE 3.61Å; Y250-M403 HydrophobicContact CE1-SD 4.42Å; Y250-M403 HydrophobicContact CE2-CE 4.3Å; Y260-M403 HydrophobicContact CD1-CE 4.27Å; Y260-M403 HydrophobicContact CD1-SD 3.51Å; Y260-M403 VanDerWaalsContact CD1-SD 3.51Å; Y260-M403 HydrophobicContact CE1-SD 4.28Å; Y260-M403 HydrophobicContact CG-SD 4.16Å; F399-M403 HydrophobicContact CD1-CG 4.36Å; F399-M403 HydrophobicContact CD2-CG 4.25Å; F399-M403 HydrophobicContact CE1-CG 3.79Å; F399-M403 HydrophobicContact CE2-CG 3.65Å; F399-M403 HydrophobicContact CE2-SD 3.97Å; F399-M403 HydrophobicContact CZ-CG 3.39Å; F399-M403 HydrophobicContact CZ-SD 3.83Å; F399-M403 PolarHBondContact O-N 2.92Å; F399-M403 VanDerWaalsContact O-N 3.07Å; L400-M403 PolarHBondContact O-N 3.4Å; M403-E703 WeakPolarHBondContact O-CB 3.45Å
404	Y	93.6	Very high	87.5	Confident	60 Å²	60	53.3 Å²	53.3	24%	0.235	27%	0.271	C	S	.	.	H	α-helix	trans	-123.4	-2.4	-166.9	-57.2	-65.8	0	0	0	113.7	S126 L400 T406 T701 E707	S126-Y404 WeakPolarHBondContact CB-O 3.24Å; L400-Y404 HydrophobicContact CB-CD2 4.26Å; L400-Y404 HydrophobicContact CD2-CD2 3.78Å; L400-Y404 HydrophobicContact CD2-CE2 3.5Å; L400-Y404 VanDerWaalsContact CD2-CE2 3.5Å; L400-Y404 PolarHBondContact O-N 3.18Å; Y404-T406 PolarHBondContact O-N 3.06Å; Y404-T701 WeakPolarHBondContact O-CB 3.14Å; Y404-T701 PolarHBondContact O-OG1 2.99Å; Y404-E707 HydrophobicContact CD1-CG 4.34Å; Y404-E707 HydrophobicContact CE1-CB 4.43Å; Y404-E707 HydrophobicContact CE1-CG 3.75Å
405	G	91.7	Very high	87.6	Confident	14 Å²	14	53 Å²	53	14%	0.144	27%	0.268	C	S	.	.			trans	69	14.9	-178.1	0	0	0	0	0	113.3	E401 K407	E401-G405 WeakPolarHBondContact O-CA 3.37Å; E401-G405 PolarHBondContact O-N 3.26Å; G405-K407 PolarHBondContact O-N 3.02Å
406	T	86.6	Confident	87.5	Confident	15 Å²	15	55.3 Å²	55.3	9%	0.092	28%	0.28	C	S	.	.			trans	-67.3	97.9	175.1	51.6	0	0	0	0	108.4	L400 E401 Y404	L400-T406 PolarHBondContact O-OG1 3.02Å; E401-T406 WeakPolarHBondContact CA-O 3.29Å; E401-T406 VanDerWaalsContact CB-O 3.3Å; E401-T406 WeakPolarHBondContact CB-O 3.37Å; E401-T406 WeakPolarHBondContact CG-O 3.49Å; Y404-T406 PolarHBondContact O-N 3.06Å
407	K	78.6	Confident	87.6	Confident	170 Å²	170	53.2 Å²	53.2	74%	0.739	27%	0.27	S	S	*	.			trans	-58.4	142.1	174.9	-65.9	-174.7	178.7	-178.6	0	109.8	G124 G405 S409	G124-K407 WeakPolarHBondContact CA-O 3.21Å; G124-K407 PolarHBondContact N-O 3.41Å; G405-K407 PolarHBondContact O-N 3.02Å; K407-S409 PolarHBondContact O-N 2.82Å
408	K	67.4	Low	87.9	Confident	133 Å²	133	51.3 Å²	51.3	58%	0.578	26%	0.261	S	S	*	.			trans	-47.1	109.1	176.1	-163.6	173.5	-174.6	176.5	0	110.2	E401	E401-K408 WeakPolarHBondContact OE1-CA 3.1Å; E401-K408 WeakPolarHBondContact OE1-CB 3.39Å; E401-K408 PolarHBondContact OE1-N 2.93Å
409	S	62.9	Low	88.1	Confident	24 Å²	24	49.1 Å²	49.1	17%	0.168	26%	0.26	C	S	.	.			trans	-128.8	145.5	165.1	91.1	0	0	0	0	107.3	E123 G124 K407 T411	E123-S409 PolarHBondContact O-OG 2.88Å; G124-S409 WeakPolarHBondContact CA-OG 3.29Å; G124-S409 PolarHBondContact N-OG 3.28Å; K407-S409 PolarHBondContact O-N 2.82Å; S409-T411 PolarHBondContact O-N 2.8Å
410	C	62.5	Low	88.2	Confident	125 Å²	125	50.1 Å²	50.1	85%	0.845	27%	0.267	S	S	*	.			trans	-69.8	80.2	174.3	-60.2	0	0	0	0	108	P412	C410-P412 WeakPolarHBondContact O-CD 3.45Å; C410-P412 VanDerWaalsContact O-N 3.07Å
411	T	77.9	Confident	88.4	Confident	72 Å²	72	47.9 Å²	47.9	44%	0.442	26%	0.255	S	S	.	.			trans	-56.1	116.6	170.3	-67.6	0	0	0	0	106.6	S409 R413 K415	S409-T411 PolarHBondContact O-N 2.8Å; T411-R413 PolarHBondContact O-N 3.48Å; T411-K415 HydrophobicContact CG2-CB 4.08Å; T411-K415 HydrophobicContact CG2-CD 4.29Å
412	P	89.8	Confident	88.6	Confident	53 Å²	53	45.7 Å²	45.7	34%	0.344	25%	0.245	S	C	.	.			trans	-60.2	137.1	-174.5	-26.9	36.1	0	0	0	111	C410 W414 K415	C410-P412 WeakPolarHBondContact O-CD 3.45Å; C410-P412 VanDerWaalsContact O-N 3.07Å; P412-W414 HydrophobicContact CB-CG 4.18Å; P412-W414 VanDerWaalsContact CB-NE1 3.26Å; P412-W414 PolarHBondContact O-N 3.43Å; P412-K415 WeakPolarHBondContact O-CB 3.44Å; P412-K415 PolarHBondContact O-N 3.39Å
413	R	92.5	Very high	88.7	Confident	19 Å²	19	46.6 Å²	46.6	7%	0.072	25%	0.254	C	S	.	.	H	α-helix	trans	-48.6	-39.7	-179.9	-179	66.4	-178.1	175.3	2.4	113	C168 M169 E171 Q393 T411 K415 L416 C417	C168-R413 PolarHBondContact O-NE 3.46Å; C168-R413 PolarHBondContact O-NH2 3.37Å; C168-R413 PolarHBondContact SG-NH2 3.48Å; M169-R413 HydrophobicContact SD-CG 4.13Å; E171-R413 HydrophobicContact CG-CB 4.48Å; E171-R413 HydrophobicContact CG-CG 3.81Å; E171-R413 WeakPolarHBondContact OE1-CB 3.44Å; Q393-R413 VanDerWaalsContact OE1-NH1 3.13Å; T411-R413 PolarHBondContact O-N 3.48Å; R413-K415 PolarHBondContact O-N 2.9Å; R413-K415 VanDerWaalsContact O-N 3.13Å; R413-L416 WeakPolarHBondContact O-CB 3.19Å; R413-L416 PolarHBondContact O-N 3.03Å; R413-L416 VanDerWaalsContact O-N 3.11Å; R413-C417 PolarHBondContact O-N 2.78Å; R413-C417 PolarHBondContact O-SG 3.22Å
414	W	96	Very high	88.8	Confident	39 Å²	39	46.9 Å²	46.9	15%	0.148	26%	0.256	C	S	.	.	H	α-helix	trans	-57.1	-30.5	178.9	74.6	-103.9	0	0	0	113.3	M139 L140 K143 F165 M169 P412 C417 V418	M139-W414 HydrophobicContact CB-CH2 4.32Å; M139-W414 HydrophobicContact CB-CZ3 4Å; M139-W414 HydrophobicContact CE-CZ3 4.27Å; L140-W414 HydrophobicContact CD2-CH2 3.73Å; L140-W414 HydrophobicContact CD2-CZ2 3.97Å; L140-W414 HydrophobicContact CG-CH2 4.28Å; K143-W414 HydrophobicContact CB-CE3 3.9Å; K143-W414 HydrophobicContact CB-CZ3 4Å; K143-W414 HydrophobicContact CD-CB 4.48Å; K143-W414 HydrophobicContact CD-CD2 3.53Å; K143-W414 HydrophobicContact CD-CE3 3.58Å; K143-W414 HydrophobicContact CD-CG 3.93Å; K143-W414 HydrophobicContact CD-CH2 4.33Å; K143-W414 HydrophobicContact CD-CZ2 4.29Å; K143-W414 HydrophobicContact CD-CZ3 3.98Å; K143-W414 HydrophobicContact CG-CD2 4.21Å; K143-W414 HydrophobicContact CG-CE3 3.9Å; K143-W414 HydrophobicContact CG-CZ3 4.4Å; F165-W414 HydrophobicContact CZ-CB 4.46Å; M169-W414 HydrophobicContact CE-CB 3.99Å; M169-W414 WeakPolarHBondContact SD-CA 3.3Å; M169-W414 HydrophobicContact SD-CB 3.75Å; P412-W414 HydrophobicContact CB-CG 4.18Å; P412-W414 VanDerWaalsContact CB-NE1 3.26Å; P412-W414 PolarHBondContact O-N 3.43Å; W414-C417 PolarHBondContact O-N 2.81Å; W414-V418 HydrophobicContact CE3-CG2 3.86Å; W414-V418 HydrophobicContact CZ3-CG2 4.27Å; W414-V418 WeakPolarHBondContact O-CB 3.42Å; W414-V418 VanDerWaalsContact O-CG2 3.23Å; W414-V418 WeakPolarHBondContact O-CG2 3.26Å; W414-V418 PolarHBondContact O-N 3.4Å
415	K	94.4	Very high	88.9	Confident	40 Å²	40	44 Å²	44	17%	0.174	25%	0.245	C	C	.	.	H	α-helix	trans	-67.8	-45.2	177.9	-70.8	-165.2	-177.7	-170.4	0	111.5	E136 M139 T411 P412 R413 C417 V418 S419	E136-K415 IonicContact OE1-NZ 3.2Å; E136-K415 PolarHBondContact OE1-NZ 2.75Å; E136-K415 VanDerWaalsContact OE2-CE 3.23Å; E136-K415 WeakPolarHBondContact OE2-CE 3.4Å; E136-K415 IonicContact OE2-NZ 3.61Å; E136-K415 PolarHBondContact OE2-NZ 3.22Å; M139-K415 VanDerWaalsContact CE-CA 3.46Å; M139-K415 HydrophobicContact CE-CB 3.57Å; M139-K415 HydrophobicContact CE-CD 4.41Å; M139-K415 HydrophobicContact CE-CG 3.85Å; M139-K415 WeakPolarHBondContact CE-O 3.45Å; T411-K415 HydrophobicContact CG2-CB 4.08Å; T411-K415 HydrophobicContact CG2-CD 4.29Å; P412-K415 WeakPolarHBondContact O-CB 3.44Å; P412-K415 PolarHBondContact O-N 3.39Å; R413-K415 PolarHBondContact O-N 2.9Å; R413-K415 VanDerWaalsContact O-N 3.13Å; K415-C417 VanDerWaalsContact C-N 3.33Å; K415-V418 PolarHBondContact O-N 3.2Å; K415-S419 WeakPolarHBondContact O-CB 3.39Å; K415-S419 PolarHBondContact O-N 3.47Å
416	L	93.3	Very high	89.2	Confident	47 Å²	47	43.5 Å²	43.5	25%	0.246	24%	0.24	C	C	.	.	H	α-helix	trans	-58.6	-49.5	173.1	-177.3	158.3	0	0	0	109.5	R413 V418 S419 D420	R413-L416 WeakPolarHBondContact O-CB 3.19Å; R413-L416 PolarHBondContact O-N 3.03Å; R413-L416 VanDerWaalsContact O-N 3.11Å; L416-V418 PolarHBondContact O-N 3.38Å; L416-S419 PolarHBondContact O-N 2.92Å; L416-D420 WeakPolarHBondContact O-CB 3.29Å; L416-D420 PolarHBondContact O-N 2.88Å
417	C	97.3	Very high	89.7	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-36.6	-177.9	-62.5	0	0	0	0	113.8	F165 C168 M169 R413 W414 K415 T421	F165-C417 HydrophobicContact CD2-CB 3.67Å; F165-C417 HydrophobicContact CE2-CB 3.68Å; C168-C417 HydrophobicContact CB-CB 3.66Å; C168-C417 WeakPolarHBondContact CB-SG 2.98Å; C168-C417 PolarHBondContact O-SG 3.22Å; C168-C417 WeakPolarHBondContact SG-CA 3.42Å; C168-C417 WeakPolarHBondContact SG-CB 3.23Å; C168-C417 CovalentContact SG-SG 2.04Å; C168-C417 PolarHBondContact SG-SG 3.37Å; M169-C417 HydrophobicContact CG-CB 4.25Å; M169-C417 HydrophobicContact SD-CB 3.98Å; R413-C417 PolarHBondContact O-N 2.78Å; R413-C417 PolarHBondContact O-SG 3.22Å; W414-C417 PolarHBondContact O-N 2.81Å; K415-C417 VanDerWaalsContact C-N 3.33Å; C417-T421 WeakPolarHBondContact O-CB 3.41Å; C417-T421 PolarHBondContact O-N 3.47Å; C417-T421 PolarHBondContact O-OG1 2.96Å
418	V	98.3	Very high	90.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-48.1	172.6	167.4	0	0	0	0	110.3	M139 M142 K143 L146 F165 W414 K415 L416 D420 T421 D422	M139-V418 HydrophobicContact CB-CG1 4.4Å; M139-V418 HydrophobicContact CE-CB 4.21Å; M139-V418 HydrophobicContact CE-CG1 4.24Å; M139-V418 HydrophobicContact CG-CG1 4.3Å; M142-V418 HydrophobicContact CB-CG1 3.77Å; M142-V418 HydrophobicContact CE-CG1 3.74Å; M142-V418 HydrophobicContact SD-CG1 4.29Å; K143-V418 HydrophobicContact CB-CG2 4.04Å; L146-V418 HydrophobicContact CD1-CG2 4.04Å; F165-V418 HydrophobicContact CD2-CG2 4.4Å; F165-V418 HydrophobicContact CE2-CG2 3.86Å; W414-V418 HydrophobicContact CE3-CG2 3.86Å; W414-V418 HydrophobicContact CZ3-CG2 4.27Å; W414-V418 WeakPolarHBondContact O-CB 3.42Å; W414-V418 VanDerWaalsContact O-CG2 3.23Å; W414-V418 WeakPolarHBondContact O-CG2 3.26Å; W414-V418 PolarHBondContact O-N 3.4Å; K415-V418 PolarHBondContact O-N 3.2Å; L416-V418 PolarHBondContact O-N 3.38Å; V418-D420 PolarHBondContact O-N 3.33Å; V418-T421 PolarHBondContact O-N 3.09Å; V418-D422 PolarHBondContact O-N 3.22Å
419	S	96.6	Very high	92.2	Very high	50 Å²	50	30.6 Å²	30.6	35%	0.35	18%	0.182	S	C	.	.	H	α-helix	trans	-63.2	-42.4	-178.8	-168.6	0	0	0	0	112.4	K415 L416 S423	K415-S419 WeakPolarHBondContact O-CB 3.39Å; K415-S419 PolarHBondContact O-N 3.47Å; L416-S419 PolarHBondContact O-N 2.92Å; S419-S423 PolarHBondContact O-N 3Å; S419-S423 PolarHBondContact O-OG 3.24Å
420	D	97	Very high	93.8	Very high	32 Å²	32	29.4 Å²	29.4	17%	0.171	17%	0.174	C	C	.	.	H	α-helix	trans	-70.5	-38.2	178.4	-169.3	70.8	0	0	0	111.4	Y164 L416 V418 D422 S423 A424 Y512	Y164-D420 WeakPolarHBondContact CE1-OD2 3.27Å; Y164-D420 PolarHBondContact OH-OD2 2.98Å; L416-D420 WeakPolarHBondContact O-CB 3.29Å; L416-D420 PolarHBondContact O-N 2.88Å; V418-D420 PolarHBondContact O-N 3.33Å; D420-D422 PolarHBondContact O-N 3.32Å; D420-S423 WeakPolarHBondContact O-CB 3.44Å; D420-S423 PolarHBondContact O-N 3.15Å; D420-A424 WeakPolarHBondContact O-CB 3.45Å; D420-A424 PolarHBondContact O-N 2.79Å; D420-Y512 WeakPolarHBondContact OD2-CE2 3.28Å; D420-Y512 PolarHBondContact OD2-OH 3.42Å
421	T	98.2	Very high	95.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-40.9	173.8	-57.3	0	0	0	0	112	L146 T161 Y164 F165 C417 V418 S423 A424 L425 L429	L146-T421 HydrophobicContact CD1-CG2 4.26Å; L146-T421 HydrophobicContact CD2-CG2 3.97Å; T161-T421 HydrophobicContact CG2-CG2 3.48Å; T161-T421 VanDerWaalsContact CG2-CG2 3.48Å; Y164-T421 HydrophobicContact CD1-CG2 4.39Å; F165-T421 HydrophobicContact CB-CG2 4.41Å; C417-T421 WeakPolarHBondContact O-CB 3.41Å; C417-T421 PolarHBondContact O-N 3.47Å; C417-T421 PolarHBondContact O-OG1 2.96Å; V418-T421 PolarHBondContact O-N 3.09Å; T421-S423 VanDerWaalsContact C-N 3.34Å; T421-A424 PolarHBondContact O-N 2.89Å; T421-L425 WeakPolarHBondContact O-CA 3.25Å; T421-L425 WeakPolarHBondContact O-CB 3.36Å; T421-L425 PolarHBondContact O-N 3.37Å; T421-L429 HydrophobicContact CG2-CD2 4.49Å
422	D	98	Very high	96.4	Very high	12 Å²	12	20.2 Å²	20.2	6%	0.064	11%	0.114	C	C	.	.	H	α-helix	trans	-65	-38.6	173.6	-173.2	40.5	0	0	0	111.4	V418 D420 A424 G426 L429 T543 P545	V418-D422 PolarHBondContact O-N 3.22Å; D420-D422 PolarHBondContact O-N 3.32Å; D422-A424 VanDerWaalsContact C-N 3.35Å; D422-A424 PolarHBondContact O-N 3.16Å; D422-G426 WeakPolarHBondContact O-CA 3.5Å; D422-G426 PolarHBondContact O-N 3.08Å; D422-G426 WeakPolarHBondContact OD1-CA 3.12Å; D422-L429 HydrophobicContact CB-CD2 4.01Å; D422-T543 PolarHBondContact OD1-OG1 2.95Å; D422-T543 PolarHBondContact OD2-OG1 3.36Å; D422-P545 WeakPolarHBondContact OD1-CG 3.41Å
423	S	95.5	Very high	96.8	Very high	73 Å²	73	17.7 Å²	17.7	51%	0.51	10%	0.098	S	C	.	.	H	α-helix	trans	-63.6	-39.7	175.4	-57.8	0	0	0	0	112.4	S419 D420 T421 Y519	S419-S423 PolarHBondContact O-N 3Å; S419-S423 PolarHBondContact O-OG 3.24Å; D420-S423 WeakPolarHBondContact O-CB 3.44Å; D420-S423 PolarHBondContact O-N 3.15Å; T421-S423 VanDerWaalsContact C-N 3.34Å; S423-Y519 PolarHBondContact O-OH 2.91Å
424	A	96	Very high	96.9	Very high	6 Å²	6	17 Å²	17	5%	0.05	10%	0.095	C	C	.	.	H	α-helix	trans	-83.1	-39.2	-177.1	0	0	0	0	0	113.9	Y164 D420 T421 D422 Y519	Y164-A424 HydrophobicContact CE1-CB 4.08Å; Y164-A424 HydrophobicContact CE2-CB 4.34Å; D420-A424 WeakPolarHBondContact O-CB 3.45Å; D420-A424 PolarHBondContact O-N 2.79Å; T421-A424 PolarHBondContact O-N 2.89Å; D422-A424 VanDerWaalsContact C-N 3.35Å; D422-A424 PolarHBondContact O-N 3.16Å; A424-Y519 HydrophobicContact CB-CD1 4.48Å; A424-Y519 HydrophobicContact CB-CD2 3.77Å; A424-Y519 HydrophobicContact CB-CE2 4Å; A424-Y519 HydrophobicContact CB-CG 4.02Å; A424-Y519 VanDerWaalsContact O-CE2 3.28Å; A424-Y519 WeakPolarHBondContact O-CE2 3.45Å
425	L	97.5	Very high	96.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-136	21	-165.8	-74	172.5	0	0	0	112.6	T161 Y164 T421 F427 A428 L429 F502 F505	T161-L425 VanDerWaalsContact CA-CD1 3.47Å; T161-L425 HydrophobicContact CG2-CB 4.04Å; T161-L425 HydrophobicContact CG2-CD1 4.39Å; Y164-L425 HydrophobicContact CG-CD1 4.21Å; T421-L425 WeakPolarHBondContact O-CA 3.25Å; T421-L425 WeakPolarHBondContact O-CB 3.36Å; T421-L425 PolarHBondContact O-N 3.37Å; L425-F427 PolarHBondContact O-N 2.73Å; L425-A428 WeakPolarHBondContact O-CA 3.43Å; L425-A428 WeakPolarHBondContact O-CB 3.43Å; L425-A428 PolarHBondContact O-N 3.24Å; L425-L429 PolarHBondContact O-N 2.86Å; L425-F502 HydrophobicContact CD2-CD1 3.42Å; L425-F502 VanDerWaalsContact CD2-CD1 3.42Å; L425-F502 HydrophobicContact CD2-CE1 3.49Å; L425-F502 VanDerWaalsContact CD2-CE1 3.49Å; L425-F502 HydrophobicContact CD2-CG 4.09Å; L425-F502 HydrophobicContact CD2-CZ 4.2Å; L425-F505 HydrophobicContact CD1-CD1 4.44Å; L425-F505 HydrophobicContact CD1-CE1 3.82Å; L425-F505 HydrophobicContact CD2-CD1 3.57Å; L425-F505 HydrophobicContact CD2-CE1 3.66Å; L425-F505 HydrophobicContact CG-CD1 4.21Å; L425-F505 HydrophobicContact CG-CE1 3.76Å
426	G	97.4	Very high	96.8	Very high	4 Å²	4	22.9 Å²	22.9	4%	0.041	13%	0.125	C	C	.	.	H	α-helix	trans	-61.8	-20.3	-169.4	0	0	0	0	0	116.6	D422 G430	D422-G426 WeakPolarHBondContact O-CA 3.5Å; D422-G426 PolarHBondContact O-N 3.08Å; D422-G426 WeakPolarHBondContact OD1-CA 3.12Å; G426-G430 VanDerWaalsContact O-CA 3.3Å; G426-G430 WeakPolarHBondContact O-CA 3.4Å; G426-G430 PolarHBondContact O-N 2.95Å
427	F	97.7	Very high	96.7	Very high	46 Å²	46	22.9 Å²	22.9	20%	0.202	13%	0.128	C	C	.	.	H	α-helix	trans	-74.2	-34.7	169.4	-68.5	-61.5	0	0	0	112.9	L425 A431 P489 F491 I492 F502 W540	L425-F427 PolarHBondContact O-N 2.73Å; F427-A431 PolarHBondContact O-N 2.88Å; F427-A431 VanDerWaalsContact O-N 3.15Å; F427-P489 HydrophobicContact CD1-CG 4.2Å; F427-P489 HydrophobicContact CE1-CG 4.19Å; F427-F491 HydrophobicContact CB-CZ 4.29Å; F427-F491 HydrophobicContact CD1-CZ 4.21Å; F427-F491 HydrophobicContact CG-CZ 4.1Å; F427-I492 HydrophobicContact CB-CG2 4.07Å; F427-I492 HydrophobicContact CD1-CG2 4.3Å; F427-F502 HydrophobicContact CB-CE2 4.16Å; F427-F502 HydrophobicContact CB-CZ 4.16Å; F427-W540 HydrophobicContact CE1-CB 3.97Å; F427-W540 HydrophobicContact CZ-CB 4.05Å; F427-W540 WeakPolarHBondContact CZ-O 3.08Å
428	A	98.1	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-74.4	-41.8	173.4	0	0	0	0	0	111.1	A157 T161 L425 G430 A431 L432 L498 F502	A157-A428 HydrophobicContact CB-CB 3.97Å; T161-A428 VanDerWaalsContact OG1-CB 3.23Å; T161-A428 WeakPolarHBondContact OG1-CB 3.17Å; L425-A428 WeakPolarHBondContact O-CA 3.43Å; L425-A428 WeakPolarHBondContact O-CB 3.43Å; L425-A428 PolarHBondContact O-N 3.24Å; A428-G430 VanDerWaalsContact C-N 3.29Å; A428-G430 PolarHBondContact O-N 3.06Å; A428-A431 WeakPolarHBondContact O-CB 3.48Å; A428-A431 PolarHBondContact O-N 2.84Å; A428-L432 PolarHBondContact O-N 3.44Å; A428-L498 HydrophobicContact CB-CD1 4.32Å; A428-L498 HydrophobicContact CB-CD2 4.42Å; A428-F502 HydrophobicContact CB-CD2 4.24Å; A428-F502 HydrophobicContact CB-CE2 3.93Å
429	L	98.3	Very high	95.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.4	-38.1	170	-176.4	50.9	0	0	0	111.8	M142 L146 T161 T421 D422 L425 A431 L432 F433	M142-L429 HydrophobicContact CB-CD1 4.31Å; M142-L429 HydrophobicContact CB-CD2 4.25Å; M142-L429 HydrophobicContact CG-CD1 4.19Å; M142-L429 HydrophobicContact CG-CD2 4.04Å; M142-L429 HydrophobicContact CG-CG 4.13Å; M142-L429 HydrophobicContact SD-CD2 3.52Å; M142-L429 VanDerWaalsContact SD-CD2 3.52Å; M142-L429 HydrophobicContact SD-CG 3.98Å; L146-L429 HydrophobicContact CD1-CD1 4.26Å; L146-L429 HydrophobicContact CD1-CD2 4.2Å; L146-L429 HydrophobicContact CD2-CD1 3.93Å; L146-L429 HydrophobicContact CG-CD1 3.97Å; T161-L429 HydrophobicContact CG2-CB 3.91Å; T161-L429 HydrophobicContact CG2-CD1 4.5Å; T421-L429 HydrophobicContact CG2-CD2 4.49Å; D422-L429 HydrophobicContact CB-CD2 4.01Å; L425-L429 PolarHBondContact O-N 2.86Å; L429-A431 VanDerWaalsContact C-N 3.3Å; L429-A431 PolarHBondContact O-N 3.03Å; L429-L432 HydrophobicContact CD1-CD1 4.42Å; L429-L432 WeakPolarHBondContact O-CB 3.25Å; L429-L432 PolarHBondContact O-N 3.44Å; L429-L432 VanDerWaalsContact O-N 3.13Å; L429-F433 WeakPolarHBondContact O-CB 3.3Å; L429-F433 PolarHBondContact O-N 3.27Å
430	G	97.9	Very high	94.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-35.4	176.2	0	0	0	0	0	113.1	G426 A428 F433 V434	G426-G430 VanDerWaalsContact O-CA 3.3Å; G426-G430 WeakPolarHBondContact O-CA 3.4Å; G426-G430 PolarHBondContact O-N 2.95Å; A428-G430 VanDerWaalsContact C-N 3.29Å; A428-G430 PolarHBondContact O-N 3.06Å; G430-F433 PolarHBondContact O-N 2.95Å; G430-V434 WeakPolarHBondContact O-CB 3.16Å; G430-V434 VanDerWaalsContact O-CG2 3.24Å; G430-V434 WeakPolarHBondContact O-CG2 3.46Å; G430-V434 PolarHBondContact O-N 3.28Å
431	A	97.4	Very high	94.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.8	-43.7	173	0	0	0	0	0	111.4	F427 A428 L429 K435 I492 L498	F427-A431 PolarHBondContact O-N 2.88Å; F427-A431 VanDerWaalsContact O-N 3.15Å; A428-A431 WeakPolarHBondContact O-CB 3.48Å; A428-A431 PolarHBondContact O-N 2.84Å; L429-A431 VanDerWaalsContact C-N 3.3Å; L429-A431 PolarHBondContact O-N 3.03Å; A431-K435 WeakPolarHBondContact O-CB 3.3Å; A431-K435 WeakPolarHBondContact O-CD 3.49Å; A431-K435 WeakPolarHBondContact O-CG 3.44Å; A431-K435 PolarHBondContact O-N 3.2Å; A431-I492 HydrophobicContact CB-CB 4.19Å; A431-I492 HydrophobicContact CB-CD1 4.48Å; A431-I492 HydrophobicContact CB-CG1 4.27Å; A431-I492 WeakPolarHBondContact CB-O 3.36Å; A431-L498 HydrophobicContact CB-CD2 3.94Å
432	L	97.3	Very high	93.6	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-46.7	174.4	-62.1	173.2	0	0	0	111.6	L145 M151 L154 E158 A428 L429 V434 K435 D436	L145-L432 HydrophobicContact CB-CB 4.47Å; L145-L432 HydrophobicContact CD1-CB 4.05Å; M151-L432 HydrophobicContact CE-CD2 4.09Å; L154-L432 HydrophobicContact CD2-CD2 3.73Å; E158-L432 HydrophobicContact CB-CD1 4.38Å; E158-L432 HydrophobicContact CB-CD2 4.17Å; E158-L432 HydrophobicContact CB-CG 4.37Å; E158-L432 HydrophobicContact CG-CD1 4.4Å; E158-L432 HydrophobicContact CG-CD2 3.86Å; E158-L432 HydrophobicContact CG-CG 3.91Å; E158-L432 WeakPolarHBondContact OE1-CD2 3.44Å; A428-L432 PolarHBondContact O-N 3.44Å; L429-L432 HydrophobicContact CD1-CD1 4.42Å; L429-L432 WeakPolarHBondContact O-CB 3.25Å; L429-L432 PolarHBondContact O-N 3.44Å; L429-L432 VanDerWaalsContact O-N 3.13Å; L432-V434 PolarHBondContact O-N 2.94Å; L432-K435 PolarHBondContact O-N 2.76Å; L432-D436 PolarHBondContact O-N 3.28Å
433	F	97.6	Very high	93.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-48.3	-177.3	179.5	-94.2	0	0	0	112	N138 V141 M142 L429 G430 D436 T437 P545 A562	N138-F433 HydrophobicContact CB-CE2 3.91Å; N138-F433 HydrophobicContact CB-CZ 4.22Å; V141-F433 HydrophobicContact CB-CD2 4.46Å; V141-F433 HydrophobicContact CB-CE2 4.28Å; V141-F433 HydrophobicContact CG1-CD2 4Å; V141-F433 HydrophobicContact CG1-CE2 4.15Å; M142-F433 HydrophobicContact CG-CD2 4.05Å; L429-F433 WeakPolarHBondContact O-CB 3.3Å; L429-F433 PolarHBondContact O-N 3.27Å; G430-F433 PolarHBondContact O-N 2.95Å; F433-D436 PolarHBondContact O-N 3.46Å; F433-T437 WeakPolarHBondContact CD1-OG1 3.47Å; F433-T437 HydrophobicContact CD2-CG2 4.27Å; F433-T437 VanDerWaalsContact CE1-OG1 3.28Å; F433-T437 WeakPolarHBondContact CE1-OG1 3.47Å; F433-T437 HydrophobicContact CE2-CG2 3.97Å; F433-T437 HydrophobicContact CZ-CG2 4.09Å; F433-T437 WeakPolarHBondContact O-CB 3.37Å; F433-T437 PolarHBondContact O-N 3.24Å; F433-T437 PolarHBondContact O-OG1 3.04Å; F433-P545 HydrophobicContact CB-CB 4.41Å; F433-P545 HydrophobicContact CD1-CB 3.99Å; F433-P545 HydrophobicContact CD2-CB 3.94Å; F433-P545 HydrophobicContact CE1-CB 4.24Å; F433-P545 HydrophobicContact CE2-CB 4.19Å; F433-P545 HydrophobicContact CG-CB 3.84Å; F433-P545 HydrophobicContact CZ-CB 4.34Å; F433-A562 HydrophobicContact CE1-CB 4.4Å
434	V	96.1	Very high	93	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.024	19%	0.189	C	C	.	.	H	α-helix	trans	-68.8	-40	-177.4	171.5	0	0	0	0	111.3	G430 L432 D436 T437 F438 Y488 M493 P544 A562	G430-V434 WeakPolarHBondContact O-CB 3.16Å; G430-V434 VanDerWaalsContact O-CG2 3.24Å; G430-V434 WeakPolarHBondContact O-CG2 3.46Å; G430-V434 PolarHBondContact O-N 3.28Å; L432-V434 PolarHBondContact O-N 2.94Å; V434-D436 PolarHBondContact O-N 3.28Å; V434-T437 PolarHBondContact O-N 2.86Å; V434-F438 HydrophobicContact CB-CB 4.33Å; V434-F438 HydrophobicContact CG1-CB 3.78Å; V434-F438 HydrophobicContact CG1-CD1 4.15Å; V434-F438 HydrophobicContact CG1-CG 4.31Å; V434-F438 WeakPolarHBondContact O-CB 3.21Å; V434-F438 PolarHBondContact O-N 2.83Å; V434-Y488 HydrophobicContact CB-CD1 4.28Å; V434-Y488 HydrophobicContact CG1-CD1 3.3Å; V434-Y488 HydrophobicContact CG1-CE1 3.38Å; V434-Y488 HydrophobicContact CG1-CG 3.96Å; V434-Y488 HydrophobicContact CG2-CD1 4Å; V434-Y488 HydrophobicContact CG2-CG 4.24Å; V434-M493 HydrophobicContact CB-CE 3.47Å; V434-M493 VanDerWaalsContact CB-CE 3.47Å; V434-M493 HydrophobicContact CG1-CE 3.22Å; V434-M493 HydrophobicContact CG2-CE 4.37Å; V434-P544 HydrophobicContact CG2-CB 3.69Å; V434-P544 HydrophobicContact CG2-CG 4.48Å; V434-A562 HydrophobicContact CG2-CB 3.98Å
435	K	93.8	Very high	92.8	Very high	125 Å²	125	36.3 Å²	36.3	54%	0.543	20%	0.196	S	C	.	.	H	α-helix	trans	-57.2	-29.9	174.1	-74.2	168.1	-172.3	171.7	0	112.7	E158 A431 L432 M493	E158-K435 IonicContact OE1-NZ 3.19Å; E158-K435 PolarHBondContact OE1-NZ 3.27Å; E158-K435 IonicContact OE2-NZ 2.72Å; A431-K435 WeakPolarHBondContact O-CB 3.3Å; A431-K435 WeakPolarHBondContact O-CD 3.49Å; A431-K435 WeakPolarHBondContact O-CG 3.44Å; A431-K435 PolarHBondContact O-N 3.2Å; L432-K435 PolarHBondContact O-N 2.76Å; K435-M493 HydrophobicContact CG-SD 4.3Å
436	D	93.3	Very high	92.6	Very high	77 Å²	77	36.3 Å²	36.3	41%	0.412	20%	0.196	S	C	.	.	H	α-helix	trans	-90.3	-38.9	-177.2	-172.9	100.3	0	0	0	113.4	R144 L145 L432 F433 V434	R144-D436 IonicContact CZ-OD1 3.68Å; R144-D436 IonicContact CZ-OD2 3.69Å; R144-D436 IonicContact NH2-OD1 3.92Å; R144-D436 PolarHBondContact NH2-OD1 2.68Å; R144-D436 IonicContact NH2-OD2 2.71Å; R144-D436 PolarHBondContact NH2-OD2 3.11Å; L145-D436 HydrophobicContact CD1-CB 4.32Å; L145-D436 HydrophobicContact CD2-CB 4.19Å; L432-D436 PolarHBondContact O-N 3.28Å; F433-D436 PolarHBondContact O-N 3.46Å; V434-D436 PolarHBondContact O-N 3.28Å
437	T	90.8	Very high	92.4	Very high	48 Å²	48	40.3 Å²	40.3	29%	0.294	21%	0.213	S	C	.	.	H	α-helix	trans	-111.2	-24.4	-165.4	59	0	0	0	0	114.9	V141 F433 V434	V141-T437 HydrophobicContact CG1-CG2 3.68Å; V141-T437 HydrophobicContact CG2-CG2 4.35Å; F433-T437 WeakPolarHBondContact CD1-OG1 3.47Å; F433-T437 HydrophobicContact CD2-CG2 4.27Å; F433-T437 VanDerWaalsContact CE1-OG1 3.28Å; F433-T437 WeakPolarHBondContact CE1-OG1 3.47Å; F433-T437 HydrophobicContact CE2-CG2 3.97Å; F433-T437 HydrophobicContact CZ-CG2 4.09Å; F433-T437 WeakPolarHBondContact O-CB 3.37Å; F433-T437 PolarHBondContact O-N 3.24Å; F433-T437 PolarHBondContact O-OG1 3.04Å; V434-T437 PolarHBondContact O-N 2.86Å
438	F	87.6	Confident	92.3	Very high	24 Å²	24	42.8 Å²	42.8	11%	0.105	23%	0.226	C	C	.	.			trans	-111.3	108.7	-162.5	-165.5	-102.5	0	0	0	111.6	V434 K443 Y488 A562 L565	V434-F438 HydrophobicContact CB-CB 4.33Å; V434-F438 HydrophobicContact CG1-CB 3.78Å; V434-F438 HydrophobicContact CG1-CD1 4.15Å; V434-F438 HydrophobicContact CG1-CG 4.31Å; V434-F438 WeakPolarHBondContact O-CB 3.21Å; V434-F438 PolarHBondContact O-N 2.83Å; F438-K443 HydrophobicContact CE1-CB 3.97Å; F438-K443 HydrophobicContact CZ-CB 4.26Å; F438-Y488 HydrophobicContact CD1-CD1 4.11Å; F438-Y488 AromaticContact CD1-CE1 3.76Å; F438-Y488 HydrophobicContact CD1-CE1 3.76Å; F438-Y488 HydrophobicContact CE1-CD1 4.26Å; F438-Y488 AromaticContact CE1-CE1 3.95Å; F438-Y488 HydrophobicContact CE1-CE1 3.95Å; F438-A562 HydrophobicContact CB-CB 4.35Å; F438-A562 HydrophobicContact CD2-CB 3.58Å; F438-A562 HydrophobicContact CE2-CB 3.98Å; F438-A562 HydrophobicContact CG-CB 3.95Å; F438-L565 HydrophobicContact CE2-CB 3.96Å; F438-L565 HydrophobicContact CE2-CD1 3.64Å; F438-L565 HydrophobicContact CE2-CG 4.45Å; F438-L565 HydrophobicContact CZ-CD1 3.8Å
439	A	84.3	Confident	92.3	Very high	44 Å²	44	43 Å²	43	36%	0.364	23%	0.226	S	C	.	.			trans	-75	137.2	177	0	0	0	0	0	111.3	D441 S442	A439-D441 WeakPolarHBondContact CB-OD1 3.42Å; A439-D441 PolarHBondContact O-N 3.32Å; A439-S442 WeakPolarHBondContact O-CB 3.33Å; A439-S442 PolarHBondContact O-N 3.41Å
440	E	77.5	Confident	92.2	Very high	162 Å²	162	43.1 Å²	43.1	76%	0.757	23%	0.227	S	C	*	.	H	α-helix	trans	-59.3	-32.8	-176.9	-69.6	-172.9	163.5	0	0	113.1	S442 K443	E440-S442 VanDerWaalsContact C-N 3.26Å; E440-S442 PolarHBondContact O-N 3.44Å; E440-K443 WeakPolarHBondContact O-CB 3.21Å; E440-K443 PolarHBondContact O-N 3.19Å
441	D	85.4	Confident	92.2	Very high	64 Å²	64	46.1 Å²	46.1	34%	0.342	25%	0.252	S	S	.	.	H	α-helix	trans	-64	-29.4	176.9	66.8	-18.7	0	0	0	113	A439 K443 A444 I445 R572	A439-D441 WeakPolarHBondContact CB-OD1 3.42Å; A439-D441 PolarHBondContact O-N 3.32Å; D441-K443 VanDerWaalsContact C-N 3.27Å; D441-K443 PolarHBondContact O-N 3.38Å; D441-A444 PolarHBondContact O-N 2.9Å; D441-I445 WeakPolarHBondContact O-CG1 3.46Å; D441-I445 PolarHBondContact O-N 3.29Å; D441-R572 IonicContact OD1-NH1 3.52Å; D441-R572 IonicContact OD2-CZ 2.78Å; D441-R572 IonicContact OD2-NH1 3.88Å; D441-R572 PolarHBondContact OD2-NH1 3.07Å
442	S	87.5	Confident	92.2	Very high	16 Å²	16	48.1 Å²	48.1	11%	0.112	26%	0.261	C	S	.	.	H	α-helix	trans	-67.9	-29.2	179.5	-62.7	0	0	0	0	112.1	A439 E440 A446	A439-S442 WeakPolarHBondContact O-CB 3.33Å; A439-S442 PolarHBondContact O-N 3.41Å; E440-S442 VanDerWaalsContact C-N 3.26Å; E440-S442 PolarHBondContact O-N 3.44Å; S442-A446 WeakPolarHBondContact O-CB 3.42Å; S442-A446 PolarHBondContact O-N 3.09Å; S442-A446 VanDerWaalsContact O-N 3.11Å
443	K	89.8	Confident	92.2	Very high	47 Å²	47	48 Å²	48	20%	0.204	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-50.7	173.1	-169.8	176.2	174.1	-179.4	0	111	F438 E440 D441 I445 A446 E447 V486	F438-K443 HydrophobicContact CE1-CB 3.97Å; F438-K443 HydrophobicContact CZ-CB 4.26Å; E440-K443 WeakPolarHBondContact O-CB 3.21Å; E440-K443 PolarHBondContact O-N 3.19Å; D441-K443 VanDerWaalsContact C-N 3.27Å; D441-K443 PolarHBondContact O-N 3.38Å; K443-I445 VanDerWaalsContact C-N 3.34Å; K443-I445 PolarHBondContact O-N 3.45Å; K443-A446 PolarHBondContact O-N 2.72Å; K443-E447 WeakPolarHBondContact CE-OE1 3.29Å; K443-E447 HydrophobicContact CG-CG 4.49Å; K443-E447 WeakPolarHBondContact O-CG 3.35Å; K443-E447 PolarHBondContact O-N 2.7Å; K443-V486 HydrophobicContact CG-CB 4.4Å; K443-V486 HydrophobicContact CG-CG1 4.25Å
444	A	91.5	Very high	92.2	Very high	59 Å²	59	49.3 Å²	49.3	49%	0.488	27%	0.266	S	S	.	.	H	α-helix	trans	-62.4	-40.9	-177.5	0	0	0	0	0	112.2	D441 E447 E448	D441-A444 PolarHBondContact O-N 2.9Å; A444-E447 PolarHBondContact O-N 3.23Å; A444-E448 PolarHBondContact O-N 3.3Å
445	I	92.1	Very high	92.3	Very high	39 Å²	39	50.4 Å²	50.4	20%	0.2	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-43.7	176.9	-64.1	166.5	0	0	0	110.9	D441 K443 E448 M449 Y570 R572	D441-I445 WeakPolarHBondContact O-CG1 3.46Å; D441-I445 PolarHBondContact O-N 3.29Å; K443-I445 VanDerWaalsContact C-N 3.34Å; K443-I445 PolarHBondContact O-N 3.45Å; I445-E448 PolarHBondContact O-N 3.13Å; I445-M449 WeakPolarHBondContact O-CG 3.31Å; I445-M449 PolarHBondContact O-N 2.99Å; I445-Y570 WeakPolarHBondContact CB-OH 3.33Å; I445-Y570 HydrophobicContact CG2-CE2 3.94Å; I445-Y570 WeakPolarHBondContact CG2-OH 3.41Å; I445-R572 HydrophobicContact CD1-CB 4.17Å
446	A	93.3	Very high	92.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.6	-39.2	178	0	0	0	0	0	111.8	S442 K443 M449 V450 V486 L565 M587	S442-A446 WeakPolarHBondContact O-CB 3.42Å; S442-A446 PolarHBondContact O-N 3.09Å; S442-A446 VanDerWaalsContact O-N 3.11Å; K443-A446 PolarHBondContact O-N 2.72Å; A446-M449 PolarHBondContact O-N 2.74Å; A446-V450 WeakPolarHBondContact O-CG2 3.5Å; A446-V450 PolarHBondContact O-N 3.09Å; A446-V486 HydrophobicContact CB-CG1 3.66Å; A446-L565 HydrophobicContact CB-CD1 4.4Å; A446-L565 HydrophobicContact CB-CD2 4.15Å; A446-M587 HydrophobicContact CB-CE 3.92Å; A446-M587 WeakPolarHBondContact O-CE 3.47Å
447	E	94.3	Very high	92.7	Very high	88 Å²	88	40.9 Å²	40.9	41%	0.411	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-40.4	173.9	-73.5	172.9	166.4	0	0	112.4	K443 A444 V450 A451 V486	K443-E447 WeakPolarHBondContact CE-OE1 3.29Å; K443-E447 HydrophobicContact CG-CG 4.49Å; K443-E447 WeakPolarHBondContact O-CG 3.35Å; K443-E447 PolarHBondContact O-N 2.7Å; A444-E447 PolarHBondContact O-N 3.23Å; E447-V450 PolarHBondContact O-N 3.46Å; E447-A451 PolarHBondContact O-N 2.87Å; E447-A451 VanDerWaalsContact O-N 3.09Å; E447-V486 HydrophobicContact CG-CB 4.19Å; E447-V486 HydrophobicContact CG-CG2 3.91Å
448	E	95.2	Very high	93	Very high	98 Å²	98	40 Å²	40	46%	0.458	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-46.2	173.5	-175.4	178.6	-164.2	0	0	111.3	A444 I445 V450 A451 E452	A444-E448 PolarHBondContact O-N 3.3Å; I445-E448 PolarHBondContact O-N 3.13Å; E448-V450 VanDerWaalsContact C-N 3.35Å; E448-V450 PolarHBondContact O-N 2.68Å; E448-A451 WeakPolarHBondContact O-CB 3.35Å; E448-A451 PolarHBondContact O-N 3.26Å; E448-A451 VanDerWaalsContact O-N 3.13Å; E448-E452 WeakPolarHBondContact O-CG 3.23Å; E448-E452 PolarHBondContact O-N 2.98Å
449	M	96.7	Very high	93.4	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-42	177.6	-72.6	-176.5	65	0	0	112.3	I445 A446 A451 E452 I453 Y570 N579 F580 I583 M587	I445-M449 WeakPolarHBondContact O-CG 3.31Å; I445-M449 PolarHBondContact O-N 2.99Å; A446-M449 PolarHBondContact O-N 2.74Å; M449-A451 VanDerWaalsContact C-N 3.29Å; M449-A451 PolarHBondContact O-N 2.98Å; M449-E452 PolarHBondContact O-N 3.05Å; M449-I453 WeakPolarHBondContact O-CB 3.49Å; M449-I453 WeakPolarHBondContact O-CD1 3.47Å; M449-I453 VanDerWaalsContact O-CG1 3.23Å; M449-I453 WeakPolarHBondContact O-CG1 3.38Å; M449-I453 PolarHBondContact O-N 2.9Å; M449-Y570 HydrophobicContact SD-CE2 4.46Å; M449-N579 HydrophobicContact CE-CB 3.96Å; M449-N579 HydrophobicContact SD-CB 4.3Å; M449-F580 HydrophobicContact CE-CD1 4.18Å; M449-F580 HydrophobicContact CE-CE1 4.37Å; M449-F580 HydrophobicContact CE-CG 4.34Å; M449-I583 HydrophobicContact CE-CG2 3.78Å; M449-I583 HydrophobicContact SD-CG2 4.3Å; M449-M587 HydrophobicContact CB-CE 4.18Å; M449-M587 HydrophobicContact CB-SD 3.81Å
450	V	96.8	Very high	93.8	Very high	4 Å²	4	40 Å²	40	2%	0.024	22%	0.221	C	C	.	.	H	α-helix	trans	-58.4	-43.9	174.6	171.3	0	0	0	0	110.7	A446 E447 E448 I453 K454 N484 M558 L560 M587	A446-V450 WeakPolarHBondContact O-CG2 3.5Å; A446-V450 PolarHBondContact O-N 3.09Å; E447-V450 PolarHBondContact O-N 3.46Å; E448-V450 VanDerWaalsContact C-N 3.35Å; E448-V450 PolarHBondContact O-N 2.68Å; V450-I453 PolarHBondContact O-N 3.26Å; V450-K454 WeakPolarHBondContact O-CB 3.42Å; V450-K454 PolarHBondContact O-N 3.36Å; V450-N484 HydrophobicContact CG1-CB 4.15Å; V450-N484 VanDerWaalsContact CG1-CG 3.49Å; V450-N484 VanDerWaalsContact CG1-ND2 3.31Å; V450-N484 WeakPolarHBondContact CG1-ND2 3.47Å; V450-M558 HydrophobicContact CG1-SD 4.05Å; V450-L560 HydrophobicContact CG2-CD1 4.13Å; V450-M587 HydrophobicContact CG2-CB 4.41Å; V450-M587 HydrophobicContact CG2-CE 3.82Å; V450-M587 HydrophobicContact CG2-CG 3.83Å; V450-M587 HydrophobicContact CG2-SD 3.67Å
451	A	97.2	Very high	94.6	Very high	62 Å²	62	32.5 Å²	32.5	51%	0.512	19%	0.187	S	C	.	.	H	α-helix	trans	-64	-41.4	177.7	0	0	0	0	0	112.4	E447 E448 M449 G455	E447-A451 PolarHBondContact O-N 2.87Å; E447-A451 VanDerWaalsContact O-N 3.09Å; E448-A451 WeakPolarHBondContact O-CB 3.35Å; E448-A451 PolarHBondContact O-N 3.26Å; E448-A451 VanDerWaalsContact O-N 3.13Å; M449-A451 VanDerWaalsContact C-N 3.29Å; M449-A451 PolarHBondContact O-N 2.98Å; A451-G455 PolarHBondContact O-N 2.85Å
452	E	97.9	Very high	95	Very high	42 Å²	42	36.1 Å²	36.1	20%	0.196	20%	0.199	C	C	.	.	H	α-helix	trans	-65.1	-39.4	177.4	-70.6	-173.5	148.4	0	0	112.2	E448 M449 G455 A456 F580	E448-E452 WeakPolarHBondContact O-CG 3.23Å; E448-E452 PolarHBondContact O-N 2.98Å; M449-E452 PolarHBondContact O-N 3.05Å; E452-G455 PolarHBondContact O-N 3.34Å; E452-A456 WeakPolarHBondContact O-CB 3.26Å; E452-A456 PolarHBondContact O-N 3.03Å; E452-F580 VanDerWaalsContact OE2-CZ 3.29Å; E452-F580 WeakPolarHBondContact OE2-CZ 3.36Å
453	I	98.3	Very high	95.1	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-70.6	-43.7	178.8	-67.4	160.8	0	0	0	111.3	M449 V450 G455 A456 F457 F580 G584 M587 A659 A663	M449-I453 WeakPolarHBondContact O-CB 3.49Å; M449-I453 WeakPolarHBondContact O-CD1 3.47Å; M449-I453 VanDerWaalsContact O-CG1 3.23Å; M449-I453 WeakPolarHBondContact O-CG1 3.38Å; M449-I453 PolarHBondContact O-N 2.9Å; V450-I453 PolarHBondContact O-N 3.26Å; I453-G455 VanDerWaalsContact C-N 3.33Å; I453-G455 PolarHBondContact O-N 3.36Å; I453-A456 WeakPolarHBondContact O-CB 3.49Å; I453-A456 PolarHBondContact O-N 3.25Å; I453-F457 PolarHBondContact O-N 3.12Å; I453-F580 HydrophobicContact CG1-CD1 4.43Å; I453-F580 HydrophobicContact CG1-CE1 4.22Å; I453-G584 VanDerWaalsContact CD1-CA 3.49Å; I453-G584 WeakPolarHBondContact CD1-O 3.33Å; I453-M587 HydrophobicContact CD1-CB 3.64Å; I453-M587 HydrophobicContact CD1-CG 4.34Å; I453-M587 HydrophobicContact CD1-SD 3.77Å; I453-A659 HydrophobicContact CG2-CB 4.15Å; I453-A663 HydrophobicContact CG1-CB 3.88Å
454	K	98	Very high	95.3	Very high	29 Å²	29	38.9 Å²	38.9	13%	0.126	22%	0.215	C	C	.	.	H	α-helix	trans	-57.6	-46.6	172.6	176.4	175.9	170.1	165.8	0	111.3	V450 A456 F457 E458 A479 D480 L591	V450-K454 WeakPolarHBondContact O-CB 3.42Å; V450-K454 PolarHBondContact O-N 3.36Å; K454-A456 VanDerWaalsContact C-N 3.31Å; K454-A456 PolarHBondContact O-N 3.13Å; K454-F457 PolarHBondContact O-N 2.61Å; K454-E458 WeakPolarHBondContact CE-OE1 3.19Å; K454-E458 WeakPolarHBondContact CG-OE1 3.39Å; K454-E458 WeakPolarHBondContact O-CG 3.36Å; K454-E458 PolarHBondContact O-N 2.83Å; K454-A479 WeakPolarHBondContact CE-O 3.44Å; K454-A479 PolarHBondContact NZ-O 3.49Å; K454-D480 VanDerWaalsContact NZ-CA 3.28Å; K454-D480 PolarHBondContact NZ-O 3.09Å; K454-L591 HydrophobicContact CB-CD1 4.17Å; K454-L591 HydrophobicContact CG-CD1 4.27Å
455	G	97.5	Very high	95.4	Very high	27 Å²	27	43.5 Å²	43.5	28%	0.278	23%	0.232	S	C	.	.	H	α-helix	trans	-59.6	-40.7	175.7	0	0	0	0	0	112.7	A451 E452 I453 E458 D459	A451-G455 PolarHBondContact O-N 2.85Å; E452-G455 PolarHBondContact O-N 3.34Å; I453-G455 VanDerWaalsContact C-N 3.33Å; I453-G455 PolarHBondContact O-N 3.36Å; G455-E458 PolarHBondContact O-N 3.08Å; G455-D459 WeakPolarHBondContact O-CB 3.39Å; G455-D459 PolarHBondContact O-N 3.47Å
456	A	97.9	Very high	95.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-39.8	176.9	0	0	0	0	0	113.3	E452 I453 K454 S460 A659 K662 A663	E452-A456 WeakPolarHBondContact O-CB 3.26Å; E452-A456 PolarHBondContact O-N 3.03Å; I453-A456 WeakPolarHBondContact O-CB 3.49Å; I453-A456 PolarHBondContact O-N 3.25Å; K454-A456 VanDerWaalsContact C-N 3.31Å; K454-A456 PolarHBondContact O-N 3.13Å; A456-S460 PolarHBondContact O-N 2.88Å; A456-S460 VanDerWaalsContact O-N 3.08Å; A456-A659 WeakPolarHBondContact CB-O 3.44Å; A456-K662 HydrophobicContact CB-CB 4.05Å; A456-K662 HydrophobicContact CB-CD 4.37Å; A456-K662 HydrophobicContact CB-CG 3.97Å; A456-K662 WeakPolarHBondContact O-CD 3.34Å; A456-A663 HydrophobicContact CB-CB 3.81Å
457	F	97.6	Very high	95.6	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-48.2	173.5	177.6	-89.8	0	0	0	111.7	I453 K454 D459 S460 L461 A479 L591 F595 A659 W752	I453-F457 PolarHBondContact O-N 3.12Å; K454-F457 PolarHBondContact O-N 2.61Å; F457-D459 PolarHBondContact O-N 3.08Å; F457-S460 WeakPolarHBondContact O-CA 3.48Å; F457-S460 WeakPolarHBondContact O-CB 3.47Å; F457-S460 PolarHBondContact O-N 2.82Å; F457-S460 PolarHBondContact O-OG 2.89Å; F457-L461 HydrophobicContact CE1-CD1 4.34Å; F457-L461 HydrophobicContact CE1-CD2 4.12Å; F457-L461 HydrophobicContact CE1-CG 4.38Å; F457-L461 HydrophobicContact CZ-CD2 4.29Å; F457-L461 PolarHBondContact O-N 2.82Å; F457-A479 HydrophobicContact CD1-CB 4.35Å; F457-A479 HydrophobicContact CE1-CB 4.34Å; F457-L591 HydrophobicContact CB-CD2 3.28Å; F457-L591 HydrophobicContact CD1-CD2 3.82Å; F457-L591 HydrophobicContact CD2-CD2 3.73Å; F457-L591 HydrophobicContact CE2-CD2 4.5Å; F457-L591 HydrophobicContact CG-CD2 3.33Å; F457-L591 HydrophobicContact CG-CG 4.49Å; F457-F595 HydrophobicContact CD1-CE2 4.46Å; F457-F595 AromaticContact CE1-CD2 3.82Å; F457-F595 HydrophobicContact CE1-CD2 3.82Å; F457-F595 AromaticContact CE1-CE2 3.45Å; F457-F595 HydrophobicContact CE1-CE2 3.45Å; F457-F595 VanDerWaalsContact CE1-CE2 3.45Å; F457-F595 AromaticContact CE1-CZ 3.96Å; F457-F595 HydrophobicContact CE1-CZ 3.96Å; F457-F595 HydrophobicContact CE2-CD2 4.26Å; F457-F595 AromaticContact CZ-CD2 3.38Å; F457-F595 HydrophobicContact CZ-CD2 3.38Å; F457-F595 AromaticContact CZ-CE2 3.56Å; F457-F595 HydrophobicContact CZ-CE2 3.56Å; F457-F595 HydrophobicContact CZ-CG 4.01Å; F457-F595 HydrophobicContact CZ-CZ 4.31Å; F457-A659 HydrophobicContact CB-CB 4.26Å; F457-W752 HydrophobicContact CE2-CB 3.89Å; F457-W752 HydrophobicContact CE2-CD2 4.32Å; F457-W752 HydrophobicContact CE2-CE3 4.38Å; F457-W752 HydrophobicContact CE2-CG 4.09Å; F457-W752 HydrophobicContact CZ-CD2 4.32Å; F457-W752 HydrophobicContact CZ-CE3 4.08Å
458	E	96.9	Very high	95.8	Very high	30 Å²	30	41.6 Å²	41.6	14%	0.14	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-37.6	177.1	-71.6	174.4	-164.6	0	0	112.1	K454 G455 S460 L461 K476 A479	K454-E458 WeakPolarHBondContact CE-OE1 3.19Å; K454-E458 WeakPolarHBondContact CG-OE1 3.39Å; K454-E458 WeakPolarHBondContact O-CG 3.36Å; K454-E458 PolarHBondContact O-N 2.83Å; G455-E458 PolarHBondContact O-N 3.08Å; E458-S460 VanDerWaalsContact C-N 3.3Å; E458-S460 PolarHBondContact O-N 3.32Å; E458-L461 WeakPolarHBondContact O-CB 3.38Å; E458-L461 PolarHBondContact O-N 3.14Å; E458-K476 HydrophobicContact CG-CG 4.44Å; E458-K476 IonicContact OE1-NZ 3.9Å; E458-K476 IonicContact OE2-NZ 2.81Å; E458-K476 PolarHBondContact OE2-NZ 3.32Å; E458-A479 HydrophobicContact CG-CB 4.05Å
459	D	95.3	Very high	95.8	Very high	60 Å²	60	41.1 Å²	41.1	32%	0.321	23%	0.229	S	C	.	.	H	α-helix	trans	-67.5	-27	173	-83.5	-23.9	0	0	0	112.9	G455 F457 K462 K662	G455-D459 WeakPolarHBondContact O-CB 3.39Å; G455-D459 PolarHBondContact O-N 3.47Å; F457-D459 PolarHBondContact O-N 3.08Å; D459-K462 IonicContact OD1-NZ 3.43Å; D459-K462 PolarHBondContact OD1-NZ 3.4Å; D459-K662 PolarHBondContact O-NZ 3.22Å; D459-K662 VanDerWaalsContact O-NZ 3.08Å
460	S	94.2	Very high	95.8	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-72.8	-29.6	177.6	77.8	0	0	0	0	112	A456 F457 E458 K462 D463 V464 K662 W752	A456-S460 PolarHBondContact O-N 2.88Å; A456-S460 VanDerWaalsContact O-N 3.08Å; F457-S460 WeakPolarHBondContact O-CA 3.48Å; F457-S460 WeakPolarHBondContact O-CB 3.47Å; F457-S460 PolarHBondContact O-N 2.82Å; F457-S460 PolarHBondContact O-OG 2.89Å; E458-S460 VanDerWaalsContact C-N 3.3Å; E458-S460 PolarHBondContact O-N 3.32Å; S460-K462 PolarHBondContact O-N 2.83Å; S460-D463 PolarHBondContact O-N 3.39Å; S460-V464 PolarHBondContact O-N 3.08Å; S460-K662 VanDerWaalsContact CA-NZ 3.35Å; S460-W752 WeakPolarHBondContact CB-OXT 3.22Å; S460-W752 PolarHBondContact OG-OXT 3.34Å
461	L	94.3	Very high	95.9	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.031	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.9	177.7	-60.7	178.1	0	0	0	113.2	F457 E458 D463 V464 M467 K472 A475 K476 W752	F457-L461 HydrophobicContact CE1-CD1 4.34Å; F457-L461 HydrophobicContact CE1-CD2 4.12Å; F457-L461 HydrophobicContact CE1-CG 4.38Å; F457-L461 HydrophobicContact CZ-CD2 4.29Å; F457-L461 PolarHBondContact O-N 2.82Å; E458-L461 WeakPolarHBondContact O-CB 3.38Å; E458-L461 PolarHBondContact O-N 3.14Å; L461-D463 VanDerWaalsContact C-N 3.29Å; L461-D463 PolarHBondContact O-N 3.41Å; L461-V464 PolarHBondContact O-N 2.92Å; L461-M467 HydrophobicContact CD2-CE 4.08Å; L461-K472 VanDerWaalsContact O-CD 3.32Å; L461-K472 WeakPolarHBondContact O-CD 3.34Å; L461-K472 WeakPolarHBondContact O-CE 3.33Å; L461-K472 PolarHBondContact O-NZ 2.91Å; L461-A475 HydrophobicContact CD1-CB 4.17Å; L461-A475 HydrophobicContact CD2-CB 4.46Å; L461-K476 HydrophobicContact CD1-CB 3.97Å; L461-W752 HydrophobicContact CD2-CE3 4.14Å; L461-W752 HydrophobicContact CD2-CZ3 4.15Å
462	K	91.9	Very high	95.9	Very high	140 Å²	140	44.5 Å²	44.5	61%	0.609	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-41.2	175.3	-66	169	-176.3	161.1	0	111.3	D459 S460 K472	D459-K462 IonicContact OD1-NZ 3.43Å; D459-K462 PolarHBondContact OD1-NZ 3.4Å; S460-K462 PolarHBondContact O-N 2.83Å; K462-K472 PolarHBondContact O-NZ 2.8Å
463	D	90.7	Very high	95.9	Very high	112 Å²	112	48.9 Å²	48.9	60%	0.599	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-8.4	-173.4	-55.2	-43	0	0	0	113.3	S460 L461 N465	S460-D463 PolarHBondContact O-N 3.39Å; L461-D463 VanDerWaalsContact C-N 3.29Å; L461-D463 PolarHBondContact O-N 3.41Å; D463-N465 PolarHBondContact O-N 3.07Å; D463-N465 PolarHBondContact O-ND2 3.45Å
464	V	93.4	Very high	95.8	Very high	8 Å²	8	49.9 Å²	49.9	5%	0.048	26%	0.263	C	S	.	.			trans	-69.8	109	179.3	174.1	0	0	0	0	111	S460 L461 W466 M467 K472	S460-V464 PolarHBondContact O-N 3.08Å; L461-V464 PolarHBondContact O-N 2.92Å; V464-W466 HydrophobicContact CG1-CD2 3.99Å; V464-W466 VanDerWaalsContact CG1-CE2 3.5Å; V464-W466 HydrophobicContact CG1-CG 4Å; V464-W466 HydrophobicContact CG1-CZ2 4.03Å; V464-M467 HydrophobicContact CB-CE 4.27Å; V464-M467 HydrophobicContact CG1-CB 3.92Å; V464-M467 HydrophobicContact CG1-CE 3.83Å; V464-K472 WeakPolarHBondContact O-CE 3.41Å; V464-K472 PolarHBondContact O-NZ 2.97Å
465	N	93.8	Very high	95.8	Very high	157 Å²	157	48.5 Å²	48.5	84%	0.84	26%	0.257	S	S	*	.	S	Bend	trans	-88.5	-15.4	-172.9	-66.1	-47.3	0	0	0	115.2	D463 M467	D463-N465 PolarHBondContact O-N 3.07Å; D463-N465 PolarHBondContact O-ND2 3.45Å; N465-M467 VanDerWaalsContact C-N 3.34Å
466	W	95.6	Very high	95.9	Very high	42 Å²	42	50.9 Å²	50.9	16%	0.159	26%	0.26	C	S	.	.	S	Bend	trans	-83.4	-10.6	-176.8	62.5	-101.3	0	0	0	113.6	V464 W612 A619 F620 Q623 L751 W752	V464-W466 HydrophobicContact CG1-CD2 3.99Å; V464-W466 VanDerWaalsContact CG1-CE2 3.5Å; V464-W466 HydrophobicContact CG1-CG 4Å; V464-W466 HydrophobicContact CG1-CZ2 4.03Å; W466-W612 AromaticContact CH2-CH2 4Å; W466-W612 HydrophobicContact CH2-CH2 4Å; W466-W612 AromaticContact CH2-CZ3 3.96Å; W466-W612 HydrophobicContact CH2-CZ3 3.96Å; W466-W612 HydrophobicContact CZ3-CZ3 4.04Å; W466-A619 HydrophobicContact CB-CB 4.34Å; W466-A619 HydrophobicContact CE3-CB 3.95Å; W466-A619 VanDerWaalsContact O-CB 3.25Å; W466-A619 WeakPolarHBondContact O-CB 3.49Å; W466-F620 HydrophobicContact CE3-CB 4.41Å; W466-F620 HydrophobicContact CH2-CB 4.08Å; W466-F620 AromaticContact CH2-CD2 3.84Å; W466-F620 HydrophobicContact CH2-CD2 3.84Å; W466-F620 HydrophobicContact CH2-CG 4.48Å; W466-F620 HydrophobicContact CZ2-CD2 4.37Å; W466-F620 HydrophobicContact CZ3-CB 3.75Å; W466-F620 HydrophobicContact CZ3-CD2 4.39Å; W466-Q623 HydrophobicContact CB-CG 4.04Å; W466-Q623 HydrophobicContact CD2-CG 4.1Å; W466-Q623 HydrophobicContact CG-CG 3.7Å; W466-L751 HydrophobicContact CH2-CD1 4.38Å; W466-L751 HydrophobicContact CZ2-CD1 3.68Å; W466-L751 HydrophobicContact CZ2-CG 4.31Å; W466-L751 PolarHBondContact NE1-O 2.97Å; W466-W752 AromaticContact CH2-CH2 3.7Å; W466-W752 HydrophobicContact CH2-CH2 3.7Å; W466-W752 HydrophobicContact CH2-CZ2 4.26Å; W466-W752 HydrophobicContact CH2-CZ3 4.1Å; W466-W752 HydrophobicContact CZ2-CE3 4.33Å; W466-W752 AromaticContact CZ2-CH2 3.82Å; W466-W752 HydrophobicContact CZ2-CH2 3.82Å; W466-W752 HydrophobicContact CZ2-CZ2 4.26Å; W466-W752 AromaticContact CZ2-CZ3 3.87Å; W466-W752 HydrophobicContact CZ2-CZ3 3.87Å
467	M	95.3	Very high	95.9	Very high	9 Å²	9	54.8 Å²	54.8	4%	0.044	28%	0.278	C	S	.	.	S	Bend	trans	-113.2	136.4	-173.1	-174.7	172.2	30.8	0	0	111.5	L461 V464 N465 T471 K472 A475 W752	L461-M467 HydrophobicContact CD2-CE 4.08Å; V464-M467 HydrophobicContact CB-CE 4.27Å; V464-M467 HydrophobicContact CG1-CB 3.92Å; V464-M467 HydrophobicContact CG1-CE 3.83Å; N465-M467 VanDerWaalsContact C-N 3.34Å; M467-T471 HydrophobicContact CG-CG2 3.72Å; M467-T471 HydrophobicContact SD-CG2 3.51Å; M467-T471 VanDerWaalsContact SD-CG2 3.51Å; M467-K472 HydrophobicContact CB-CG 4.29Å; M467-K472 HydrophobicContact CE-CG 3.71Å; M467-K472 HydrophobicContact CG-CG 4.01Å; M467-K472 VanDerWaalsContact O-CE 3.32Å; M467-K472 WeakPolarHBondContact O-CE 3.25Å; M467-K472 HydrophobicContact SD-CG 4.18Å; M467-A475 HydrophobicContact SD-CB 4.45Å; M467-W752 HydrophobicContact CE-CZ3 3.93Å
468	D	96.7	Very high	95.9	Very high	36 Å²	36	54.8 Å²	54.8	19%	0.193	28%	0.278	C	S	.	.			trans	-72.2	162.8	177.2	78.4	98.4	0	0	0	113.2	D470 T471 K472 K613 S616	D468-D470 VanDerWaalsContact C-N 3.3Å; D468-D470 PolarHBondContact O-N 2.99Å; D468-D470 WeakPolarHBondContact OD1-CB 3.46Å; D468-D470 PolarHBondContact OD1-N 3.46Å; D468-T471 PolarHBondContact O-N 2.97Å; D468-T471 PolarHBondContact OD1-N 2.96Å; D468-T471 WeakPolarHBondContact OD2-CB 3.44Å; D468-T471 PolarHBondContact OD2-OG1 3.39Å; D468-K472 WeakPolarHBondContact O-CG 3.35Å; D468-K472 PolarHBondContact O-N 3.25Å; D468-K613 WeakPolarHBondContact OD1-CE 3.37Å; D468-K613 IonicContact OD1-NZ 2.71Å; D468-K613 PolarHBondContact OD1-NZ 3.46Å; D468-S616 PolarHBondContact N-OG 2.7Å; D468-S616 PolarHBondContact OD2-OG 2.87Å
469	S	96.3	Very high	96	Very high	87 Å²	87	53.4 Å²	53.4	61%	0.608	27%	0.271	S	S	*	.	H	α-helix	trans	-60.4	-35.1	-174.9	56	0	0	0	0	114.2	K473	S469-K473 PolarHBondContact O-N 3.18Å
470	D	96.9	Very high	96.1	Very high	93 Å²	93	54.1 Å²	54.1	50%	0.497	28%	0.275	S	S	.	.	H	α-helix	trans	-74.5	-41.3	-177.6	-60.4	-24.1	0	0	0	110.1	D468 K473 A474 K613	D468-D470 VanDerWaalsContact C-N 3.3Å; D468-D470 PolarHBondContact O-N 2.99Å; D468-D470 WeakPolarHBondContact OD1-CB 3.46Å; D468-D470 PolarHBondContact OD1-N 3.46Å; D470-K473 PolarHBondContact O-N 2.94Å; D470-A474 PolarHBondContact O-N 2.94Å; D470-K613 VanDerWaalsContact OD2-CE 3.32Å; D470-K613 WeakPolarHBondContact OD2-CE 3.48Å; D470-K613 IonicContact OD2-NZ 2.72Å; D470-K613 PolarHBondContact OD2-NZ 2.93Å
471	T	97.8	Very high	96.3	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-65.8	-38.8	174.9	-52.4	0	0	0	0	111.2	M467 D468 K473 A474 A475 W612	M467-T471 HydrophobicContact CG-CG2 3.72Å; M467-T471 HydrophobicContact SD-CG2 3.51Å; M467-T471 VanDerWaalsContact SD-CG2 3.51Å; D468-T471 PolarHBondContact O-N 2.97Å; D468-T471 PolarHBondContact OD1-N 2.96Å; D468-T471 WeakPolarHBondContact OD2-CB 3.44Å; D468-T471 PolarHBondContact OD2-OG1 3.39Å; T471-K473 VanDerWaalsContact C-N 3.35Å; T471-K473 PolarHBondContact O-N 3.39Å; T471-A474 PolarHBondContact O-N 3.04Å; T471-A475 WeakPolarHBondContact O-CB 3.36Å; T471-A475 PolarHBondContact O-N 3.39Å; T471-W612 HydrophobicContact CG2-CB 3.97Å; T471-W612 HydrophobicContact CG2-CD2 3.51Å; T471-W612 HydrophobicContact CG2-CE3 4.15Å; T471-W612 HydrophobicContact CG2-CG 3.4Å; T471-W612 VanDerWaalsContact CG2-CG 3.4Å
472	K	97.5	Very high	96.4	Very high	45 Å²	45	55.6 Å²	55.6	20%	0.196	29%	0.287	C	S	.	.	H	α-helix	trans	-57.4	-45.8	171.4	-79	177.8	179.3	-166.3	0	112.4	L461 K462 V464 M467 D468 A475 K476	L461-K472 VanDerWaalsContact O-CD 3.32Å; L461-K472 WeakPolarHBondContact O-CD 3.34Å; L461-K472 WeakPolarHBondContact O-CE 3.33Å; L461-K472 PolarHBondContact O-NZ 2.91Å; K462-K472 PolarHBondContact O-NZ 2.8Å; V464-K472 WeakPolarHBondContact O-CE 3.41Å; V464-K472 PolarHBondContact O-NZ 2.97Å; M467-K472 HydrophobicContact CB-CG 4.29Å; M467-K472 HydrophobicContact CE-CG 3.71Å; M467-K472 HydrophobicContact CG-CG 4.01Å; M467-K472 VanDerWaalsContact O-CE 3.32Å; M467-K472 WeakPolarHBondContact O-CE 3.25Å; M467-K472 HydrophobicContact SD-CG 4.18Å; D468-K472 WeakPolarHBondContact O-CG 3.35Å; D468-K472 PolarHBondContact O-N 3.25Å; K472-A475 PolarHBondContact O-N 3.13Å; K472-K476 PolarHBondContact O-N 3.04Å
473	K	97.3	Very high	96.6	Very high	133 Å²	133	53.3 Å²	53.3	58%	0.578	28%	0.275	S	S	*	.	H	α-helix	trans	-62	-47.1	178.1	-174.8	-172.6	176.7	-158.6	0	110.7	S469 D470 T471 A475 K476 E477	S469-K473 PolarHBondContact O-N 3.18Å; D470-K473 PolarHBondContact O-N 2.94Å; T471-K473 VanDerWaalsContact C-N 3.35Å; T471-K473 PolarHBondContact O-N 3.39Å; K473-A475 VanDerWaalsContact C-N 3.33Å; K473-A475 PolarHBondContact O-N 3.41Å; K473-K476 PolarHBondContact O-N 3.08Å; K473-E477 WeakPolarHBondContact CE-OE1 3.34Å; K473-E477 IonicContact NZ-OE1 2.8Å; K473-E477 WeakPolarHBondContact O-CG 3.31Å; K473-E477 PolarHBondContact O-N 3.47Å
474	A	97.9	Very high	96.8	Very high	22 Å²	22	50.4 Å²	50.4	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-37.7	177.9	0	0	0	0	0	112.3	D470 T471 K476 E477 K478 W611	D470-A474 PolarHBondContact O-N 2.94Å; T471-A474 PolarHBondContact O-N 3.04Å; A474-K476 VanDerWaalsContact C-N 3.35Å; A474-E477 PolarHBondContact O-N 3.41Å; A474-K478 PolarHBondContact O-N 3.09Å; A474-W611 HydrophobicContact CB-CE3 3.71Å; A474-W611 HydrophobicContact CB-CZ3 3.86Å
475	A	98.1	Very high	96.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-41.6	176.2	0	0	0	0	0	111.3	L461 M467 T471 K472 K473 K478 A479 F595 W611	L461-A475 HydrophobicContact CD1-CB 4.17Å; L461-A475 HydrophobicContact CD2-CB 4.46Å; M467-A475 HydrophobicContact SD-CB 4.45Å; T471-A475 WeakPolarHBondContact O-CB 3.36Å; T471-A475 PolarHBondContact O-N 3.39Å; K472-A475 PolarHBondContact O-N 3.13Å; K473-A475 VanDerWaalsContact C-N 3.33Å; K473-A475 PolarHBondContact O-N 3.41Å; A475-K478 PolarHBondContact O-N 2.83Å; A475-A479 PolarHBondContact O-N 3.08Å; A475-F595 HydrophobicContact CB-CD1 4.48Å; A475-F595 HydrophobicContact CB-CE1 4.01Å; A475-F595 WeakPolarHBondContact O-CE1 3.44Å; A475-F595 WeakPolarHBondContact O-CZ 3.49Å; A475-W611 HydrophobicContact CB-CZ3 4.47Å
476	K	97.9	Very high	96.9	Very high	77 Å²	77	43.3 Å²	43.3	34%	0.335	22%	0.222	S	C	.	.	H	α-helix	trans	-61.2	-47.4	170.9	172.4	162.4	170.9	43.4	0	111.7	E458 L461 K472 K473 A474 K478 A479 D480	E458-K476 HydrophobicContact CG-CG 4.44Å; E458-K476 IonicContact OE1-NZ 3.9Å; E458-K476 IonicContact OE2-NZ 2.81Å; E458-K476 PolarHBondContact OE2-NZ 3.32Å; L461-K476 HydrophobicContact CD1-CB 3.97Å; K472-K476 PolarHBondContact O-N 3.04Å; K473-K476 PolarHBondContact O-N 3.08Å; A474-K476 VanDerWaalsContact C-N 3.35Å; K476-K478 PolarHBondContact O-N 3Å; K476-A479 PolarHBondContact O-N 2.94Å; K476-A479 VanDerWaalsContact O-N 3.11Å; K476-D480 WeakPolarHBondContact CE-OD2 3.31Å; K476-D480 WeakPolarHBondContact CG-OD2 3.19Å; K476-D480 IonicContact NZ-OD1 2.79Å; K476-D480 PolarHBondContact NZ-OD1 3.04Å; K476-D480 IonicContact NZ-OD2 2.72Å; K476-D480 PolarHBondContact NZ-OD2 2.92Å; K476-D480 WeakPolarHBondContact O-CB 3.39Å; K476-D480 PolarHBondContact O-N 2.87Å
477	E	98.3	Very high	96.8	Very high	84 Å²	84	41.3 Å²	41.3	39%	0.393	21%	0.214	S	C	.	.	H	α-helix	trans	-59.3	-36.1	178.2	-71.9	172.1	-174.3	0	0	112.3	K473 A474 A481	K473-E477 WeakPolarHBondContact CE-OE1 3.34Å; K473-E477 IonicContact NZ-OE1 2.8Å; K473-E477 WeakPolarHBondContact O-CG 3.31Å; K473-E477 PolarHBondContact O-N 3.47Å; A474-E477 PolarHBondContact O-N 3.41Å; E477-A481 WeakPolarHBondContact O-CB 3Å; E477-A481 PolarHBondContact O-N 2.63Å
478	K	98.6	Very high	96.8	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-67.2	-47.1	172.3	178.2	171.3	-171.9	-174.8	0	112.1	A474 A475 K476 D480 A481 I482 N556 A594 F595 G599 Y602 K604 W611	A474-K478 PolarHBondContact O-N 3.09Å; A475-K478 PolarHBondContact O-N 2.83Å; K476-K478 PolarHBondContact O-N 3Å; K478-D480 VanDerWaalsContact C-N 3.31Å; K478-D480 PolarHBondContact O-N 3.21Å; K478-A481 PolarHBondContact O-N 3.43Å; K478-A481 VanDerWaalsContact O-N 3.1Å; K478-I482 PolarHBondContact O-N 3.28Å; K478-N556 PolarHBondContact O-ND2 3.34Å; K478-A594 WeakPolarHBondContact CE-O 3.33Å; K478-A594 PolarHBondContact NZ-O 3.22Å; K478-F595 HydrophobicContact CB-CE1 4.01Å; K478-F595 HydrophobicContact CB-CZ 4.14Å; K478-F595 HydrophobicContact CD-CD1 4.42Å; K478-F595 HydrophobicContact CD-CE1 3.84Å; K478-F595 HydrophobicContact CD-CZ 4.26Å; K478-F595 HydrophobicContact CG-CE1 4Å; K478-F595 HydrophobicContact CG-CZ 4.02Å; K478-G599 PolarHBondContact NZ-O 3.23Å; K478-Y602 WeakPolarHBondContact CE-O 3.41Å; K478-Y602 PolarHBondContact NZ-O 3.5Å; K478-K604 HydrophobicContact CB-CB 4.15Å; K478-K604 HydrophobicContact CG-CB 4.46Å; K478-W611 HydrophobicContact CB-CH2 4.22Å; K478-W611 HydrophobicContact CD-CH2 3.74Å; K478-W611 HydrophobicContact CD-CZ2 3.67Å
479	A	98.1	Very high	96.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-46.2	177.3	0	0	0	0	0	110.6	K454 F457 E458 A475 K476 A481 I482 F595	K454-A479 WeakPolarHBondContact CE-O 3.44Å; K454-A479 PolarHBondContact NZ-O 3.49Å; F457-A479 HydrophobicContact CD1-CB 4.35Å; F457-A479 HydrophobicContact CE1-CB 4.34Å; E458-A479 HydrophobicContact CG-CB 4.05Å; A475-A479 PolarHBondContact O-N 3.08Å; K476-A479 PolarHBondContact O-N 2.94Å; K476-A479 VanDerWaalsContact O-N 3.11Å; A479-A481 PolarHBondContact O-N 2.04Å; A479-I482 WeakPolarHBondContact O-CB 3.19Å; A479-I482 PolarHBondContact O-N 3.5Å; A479-I482 VanDerWaalsContact O-N 3.09Å; A479-F595 HydrophobicContact CB-CE2 4.27Å; A479-F595 HydrophobicContact CB-CZ 3.89Å
480	D	97.7	Very high	96.6	Very high	76 Å²	76	43.9 Å²	43.9	41%	0.406	22%	0.215	S	C	.	.	H	α-helix	trans	-53.4	-38.7	175.2	-79.7	-42.9	0	0	0	111.7	K454 K476 K478	K454-D480 VanDerWaalsContact NZ-CA 3.28Å; K454-D480 PolarHBondContact NZ-O 3.09Å; K476-D480 WeakPolarHBondContact CE-OD2 3.31Å; K476-D480 WeakPolarHBondContact CG-OD2 3.19Å; K476-D480 IonicContact NZ-OD1 2.79Å; K476-D480 PolarHBondContact NZ-OD1 3.04Å; K476-D480 IonicContact NZ-OD2 2.72Å; K476-D480 PolarHBondContact NZ-OD2 2.92Å; K476-D480 WeakPolarHBondContact O-CB 3.39Å; K476-D480 PolarHBondContact O-N 2.87Å; K478-D480 VanDerWaalsContact C-N 3.31Å; K478-D480 PolarHBondContact O-N 3.21Å
481	A	98.1	Very high	96.4	Very high	34 Å²	34	41.6 Å²	41.6	28%	0.281	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-6.9	-178.2	0	0	0	0	0	115.4	E477 K478 A479 Y483 K604	E477-A481 WeakPolarHBondContact O-CB 3Å; E477-A481 PolarHBondContact O-N 2.63Å; K478-A481 PolarHBondContact O-N 3.43Å; K478-A481 VanDerWaalsContact O-N 3.1Å; A479-A481 PolarHBondContact O-N 2.04Å; A481-Y483 PolarHBondContact O-N 3.04Å; A481-K604 HydrophobicContact CB-CB 3.9Å
482	I	97.6	Very high	96.4	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.041	20%	0.2	C	C	.	.			trans	-60.4	126.4	178.3	-64.6	169.1	0	0	0	109.5	K478 A479 N556 M558 L591 A594 F595	K478-I482 PolarHBondContact O-N 3.28Å; A479-I482 WeakPolarHBondContact O-CB 3.19Å; A479-I482 PolarHBondContact O-N 3.5Å; A479-I482 VanDerWaalsContact O-N 3.09Å; I482-N556 WeakPolarHBondContact CA-O 3.49Å; I482-N556 WeakPolarHBondContact CG1-OD1 3.23Å; I482-M558 HydrophobicContact CG2-CE 3.9Å; I482-L591 HydrophobicContact CD1-CD1 3.63Å; I482-L591 HydrophobicContact CD1-CG 4.25Å; I482-A594 HydrophobicContact CD1-CB 3.82Å; I482-A594 HydrophobicContact CG1-CB 4.48Å; I482-F595 HydrophobicContact CD1-CE2 4.35Å
483	Y	95.5	Very high	96.2	Very high	92 Å²	92	42.6 Å²	42.6	36%	0.361	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133.7	175.4	-170.9	-102.4	0	0	0	110.3	A481 M485 R537 N556 E557 M558	A481-Y483 PolarHBondContact O-N 3.04Å; Y483-M485 HydrophobicContact CD1-CG 3.82Å; Y483-M485 HydrophobicContact CD1-SD 4.45Å; Y483-M485 HydrophobicContact CE1-CG 3.53Å; Y483-M485 HydrophobicContact CE1-SD 3.9Å; Y483-R537 HydrophobicContact CD1-CB 4.24Å; Y483-R537 HydrophobicContact CE1-CB 4.18Å; Y483-N556 PolarHBondContact N-O 3.42Å; Y483-E557 HydrophobicContact CD1-CG 4.08Å; Y483-E557 WeakPolarHBondContact CD1-OE1 3.4Å; Y483-E557 CarbonylContact O-C 3.13Å; Y483-E557 WeakPolarHBondContact O-CA 3.5Å; Y483-M558 PolarHBondContact O-N 3.26Å
484	N	93.8	Very high	96.2	Very high	51 Å²	51	39.5 Å²	39.5	27%	0.273	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.4	-174.1	-53.5	-46.2	0	0	0	109.9	V450 M558	V450-N484 HydrophobicContact CG1-CB 4.15Å; V450-N484 VanDerWaalsContact CG1-CG 3.49Å; V450-N484 VanDerWaalsContact CG1-ND2 3.31Å; V450-N484 WeakPolarHBondContact CG1-ND2 3.47Å; N484-M558 HydrophobicContact CB-CG 4.26Å; N484-M558 WeakPolarHBondContact OD1-CE 3.16Å; N484-M558 VanDerWaalsContact OD1-CG 3.24Å; N484-M558 WeakPolarHBondContact OD1-CG 3.33Å; N484-M558 PolarHBondContact OD1-SD 3.01Å
485	M	94.1	Very high	96.1	Very high	11 Å²	11	40.9 Å²	40.9	5%	0.054	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.3	174.9	-61	-156.9	-66.5	0	0	110.7	Y483 R537 W540 E557 M558 V559 L560	Y483-M485 HydrophobicContact CD1-CG 3.82Å; Y483-M485 HydrophobicContact CD1-SD 4.45Å; Y483-M485 HydrophobicContact CE1-CG 3.53Å; Y483-M485 HydrophobicContact CE1-SD 3.9Å; M485-R537 WeakPolarHBondContact CE-O 3.03Å; M485-R537 VanDerWaalsContact SD-O 3.38Å; M485-W540 HydrophobicContact CB-CH2 4.17Å; M485-W540 HydrophobicContact CB-CZ2 3.51Å; M485-W540 HydrophobicContact CE-CD2 4.07Å; M485-W540 HydrophobicContact CE-CG 3.8Å; M485-W540 HydrophobicContact CE-CZ2 4.48Å; M485-W540 HydrophobicContact CG-CZ2 4.45Å; M485-W540 HydrophobicContact SD-CZ2 4.31Å; M485-W540 PolarHBondContact SD-NE1 3.3Å; M485-E557 HydrophobicContact CE-CG 4.03Å; M485-E557 WeakPolarHBondContact CE-OE1 3.32Å; M485-E557 WeakPolarHBondContact CE-OE2 3.28Å; M485-E557 HydrophobicContact CG-CG 4.3Å; M485-E557 WeakPolarHBondContact CG-OE1 3.44Å; M485-M558 PolarHBondContact N-O 3.48Å; M485-V559 HydrophobicContact CB-CB 4.46Å; M485-V559 HydrophobicContact CB-CG1 4.22Å; M485-V559 HydrophobicContact CB-CG2 4.08Å; M485-V559 HydrophobicContact CE-CB 4.45Å; M485-V559 HydrophobicContact CE-CG1 4.31Å; M485-V559 HydrophobicContact CE-CG2 3.34Å; M485-V559 HydrophobicContact CG-CG2 4.49Å; M485-V559 CarbonylContact O-C 2.98Å; M485-V559 WeakPolarHBondContact O-CA 3.49Å; M485-L560 PolarHBondContact O-N 2.95Å
486	V	94.9	Very high	96.1	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.03	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.7	-171	-177.7	0	0	0	0	110.5	K443 A446 E447 Y488 L560 L565	K443-V486 HydrophobicContact CG-CB 4.4Å; K443-V486 HydrophobicContact CG-CG1 4.25Å; A446-V486 HydrophobicContact CB-CG1 3.66Å; E447-V486 HydrophobicContact CG-CB 4.19Å; E447-V486 HydrophobicContact CG-CG2 3.91Å; V486-Y488 PolarHBondContact O-N 3.32Å; V486-L560 HydrophobicContact CG2-CD1 4.29Å; V486-L565 HydrophobicContact CG1-CD1 3.72Å
487	G	95.1	Very high	96	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.3	-72.4	177.5	0	0	0	0	0	113.3	W540 L560 A562	G487-W540 VanDerWaalsContact C-CH2 3.5Å; G487-L560 PolarHBondContact N-O 3.38Å; G487-A562 PolarHBondContact O-N 3.49Å
488	Y	95.4	Very high	95.9	Very high	37 Å²	37	44.4 Å²	44.4	15%	0.145	23%	0.231	C	C	.	.			trans	-159.2	154.8	-171.7	56.2	-87.6	0	0	0	113.4	V434 F438 V486 I492 M493 W540	V434-Y488 HydrophobicContact CB-CD1 4.28Å; V434-Y488 HydrophobicContact CG1-CD1 3.3Å; V434-Y488 HydrophobicContact CG1-CE1 3.38Å; V434-Y488 HydrophobicContact CG1-CG 3.96Å; V434-Y488 HydrophobicContact CG2-CD1 4Å; V434-Y488 HydrophobicContact CG2-CG 4.24Å; F438-Y488 HydrophobicContact CD1-CD1 4.11Å; F438-Y488 AromaticContact CD1-CE1 3.76Å; F438-Y488 HydrophobicContact CD1-CE1 3.76Å; F438-Y488 HydrophobicContact CE1-CD1 4.26Å; F438-Y488 AromaticContact CE1-CE1 3.95Å; F438-Y488 HydrophobicContact CE1-CE1 3.95Å; V486-Y488 PolarHBondContact O-N 3.32Å; Y488-I492 HydrophobicContact CD2-CD1 4.39Å; Y488-I492 HydrophobicContact CD2-CG1 4.33Å; Y488-I492 HydrophobicContact CG-CD1 4.38Å; Y488-M493 HydrophobicContact CD2-CE 3.97Å; Y488-M493 HydrophobicContact CD2-CG 3.9Å; Y488-M493 HydrophobicContact CE2-CE 3.96Å; Y488-M493 HydrophobicContact CE2-CG 3.44Å; Y488-M493 VanDerWaalsContact CE2-CG 3.44Å; Y488-M493 HydrophobicContact CG-CE 4.26Å; Y488-W540 VanDerWaalsContact CA-CH2 3.45Å; Y488-W540 VanDerWaalsContact N-CH2 3.29Å
489	P	94.8	Very high	95.9	Very high	6 Å²	6	46 Å²	46	4%	0.039	24%	0.24	C	C	.	.			trans	-72.6	135.1	171.7	21.2	-22.9	0	0	0	111.5	F427 F491 I492 W540	F427-P489 HydrophobicContact CD1-CG 4.2Å; F427-P489 HydrophobicContact CE1-CG 4.19Å; P489-F491 HydrophobicContact CB-CD1 3.65Å; P489-F491 HydrophobicContact CB-CE1 3.59Å; P489-F491 HydrophobicContact CG-CD1 4.13Å; P489-F491 HydrophobicContact CG-CE1 3.61Å; P489-F491 HydrophobicContact CG-CZ 4.36Å; P489-F491 PolarHBondContact O-N 3.07Å; P489-I492 HydrophobicContact CG-CG2 3.95Å; P489-I492 WeakPolarHBondContact O-CG1 3.45Å; P489-I492 PolarHBondContact O-N 3.28Å; P489-W540 HydrophobicContact CB-CD2 4.39Å; P489-W540 HydrophobicContact CB-CG 4.27Å; P489-W540 HydrophobicContact CG-CD2 4.05Å; P489-W540 HydrophobicContact CG-CG 4.01Å
490	E	92.6	Very high	95.8	Very high	144 Å²	144	54.3 Å²	54.3	67%	0.673	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-56.6	-29.9	-174.5	-62.9	-175.2	165.9	0	0	114.5	I492 M493	E490-I492 PolarHBondContact O-N 3.08Å; E490-M493 PolarHBondContact O-N 3.25Å
491	F	94.4	Very high	95.6	Very high	45 Å²	45	53.8 Å²	53.8	20%	0.197	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-64.4	-26.2	-175.1	80.8	-93	0	0	0	113.2	F427 P489 M493 N494 K497 L498 V501	F427-F491 HydrophobicContact CB-CZ 4.29Å; F427-F491 HydrophobicContact CD1-CZ 4.21Å; F427-F491 HydrophobicContact CG-CZ 4.1Å; P489-F491 HydrophobicContact CB-CD1 3.65Å; P489-F491 HydrophobicContact CB-CE1 3.59Å; P489-F491 HydrophobicContact CG-CD1 4.13Å; P489-F491 HydrophobicContact CG-CE1 3.61Å; P489-F491 HydrophobicContact CG-CZ 4.36Å; P489-F491 PolarHBondContact O-N 3.07Å; F491-M493 PolarHBondContact O-N 2.85Å; F491-N494 PolarHBondContact O-N 3.47Å; F491-K497 HydrophobicContact CB-CB 4.23Å; F491-K497 HydrophobicContact CB-CD 4.13Å; F491-L498 HydrophobicContact CE2-CD1 4.31Å; F491-V501 HydrophobicContact CD2-CG2 4.3Å; F491-V501 HydrophobicContact CE2-CG2 4.06Å
492	I	96.1	Very high	95.5	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-72.7	-22	-178	78.2	-179.6	0	0	0	112	F427 A431 Y488 P489 E490 N494 L498 P544	F427-I492 HydrophobicContact CB-CG2 4.07Å; F427-I492 HydrophobicContact CD1-CG2 4.3Å; A431-I492 HydrophobicContact CB-CB 4.19Å; A431-I492 HydrophobicContact CB-CD1 4.48Å; A431-I492 HydrophobicContact CB-CG1 4.27Å; A431-I492 WeakPolarHBondContact CB-O 3.36Å; Y488-I492 HydrophobicContact CD2-CD1 4.39Å; Y488-I492 HydrophobicContact CD2-CG1 4.33Å; Y488-I492 HydrophobicContact CG-CD1 4.38Å; P489-I492 HydrophobicContact CG-CG2 3.95Å; P489-I492 WeakPolarHBondContact O-CG1 3.45Å; P489-I492 PolarHBondContact O-N 3.28Å; E490-I492 PolarHBondContact O-N 3.08Å; I492-N494 VanDerWaalsContact C-N 3.26Å; I492-L498 HydrophobicContact CB-CD1 4.37Å; I492-L498 HydrophobicContact CG2-CD1 4.35Å; I492-P544 HydrophobicContact CD1-CG 3.62Å
493	M	94.4	Very high	95.4	Very high	67 Å²	67	56.9 Å²	56.9	33%	0.33	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-82.7	-5.5	175.6	-66.3	-55.6	164.8	0	0	113.2	V434 K435 Y488 E490 F491	V434-M493 HydrophobicContact CB-CE 3.47Å; V434-M493 VanDerWaalsContact CB-CE 3.47Å; V434-M493 HydrophobicContact CG1-CE 3.22Å; V434-M493 HydrophobicContact CG2-CE 4.37Å; K435-M493 HydrophobicContact CG-SD 4.3Å; Y488-M493 HydrophobicContact CD2-CE 3.97Å; Y488-M493 HydrophobicContact CD2-CG 3.9Å; Y488-M493 HydrophobicContact CE2-CE 3.96Å; Y488-M493 HydrophobicContact CE2-CG 3.44Å; Y488-M493 VanDerWaalsContact CE2-CG 3.44Å; Y488-M493 HydrophobicContact CG-CE 4.26Å; E490-M493 PolarHBondContact O-N 3.25Å; F491-M493 PolarHBondContact O-N 2.85Å
494	N	96.5	Very high	95.3	Very high	68 Å²	68	56.4 Å²	56.4	36%	0.364	29%	0.29	S	S	.	.	S	Bend	trans	-106.5	104.9	173.4	-174.9	-57.6	0	0	0	109.6	F491 I492 T496 K497 L498	F491-N494 PolarHBondContact O-N 3.47Å; I492-N494 VanDerWaalsContact C-N 3.26Å; N494-T496 PolarHBondContact O-N 2.85Å; N494-T496 VanDerWaalsContact O-N 3.15Å; N494-T496 WeakPolarHBondContact OD1-CB 3.37Å; N494-T496 PolarHBondContact OD1-N 2.75Å; N494-T496 VanDerWaalsContact OD1-N 3.16Å; N494-K497 HydrophobicContact CB-CB 4.12Å; N494-K497 HydrophobicContact CB-CD 4.09Å; N494-K497 HydrophobicContact CB-CG 4.12Å; N494-K497 PolarHBondContact O-N 3.3Å; N494-K497 PolarHBondContact OD1-N 3.06Å; N494-K497 VanDerWaalsContact OD1-N 3.09Å; N494-L498 PolarHBondContact O-N 3.12Å
495	A	96.4	Very high	95.4	Very high	51 Å²	51	54 Å²	54	42%	0.421	28%	0.278	S	S	.	.	H	α-helix	trans	-51.5	-40.3	-177.8	0	0	0	0	0	113.3	L498 D499	A495-L498 PolarHBondContact O-N 3.28Å; A495-D499 VanDerWaalsContact O-CB 3.27Å; A495-D499 WeakPolarHBondContact O-CB 3.3Å; A495-D499 VanDerWaalsContact O-CG 3.28Å; A495-D499 PolarHBondContact O-N 3.16Å
496	T	97.3	Very high	95.3	Very high	115 Å²	115	59 Å²	59	71%	0.706	30%	0.302	S	S	*	.	H	α-helix	trans	-66.2	-40.7	178.6	-52.2	0	0	0	0	112.4	N494 K500	N494-T496 PolarHBondContact O-N 2.85Å; N494-T496 VanDerWaalsContact O-N 3.15Å; N494-T496 WeakPolarHBondContact OD1-CB 3.37Å; N494-T496 PolarHBondContact OD1-N 2.75Å; N494-T496 VanDerWaalsContact OD1-N 3.16Å; T496-K500 WeakPolarHBondContact O-CB 3.08Å; T496-K500 PolarHBondContact O-N 2.73Å
497	K	96.6	Very high	95.4	Very high	119 Å²	119	59.7 Å²	59.7	52%	0.517	31%	0.307	S	S	.	.	H	α-helix	trans	-69.7	-43.3	176.7	-68	-176.8	-177.8	177.7	0	111.1	F491 N494 K500 V501	F491-K497 HydrophobicContact CB-CB 4.23Å; F491-K497 HydrophobicContact CB-CD 4.13Å; N494-K497 HydrophobicContact CB-CB 4.12Å; N494-K497 HydrophobicContact CB-CD 4.09Å; N494-K497 HydrophobicContact CB-CG 4.12Å; N494-K497 PolarHBondContact O-N 3.3Å; N494-K497 PolarHBondContact OD1-N 3.06Å; N494-K497 VanDerWaalsContact OD1-N 3.09Å; K497-K500 WeakPolarHBondContact O-CB 3.15Å; K497-K500 PolarHBondContact O-N 3.18Å; K497-V501 PolarHBondContact O-N 3.46Å
498	L	96.9	Very high	95.4	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-61.4	-47.4	178	-176.4	63.8	0	0	0	111.5	A157 E158 A428 A431 F491 I492 N494 A495 K500 V501 F502	A157-L498 HydrophobicContact CB-CD2 4.12Å; A157-L498 HydrophobicContact CB-CG 3.76Å; E158-L498 HydrophobicContact CG-CD2 4.37Å; A428-L498 HydrophobicContact CB-CD1 4.32Å; A428-L498 HydrophobicContact CB-CD2 4.42Å; A431-L498 HydrophobicContact CB-CD2 3.94Å; F491-L498 HydrophobicContact CE2-CD1 4.31Å; I492-L498 HydrophobicContact CB-CD1 4.37Å; I492-L498 HydrophobicContact CG2-CD1 4.35Å; N494-L498 PolarHBondContact O-N 3.12Å; A495-L498 PolarHBondContact O-N 3.28Å; L498-K500 VanDerWaalsContact C-N 3.27Å; L498-K500 PolarHBondContact O-N 3.47Å; L498-V501 PolarHBondContact O-N 2.99Å; L498-V501 VanDerWaalsContact O-N 3.15Å; L498-F502 HydrophobicContact CD1-CD2 4.02Å; L498-F502 HydrophobicContact CD1-CE2 3.78Å; L498-F502 PolarHBondContact O-N 3.16Å
499	D	97.7	Very high	95.1	Very high	35 Å²	35	64 Å²	64	19%	0.187	34%	0.34	C	S	.	.	H	α-helix	trans	-61.4	-36	177.4	-79.1	-8.9	0	0	0	112.4	S155 K156 A157 A495 V501 F502 N503	S155-D499 WeakPolarHBondContact CB-OD1 3.46Å; K156-D499 WeakPolarHBondContact CA-OD1 3.47Å; K156-D499 WeakPolarHBondContact CB-OD1 3.24Å; K156-D499 PolarHBondContact N-OD1 3.42Å; K156-D499 PolarHBondContact N-OD2 3.41Å; A157-D499 PolarHBondContact N-OD1 3.38Å; A495-D499 VanDerWaalsContact O-CB 3.27Å; A495-D499 WeakPolarHBondContact O-CB 3.3Å; A495-D499 VanDerWaalsContact O-CG 3.28Å; A495-D499 PolarHBondContact O-N 3.16Å; D499-V501 VanDerWaalsContact C-N 3.34Å; D499-V501 PolarHBondContact O-N 2.87Å; D499-F502 CarbonylContact O-C 3.53Å; D499-F502 PolarHBondContact O-N 3.2Å; D499-N503 WeakPolarHBondContact O-CA 3.46Å; D499-N503 WeakPolarHBondContact O-CB 3.46Å; D499-N503 PolarHBondContact O-N 3.39Å
500	K	95.9	Very high	94.8	Very high	174 Å²	174	67.6 Å²	67.6	76%	0.757	36%	0.359	S	S	*	.	H	α-helix	trans	-63.1	-39.5	176.5	-174.3	179.8	179.6	-179.2	0	112	T496 K497 L498	T496-K500 WeakPolarHBondContact O-CB 3.08Å; T496-K500 PolarHBondContact O-N 2.73Å; K497-K500 WeakPolarHBondContact O-CB 3.15Å; K497-K500 PolarHBondContact O-N 3.18Å; L498-K500 VanDerWaalsContact C-N 3.27Å; L498-K500 PolarHBondContact O-N 3.47Å
501	V	93.5	Very high	94.9	Very high	66 Å²	66	63.2 Å²	63.2	40%	0.4	34%	0.339	S	S	.	.	H	α-helix	trans	-63.2	-45.1	178.9	172.8	0	0	0	0	110.6	F491 K497 L498 D499 F522	F491-V501 HydrophobicContact CD2-CG2 4.3Å; F491-V501 HydrophobicContact CE2-CG2 4.06Å; K497-V501 PolarHBondContact O-N 3.46Å; L498-V501 PolarHBondContact O-N 2.99Å; L498-V501 VanDerWaalsContact O-N 3.15Å; D499-V501 VanDerWaalsContact C-N 3.34Å; D499-V501 PolarHBondContact O-N 2.87Å; V501-F522 WeakPolarHBondContact O-CE2 3.48Å; V501-F522 VanDerWaalsContact O-CZ 3.3Å; V501-F522 WeakPolarHBondContact O-CZ 3.36Å
502	F	95.8	Very high	95.1	Very high	9 Å²	9	61.2 Å²	61.2	4%	0.039	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	13.5	-176.3	-65.6	-73.7	0	0	0	113.9	A157 K160 L425 F427 A428 L498 D499 D504 F505 F522	A157-F502 HydrophobicContact CB-CB 4.11Å; A157-F502 HydrophobicContact CB-CD2 3.85Å; A157-F502 HydrophobicContact CB-CG 4.34Å; K160-F502 PolarHBondContact NZ-O 3.15Å; L425-F502 HydrophobicContact CD2-CD1 3.42Å; L425-F502 VanDerWaalsContact CD2-CD1 3.42Å; L425-F502 HydrophobicContact CD2-CE1 3.49Å; L425-F502 VanDerWaalsContact CD2-CE1 3.49Å; L425-F502 HydrophobicContact CD2-CG 4.09Å; L425-F502 HydrophobicContact CD2-CZ 4.2Å; F427-F502 HydrophobicContact CB-CE2 4.16Å; F427-F502 HydrophobicContact CB-CZ 4.16Å; A428-F502 HydrophobicContact CB-CD2 4.24Å; A428-F502 HydrophobicContact CB-CE2 3.93Å; L498-F502 HydrophobicContact CD1-CD2 4.02Å; L498-F502 HydrophobicContact CD1-CE2 3.78Å; L498-F502 PolarHBondContact O-N 3.16Å; D499-F502 CarbonylContact O-C 3.53Å; D499-F502 PolarHBondContact O-N 3.2Å; F502-D504 VanDerWaalsContact C-N 3.34Å; F502-D504 PolarHBondContact O-N 3.46Å; F502-F505 PolarHBondContact O-N 2.94Å; F502-F522 HydrophobicContact CD1-CE1 4.05Å; F502-F522 HydrophobicContact CD1-CZ 4.06Å; F502-F522 HydrophobicContact CE1-CE1 4.25Å
503	N	95.6	Very high	95.2	Very high	98 Å²	98	62.4 Å²	62.4	52%	0.524	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-47.2	-174	-178.9	71.3	0	0	0	111.9	K160 D499 F505	K160-N503 PolarHBondContact NZ-O 3.29Å; D499-N503 WeakPolarHBondContact O-CA 3.46Å; D499-N503 WeakPolarHBondContact O-CB 3.46Å; D499-N503 PolarHBondContact O-N 3.39Å; N503-F505 VanDerWaalsContact C-N 3.29Å; N503-F505 PolarHBondContact O-N 3.47Å
504	D	93.4	Very high	95.3	Very high	81 Å²	81	63.2 Å²	63.2	43%	0.433	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.9	-174.8	-75.4	19.2	0	0	0	113.7	F502 M506 F522 R525	F502-D504 VanDerWaalsContact C-N 3.34Å; F502-D504 PolarHBondContact O-N 3.46Å; D504-M506 PolarHBondContact O-N 3.11Å; D504-F522 HydrophobicContact CB-CD2 4.2Å; D504-F522 HydrophobicContact CB-CE2 4.34Å; D504-R525 IonicContact OD2-CZ 2.65Å; D504-R525 IonicContact OD2-NH1 2.81Å; D504-R525 PolarHBondContact OD2-NH1 3Å; D504-R525 IonicContact OD2-NH2 2.68Å; D504-R525 PolarHBondContact OD2-NH2 2.6Å
505	F	95	Very high	95.3	Very high	1 Å²	1	60 Å²	60	0%	0.004	32%	0.321	C	S	.	.			trans	-87	110.7	176.5	-178.8	-143.3	0	0	0	110.6	K160 Y164 L425 F502 N503 V507 Q518 F522	K160-F505 WeakPolarHBondContact CD-O 3.45Å; K160-F505 WeakPolarHBondContact CE-O 3.23Å; K160-F505 PolarHBondContact NZ-O 2.86Å; Y164-F505 HydrophobicContact CD2-CE1 4.26Å; Y164-F505 AromaticContact CD2-CZ 3.84Å; Y164-F505 HydrophobicContact CD2-CZ 3.84Å; Y164-F505 AromaticContact CE2-CZ 3.84Å; Y164-F505 HydrophobicContact CE2-CZ 3.84Å; L425-F505 HydrophobicContact CD1-CD1 4.44Å; L425-F505 HydrophobicContact CD1-CE1 3.82Å; L425-F505 HydrophobicContact CD2-CD1 3.57Å; L425-F505 HydrophobicContact CD2-CE1 3.66Å; L425-F505 HydrophobicContact CG-CD1 4.21Å; L425-F505 HydrophobicContact CG-CE1 3.76Å; F502-F505 PolarHBondContact O-N 2.94Å; N503-F505 VanDerWaalsContact C-N 3.29Å; N503-F505 PolarHBondContact O-N 3.47Å; F505-V507 HydrophobicContact CD1-CG2 4.17Å; F505-V507 HydrophobicContact CE1-CG2 3.74Å; F505-V507 HydrophobicContact CE2-CG2 4.38Å; F505-V507 HydrophobicContact CZ-CG2 3.84Å; F505-Q518 HydrophobicContact CD2-CB 4.38Å; F505-Q518 HydrophobicContact CE2-CB 3.99Å; F505-F522 HydrophobicContact CB-CB 4.32Å; F505-F522 HydrophobicContact CB-CD1 4.03Å; F505-F522 HydrophobicContact CB-CD2 3.82Å; F505-F522 HydrophobicContact CB-CE1 4.29Å; F505-F522 HydrophobicContact CB-CE2 4.1Å; F505-F522 HydrophobicContact CB-CG 3.78Å; F505-F522 HydrophobicContact CB-CZ 4.33Å; F505-F522 HydrophobicContact CD2-CB 4.22Å; F505-F522 HydrophobicContact CD2-CG 4.48Å; F505-F522 HydrophobicContact CG-CD1 4.29Å; F505-F522 HydrophobicContact CG-CG 4.28Å
506	M	93.9	Very high	95.3	Very high	116 Å²	116	57.6 Å²	57.6	57%	0.571	30%	0.302	S	S	*	.			trans	-97	125.6	179.5	-65.7	-60	-66.8	0	0	110.5	D504	D504-M506 PolarHBondContact O-N 3.11Å
507	V	95.7	Very high	95.2	Very high	20 Å²	20	54 Å²	54	12%	0.121	28%	0.278	C	S	.	.			trans	-108.4	123.4	176.7	-178.8	0	0	0	0	108.6	K160 R163 Y164 F505	K160-V507 HydrophobicContact CB-CG2 4.05Å; K160-V507 HydrophobicContact CG-CG2 4.36Å; R163-V507 HydrophobicContact CB-CG1 3.95Å; Y164-V507 HydrophobicContact CD2-CG1 4.33Å; Y164-V507 HydrophobicContact CD2-CG2 4.27Å; F505-V507 HydrophobicContact CD1-CG2 4.17Å; F505-V507 HydrophobicContact CE1-CG2 3.74Å; F505-V507 HydrophobicContact CE2-CG2 4.38Å; F505-V507 HydrophobicContact CZ-CG2 3.84Å
508	V	94.5	Very high	95.1	Very high	53 Å²	53	51.6 Å²	51.6	32%	0.321	27%	0.268	S	S	.	.			trans	-99.3	132.5	178.4	-173.4	0	0	0	0	108.9	L511 N515	V508-L511 HydrophobicContact CB-CB 4.48Å; V508-L511 HydrophobicContact CG1-CB 4.34Å; V508-L511 HydrophobicContact CG1-CD1 4.03Å; V508-L511 HydrophobicContact CG1-CG 4.34Å; V508-N515 PolarHBondContact N-OD1 3.35Å; V508-N515 PolarHBondContact O-ND2 3.36Å; V508-N515 PolarHBondContact O-OD1 3Å
509	S	90.1	Very high	95	Very high	75 Å²	75	53.9 Å²	53.9	52%	0.524	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	142.1	174.4	-56.8	0	0	0	0	110.7	L511	S509-L511 PolarHBondContact O-N 3.32Å
510	D	88.6	Confident	94.7	Very high	80 Å²	80	54 Å²	54	43%	0.428	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	-6.4	173	-50.8	-51.4	0	0	0	117.5	N170 K173	N170-D510 PolarHBondContact ND2-OD1 3.45Å; K173-D510 HydrophobicContact CG-CB 4.34Å; K173-D510 VanDerWaalsContact CG-O 3.26Å; K173-D510 WeakPolarHBondContact CG-O 3.45Å
511	L	95.6	Very high	94.5	Very high	52 Å²	52	49.1 Å²	49.1	27%	0.272	26%	0.257	S	S	.	.			trans	-109.6	72.5	-178.7	-62.2	-177.5	0	0	0	112.4	L177 V508 S509 F513 Q514 N515	L177-L511 HydrophobicContact CD1-CD2 4.24Å; V508-L511 HydrophobicContact CB-CB 4.48Å; V508-L511 HydrophobicContact CG1-CB 4.34Å; V508-L511 HydrophobicContact CG1-CD1 4.03Å; V508-L511 HydrophobicContact CG1-CG 4.34Å; S509-L511 PolarHBondContact O-N 3.32Å; L511-F513 PolarHBondContact O-N 3.16Å; L511-Q514 HydrophobicContact CB-CB 3.98Å; L511-Q514 PolarHBondContact O-N 3.03Å; L511-N515 VanDerWaalsContact O-CG 3.3Å; L511-N515 PolarHBondContact O-N 3.38Å; L511-N515 PolarHBondContact O-ND2 2.75Å
512	Y	97.7	Very high	94.4	Very high	3 Å²	3	47 Å²	47	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-57.7	-50.2	-176.7	-179.8	-134.6	0	0	0	113.9	Y164 C168 I174 V387 D420 Q514 N515 V516	Y164-Y512 HydrophobicContact CE1-CE2 4.08Å; C168-Y512 HydrophobicContact CB-CD1 4.41Å; C168-Y512 HydrophobicContact CB-CD2 3.66Å; C168-Y512 HydrophobicContact CB-CE1 4.3Å; C168-Y512 HydrophobicContact CB-CE2 3.57Å; C168-Y512 HydrophobicContact CB-CG 4.1Å; C168-Y512 VanDerWaalsContact SG-CZ 3.55Å; I174-Y512 HydrophobicContact CD1-CD1 3.87Å; I174-Y512 HydrophobicContact CD1-CG 4.45Å; V387-Y512 HydrophobicContact CB-CD1 4.07Å; V387-Y512 HydrophobicContact CB-CE1 3.63Å; V387-Y512 HydrophobicContact CG1-CE1 3.7Å; D420-Y512 WeakPolarHBondContact OD2-CE2 3.28Å; D420-Y512 PolarHBondContact OD2-OH 3.42Å; Y512-Q514 VanDerWaalsContact C-N 3.26Å; Y512-Q514 PolarHBondContact O-N 3.36Å; Y512-N515 WeakPolarHBondContact O-CB 3.49Å; Y512-N515 PolarHBondContact O-N 2.9Å; Y512-V516 HydrophobicContact CD2-CG2 3.98Å; Y512-V516 HydrophobicContact CE2-CG2 3.6Å; Y512-V516 WeakPolarHBondContact O-CG2 3.2Å; Y512-V516 PolarHBondContact O-N 2.97Å
513	F	97.5	Very high	94.2	Very high	27 Å²	27	48 Å²	48	12%	0.118	25%	0.251	C	S	.	.	H	α-helix	trans	-55.6	-42	178.1	-174.2	-81.5	0	0	0	112	P181 L182 L185 M384 V387 L388 L511 V516 M517	P181-F513 HydrophobicContact CB-CB 4.14Å; P181-F513 HydrophobicContact CB-CD1 3.57Å; P181-F513 HydrophobicContact CB-CD2 3.93Å; P181-F513 HydrophobicContact CB-CE1 3.87Å; P181-F513 HydrophobicContact CB-CE2 4.2Å; P181-F513 HydrophobicContact CB-CG 3.61Å; P181-F513 HydrophobicContact CB-CZ 4.17Å; P181-F513 HydrophobicContact CG-CG 4.48Å; L182-F513 HydrophobicContact CB-CE2 4.07Å; L182-F513 HydrophobicContact CB-CZ 4.24Å; L182-F513 HydrophobicContact CD1-CZ 4.43Å; L185-F513 HydrophobicContact CD2-CE1 4.33Å; L185-F513 HydrophobicContact CD2-CZ 3.97Å; M384-F513 HydrophobicContact CB-CE2 4.15Å; M384-F513 HydrophobicContact CE-CD1 4.35Å; M384-F513 HydrophobicContact CE-CD2 3.93Å; M384-F513 HydrophobicContact CE-CE1 3.88Å; M384-F513 HydrophobicContact CE-CE2 3.4Å; M384-F513 VanDerWaalsContact CE-CE2 3.4Å; M384-F513 HydrophobicContact CE-CG 4.37Å; M384-F513 HydrophobicContact CE-CZ 3.38Å; M384-F513 HydrophobicContact CG-CE2 4.42Å; V387-F513 HydrophobicContact CG2-CD2 3.75Å; V387-F513 HydrophobicContact CG2-CE2 4.23Å; L388-F513 HydrophobicContact CD2-CD2 3.87Å; L388-F513 HydrophobicContact CD2-CE2 3.96Å; L511-F513 PolarHBondContact O-N 3.16Å; F513-V516 PolarHBondContact O-N 2.76Å; F513-M517 HydrophobicContact CD1-CG 4.03Å; F513-M517 HydrophobicContact CE1-CG 3.81Å; F513-M517 HydrophobicContact CE1-SD 4.42Å; F513-M517 VanDerWaalsContact O-CG 3.3Å; F513-M517 WeakPolarHBondContact O-CG 2.8Å; F513-M517 PolarHBondContact O-N 3.36Å; F513-M517 VanDerWaalsContact O-N 3.1Å
514	Q	96.5	Very high	94	Very high	83 Å²	83	43.7 Å²	43.7	39%	0.388	23%	0.229	S	C	.	.	H	α-helix	trans	-66.6	-39.3	177	-175.9	177.4	-6.1	0	0	111.6	L511 Y512 V516 M517 Q518	L511-Q514 HydrophobicContact CB-CB 3.98Å; L511-Q514 PolarHBondContact O-N 3.03Å; Y512-Q514 VanDerWaalsContact C-N 3.26Å; Y512-Q514 PolarHBondContact O-N 3.36Å; Q514-V516 VanDerWaalsContact C-N 3.34Å; Q514-V516 PolarHBondContact O-N 2.78Å; Q514-M517 WeakPolarHBondContact O-CB 3.4Å; Q514-M517 PolarHBondContact O-N 3.2Å; Q514-Q518 HydrophobicContact CG-CG 4.31Å; Q514-Q518 WeakPolarHBondContact O-CB 3.38Å; Q514-Q518 WeakPolarHBondContact O-CG 3.31Å; Q514-Q518 PolarHBondContact O-N 3.02Å
515	N	97.6	Very high	93.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-39.9	177.4	-68.5	-26.6	0	0	0	112.1	Y164 A167 V508 L511 Y512 Q518 Y519	Y164-N515 HydrophobicContact CD2-CB 3.77Å; Y164-N515 HydrophobicContact CE2-CB 3.55Å; A167-N515 WeakPolarHBondContact CB-ND2 3.33Å; V508-N515 PolarHBondContact N-OD1 3.35Å; V508-N515 PolarHBondContact O-ND2 3.36Å; V508-N515 PolarHBondContact O-OD1 3Å; L511-N515 VanDerWaalsContact O-CG 3.3Å; L511-N515 PolarHBondContact O-N 3.38Å; L511-N515 PolarHBondContact O-ND2 2.75Å; Y512-N515 WeakPolarHBondContact O-CB 3.49Å; Y512-N515 PolarHBondContact O-N 2.9Å; N515-Q518 PolarHBondContact O-N 2.79Å; N515-Y519 WeakPolarHBondContact O-CB 3.28Å; N515-Y519 PolarHBondContact O-N 3.26Å
516	V	96.3	Very high	93.5	Very high	2 Å²	2	48 Å²	48	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-62.4	-44.6	174.6	173.2	0	0	0	0	110.8	Y164 M384 V387 Y512 F513 Q514 Q518 Y519 Y520	Y164-V516 VanDerWaalsContact OH-CG2 3.3Å; Y164-V516 WeakPolarHBondContact OH-CG2 3.41Å; M384-V516 HydrophobicContact CE-CG1 4.31Å; V387-V516 HydrophobicContact CB-CG2 4.35Å; V387-V516 HydrophobicContact CG1-CG1 4.28Å; V387-V516 HydrophobicContact CG1-CG2 3.8Å; Y512-V516 HydrophobicContact CD2-CG2 3.98Å; Y512-V516 HydrophobicContact CE2-CG2 3.6Å; Y512-V516 WeakPolarHBondContact O-CG2 3.2Å; Y512-V516 PolarHBondContact O-N 2.97Å; F513-V516 PolarHBondContact O-N 2.76Å; Q514-V516 VanDerWaalsContact C-N 3.34Å; Q514-V516 PolarHBondContact O-N 2.78Å; V516-Q518 PolarHBondContact O-N 3.14Å; V516-Y519 WeakPolarHBondContact O-CB 3.12Å; V516-Y519 PolarHBondContact O-N 3.15Å; V516-Y520 HydrophobicContact CG1-CD2 4.24Å; V516-Y520 HydrophobicContact CG1-CE2 3.54Å; V516-Y520 WeakPolarHBondContact O-CD2 3.39Å; V516-Y520 PolarHBondContact O-N 2.75Å
517	M	94.6	Very high	93.3	Very high	40 Å²	40	43.8 Å²	43.8	20%	0.197	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-43.2	175.3	-71.8	-67.8	-62	0	0	112.8	L185 L214 M384 F513 Q514 Y519 Y520 N521	L185-M517 HydrophobicContact CD1-CE 3.97Å; L185-M517 HydrophobicContact CD2-CE 4.02Å; L185-M517 HydrophobicContact CD2-SD 3.92Å; L214-M517 HydrophobicContact CD2-CE 3.09Å; L214-M517 HydrophobicContact CD2-SD 3.74Å; M384-M517 HydrophobicContact CE-CG 3.78Å; M384-M517 HydrophobicContact CE-SD 3.47Å; M384-M517 WeakPolarHBondContact CE-SD 2.72Å; M384-M517 HydrophobicContact SD-SD 4.32Å; F513-M517 HydrophobicContact CD1-CG 4.03Å; F513-M517 HydrophobicContact CE1-CG 3.81Å; F513-M517 HydrophobicContact CE1-SD 4.42Å; F513-M517 VanDerWaalsContact O-CG 3.3Å; F513-M517 WeakPolarHBondContact O-CG 2.8Å; F513-M517 PolarHBondContact O-N 3.36Å; F513-M517 VanDerWaalsContact O-N 3.1Å; Q514-M517 WeakPolarHBondContact O-CB 3.4Å; Q514-M517 PolarHBondContact O-N 3.2Å; M517-Y519 VanDerWaalsContact C-N 3.28Å; M517-Y519 PolarHBondContact O-N 3.47Å; M517-Y520 PolarHBondContact O-N 3.33Å; M517-N521 PolarHBondContact O-N 2.62Å; M517-N521 VanDerWaalsContact O-N 3.16Å
518	Q	94.3	Very high	93.1	Very high	67 Å²	67	42.9 Å²	42.9	31%	0.313	22%	0.222	S	C	.	.	H	α-helix	trans	-63.9	-35.9	175.8	-70.4	-76	45.2	0	0	111.6	F505 Q514 N515 V516 N521 F522	F505-Q518 HydrophobicContact CD2-CB 4.38Å; F505-Q518 HydrophobicContact CE2-CB 3.99Å; Q514-Q518 HydrophobicContact CG-CG 4.31Å; Q514-Q518 WeakPolarHBondContact O-CB 3.38Å; Q514-Q518 WeakPolarHBondContact O-CG 3.31Å; Q514-Q518 PolarHBondContact O-N 3.02Å; N515-Q518 PolarHBondContact O-N 2.79Å; V516-Q518 PolarHBondContact O-N 3.14Å; Q518-N521 PolarHBondContact O-N 3.45Å; Q518-F522 WeakPolarHBondContact O-CB 3.46Å; Q518-F522 PolarHBondContact O-N 3.43Å
519	Y	94.4	Very high	93	Very high	50 Å²	50	44 Å²	44	20%	0.196	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-46	174	166.2	-102.6	0	0	0	111.5	S423 A424 N515 V516 M517 N521 F522 S523	S423-Y519 PolarHBondContact O-OH 2.91Å; A424-Y519 HydrophobicContact CB-CD1 4.48Å; A424-Y519 HydrophobicContact CB-CD2 3.77Å; A424-Y519 HydrophobicContact CB-CE2 4Å; A424-Y519 HydrophobicContact CB-CG 4.02Å; A424-Y519 VanDerWaalsContact O-CE2 3.28Å; A424-Y519 WeakPolarHBondContact O-CE2 3.45Å; N515-Y519 WeakPolarHBondContact O-CB 3.28Å; N515-Y519 PolarHBondContact O-N 3.26Å; V516-Y519 WeakPolarHBondContact O-CB 3.12Å; V516-Y519 PolarHBondContact O-N 3.15Å; M517-Y519 VanDerWaalsContact C-N 3.28Å; M517-Y519 PolarHBondContact O-N 3.47Å; Y519-N521 VanDerWaalsContact C-N 3.32Å; Y519-N521 PolarHBondContact O-N 3.01Å; Y519-F522 PolarHBondContact O-N 2.87Å; Y519-S523 VanDerWaalsContact O-CB 3.3Å; Y519-S523 WeakPolarHBondContact O-CB 3.35Å; Y519-S523 PolarHBondContact O-N 3.42Å
520	Y	92.7	Very high	93.1	Very high	36 Å²	36	42 Å²	42	14%	0.141	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-42	177.9	-66.4	-38.3	0	0	0	112.5	K383 M384 V516 M517 S523 A524	K383-Y520 HydrophobicContact CD-CE2 4.41Å; K383-Y520 WeakPolarHBondContact CE-OH 3.38Å; M384-Y520 HydrophobicContact SD-CE2 3.83Å; V516-Y520 HydrophobicContact CG1-CD2 4.24Å; V516-Y520 HydrophobicContact CG1-CE2 3.54Å; V516-Y520 WeakPolarHBondContact O-CD2 3.39Å; V516-Y520 PolarHBondContact O-N 2.75Å; M517-Y520 PolarHBondContact O-N 3.33Å; Y520-S523 PolarHBondContact O-N 3.13Å; Y520-A524 WeakPolarHBondContact O-CB 3.47Å; Y520-A524 PolarHBondContact O-N 3.13Å
521	N	90.8	Very high	93.5	Very high	73 Å²	73	38.5 Å²	38.5	39%	0.39	19%	0.189	S	C	.	.	H	α-helix	trans	-64.4	-44.9	175.2	-174	23.2	0	0	0	112.1	M517 Q518 Y519 A524 R525	M517-N521 PolarHBondContact O-N 2.62Å; M517-N521 VanDerWaalsContact O-N 3.16Å; Q518-N521 PolarHBondContact O-N 3.45Å; Y519-N521 VanDerWaalsContact C-N 3.32Å; Y519-N521 PolarHBondContact O-N 3.01Å; N521-A524 WeakPolarHBondContact O-CB 3.49Å; N521-A524 PolarHBondContact O-N 3.33Å; N521-R525 WeakPolarHBondContact O-CG 3.16Å; N521-R525 PolarHBondContact O-N 3.26Å; N521-R525 VanDerWaalsContact O-N 3.09Å
522	F	92.7	Very high	93.5	Very high	21 Å²	21	42 Å²	42	9%	0.092	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-48.8	175.1	168.2	-104.2	0	0	0	111.8	V501 F502 D504 F505 Q518 Y519 A524 R525 V526	V501-F522 WeakPolarHBondContact O-CE2 3.48Å; V501-F522 VanDerWaalsContact O-CZ 3.3Å; V501-F522 WeakPolarHBondContact O-CZ 3.36Å; F502-F522 HydrophobicContact CD1-CE1 4.05Å; F502-F522 HydrophobicContact CD1-CZ 4.06Å; F502-F522 HydrophobicContact CE1-CE1 4.25Å; D504-F522 HydrophobicContact CB-CD2 4.2Å; D504-F522 HydrophobicContact CB-CE2 4.34Å; F505-F522 HydrophobicContact CB-CB 4.32Å; F505-F522 HydrophobicContact CB-CD1 4.03Å; F505-F522 HydrophobicContact CB-CD2 3.82Å; F505-F522 HydrophobicContact CB-CE1 4.29Å; F505-F522 HydrophobicContact CB-CE2 4.1Å; F505-F522 HydrophobicContact CB-CG 3.78Å; F505-F522 HydrophobicContact CB-CZ 4.33Å; F505-F522 HydrophobicContact CD2-CB 4.22Å; F505-F522 HydrophobicContact CD2-CG 4.48Å; F505-F522 HydrophobicContact CG-CD1 4.29Å; F505-F522 HydrophobicContact CG-CG 4.28Å; Q518-F522 WeakPolarHBondContact O-CB 3.46Å; Q518-F522 PolarHBondContact O-N 3.43Å; Y519-F522 PolarHBondContact O-N 2.87Å; F522-A524 VanDerWaalsContact C-N 3.32Å; F522-A524 PolarHBondContact O-N 3.11Å; F522-R525 PolarHBondContact O-N 3.4Å; F522-V526 HydrophobicContact CD1-CG2 4.45Å; F522-V526 HydrophobicContact CD2-CG2 4.14Å; F522-V526 HydrophobicContact CE1-CG2 4.03Å; F522-V526 HydrophobicContact CE2-CG2 3.68Å; F522-V526 HydrophobicContact CZ-CG2 3.62Å; F522-V526 WeakPolarHBondContact O-CG2 3.42Å; F522-V526 PolarHBondContact O-N 2.76Å
523	S	91.3	Very high	93.3	Very high	30 Å²	30	46.5 Å²	46.5	21%	0.21	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-39.5	178.2	179.4	0	0	0	0	112.2	Y519 Y520 V526 T527	Y519-S523 VanDerWaalsContact O-CB 3.3Å; Y519-S523 WeakPolarHBondContact O-CB 3.35Å; Y519-S523 PolarHBondContact O-N 3.42Å; Y520-S523 PolarHBondContact O-N 3.13Å; S523-V526 PolarHBondContact O-N 3Å; S523-T527 WeakPolarHBondContact O-CB 3.14Å; S523-T527 PolarHBondContact O-N 2.86Å; S523-T527 PolarHBondContact O-OG1 3.32Å
524	A	90.2	Very high	93.2	Very high	8 Å²	8	48.6 Å²	48.6	7%	0.066	24%	0.241	C	C	.	.	H	α-helix	trans	-58.1	-50.7	173.7	0	0	0	0	0	111.5	R215 Y520 N521 F522 T527 A528	R215-A524 HydrophobicContact CG-CB 4.2Å; Y520-A524 WeakPolarHBondContact O-CB 3.47Å; Y520-A524 PolarHBondContact O-N 3.13Å; N521-A524 WeakPolarHBondContact O-CB 3.49Å; N521-A524 PolarHBondContact O-N 3.33Å; F522-A524 VanDerWaalsContact C-N 3.32Å; F522-A524 PolarHBondContact O-N 3.11Å; A524-T527 PolarHBondContact O-N 3.44Å; A524-A528 WeakPolarHBondContact O-CB 3.44Å; A524-A528 PolarHBondContact O-N 3.11Å
525	R	89.5	Confident	93	Very high	110 Å²	110	46 Å²	46	42%	0.415	23%	0.231	S	C	.	.	H	α-helix	trans	-63	-43	179.3	-70.4	178	65.3	-138.9	-8.2	112.3	D504 N521 F522 T527 A528 D529	D504-R525 IonicContact OD2-CZ 2.65Å; D504-R525 IonicContact OD2-NH1 2.81Å; D504-R525 PolarHBondContact OD2-NH1 3Å; D504-R525 IonicContact OD2-NH2 2.68Å; D504-R525 PolarHBondContact OD2-NH2 2.6Å; N521-R525 WeakPolarHBondContact O-CG 3.16Å; N521-R525 PolarHBondContact O-N 3.26Å; N521-R525 VanDerWaalsContact O-N 3.09Å; F522-R525 PolarHBondContact O-N 3.4Å; R525-T527 VanDerWaalsContact C-N 3.32Å; R525-T527 PolarHBondContact O-N 2.91Å; R525-A528 PolarHBondContact O-N 3.4Å; R525-D529 VanDerWaalsContact O-CB 3.23Å; R525-D529 WeakPolarHBondContact O-CB 3.49Å; R525-D529 PolarHBondContact O-N 2.61Å
526	V	89.9	Confident	92.6	Very high	62 Å²	62	49.3 Å²	49.3	38%	0.376	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-42.7	177.2	171	0	0	0	0	111	F522 S523 Q530	F522-V526 HydrophobicContact CD1-CG2 4.45Å; F522-V526 HydrophobicContact CD2-CG2 4.14Å; F522-V526 HydrophobicContact CE1-CG2 4.03Å; F522-V526 HydrophobicContact CE2-CG2 3.68Å; F522-V526 HydrophobicContact CZ-CG2 3.62Å; F522-V526 WeakPolarHBondContact O-CG2 3.42Å; F522-V526 PolarHBondContact O-N 2.76Å; S523-V526 PolarHBondContact O-N 3Å; V526-Q530 WeakPolarHBondContact O-CG 3.22Å; V526-Q530 PolarHBondContact O-N 3.39Å; V526-Q530 PolarHBondContact O-NE2 3.45Å
527	T	89	Confident	92	Very high	28 Å²	28	53.6 Å²	53.6	17%	0.172	27%	0.265	C	S	.	.	H	α-helix	trans	-66.6	-46.3	177.6	-52.3	0	0	0	0	111.3	R215 V224 S523 A524 R525 D529 Q530	R215-T527 PolarHBondContact NH2-OG1 3.5Å; V224-T527 HydrophobicContact CB-CG2 4.17Å; S523-T527 WeakPolarHBondContact O-CB 3.14Å; S523-T527 PolarHBondContact O-N 2.86Å; S523-T527 PolarHBondContact O-OG1 3.32Å; A524-T527 PolarHBondContact O-N 3.44Å; R525-T527 VanDerWaalsContact C-N 3.32Å; R525-T527 PolarHBondContact O-N 2.91Å; T527-D529 VanDerWaalsContact C-N 3.33Å; T527-D529 PolarHBondContact O-N 3.43Å; T527-Q530 WeakPolarHBondContact O-CB 3.41Å; T527-Q530 PolarHBondContact O-N 3.15Å; T527-Q530 VanDerWaalsContact O-N 3.13Å
528	A	91.5	Very high	91.6	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-40.7	179.2	0	0	0	0	0	112.2	F338 V341 A524 R525 Q530 L531	F338-A528 HydrophobicContact CB-CB 4.44Å; F338-A528 HydrophobicContact CD1-CB 4.02Å; V341-A528 WeakPolarHBondContact CG2-O 3.01Å; A524-A528 WeakPolarHBondContact O-CB 3.44Å; A524-A528 PolarHBondContact O-N 3.11Å; R525-A528 PolarHBondContact O-N 3.4Å; A528-Q530 PolarHBondContact O-N 2.78Å; A528-Q530 VanDerWaalsContact O-N 3.16Å; A528-L531 VanDerWaalsContact O-CB 3.27Å; A528-L531 WeakPolarHBondContact O-CB 3.5Å; A528-L531 PolarHBondContact O-N 2.94Å
529	D	91.5	Very high	91.3	Very high	76 Å²	76	55.6 Å²	55.6	41%	0.406	28%	0.276	S	S	.	.	H	α-helix	trans	-62.3	-19.1	176.6	172.4	70.2	0	0	0	113.4	R525 T527 K533	R525-D529 VanDerWaalsContact O-CB 3.23Å; R525-D529 WeakPolarHBondContact O-CB 3.49Å; R525-D529 PolarHBondContact O-N 2.61Å; T527-D529 VanDerWaalsContact C-N 3.33Å; T527-D529 PolarHBondContact O-N 3.43Å; D529-K533 WeakPolarHBondContact O-CD 3.11Å; D529-K533 WeakPolarHBondContact O-CE 3.16Å; D529-K533 WeakPolarHBondContact O-CG 3.25Å; D529-K533 WeakPolarHBondContact OD1-CE 3.14Å; D529-K533 IonicContact OD1-NZ 2.69Å; D529-K533 PolarHBondContact OD1-NZ 2.84Å; D529-K533 WeakPolarHBondContact OD2-CE 3.3Å; D529-K533 IonicContact OD2-NZ 2.89Å; D529-K533 PolarHBondContact OD2-NZ 3.26Å
530	Q	93.9	Very high	91.3	Very high	33 Å²	33	54 Å²	54	15%	0.154	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-22.7	172.9	-60.5	-45.7	-69	0	0	113.6	V224 N234 V526 T527 A528 R532 K533	V224-Q530 HydrophobicContact CG1-CB 4.27Å; N234-Q530 PolarHBondContact ND2-O 2.95Å; V526-Q530 WeakPolarHBondContact O-CG 3.22Å; V526-Q530 PolarHBondContact O-N 3.39Å; V526-Q530 PolarHBondContact O-NE2 3.45Å; T527-Q530 WeakPolarHBondContact O-CB 3.41Å; T527-Q530 PolarHBondContact O-N 3.15Å; T527-Q530 VanDerWaalsContact O-N 3.13Å; A528-Q530 PolarHBondContact O-N 2.78Å; A528-Q530 VanDerWaalsContact O-N 3.16Å; Q530-R532 PolarHBondContact O-N 2.86Å; Q530-R532 VanDerWaalsContact O-N 3.07Å; Q530-K533 PolarHBondContact O-N 2.96Å
531	L	95.9	Very high	91.2	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.2	-170.6	177.1	57.1	0	0	0	113.5	V224 I236 F338 V341 L343 A528	V224-L531 HydrophobicContact CG1-CB 4.17Å; V224-L531 HydrophobicContact CG1-CD1 4.4Å; V224-L531 HydrophobicContact CG2-CB 4.05Å; V224-L531 HydrophobicContact CG2-CD1 4.06Å; V224-L531 HydrophobicContact CG2-CG 4.43Å; I236-L531 HydrophobicContact CD1-CD2 4.06Å; I236-L531 HydrophobicContact CG1-CD1 3.86Å; I236-L531 HydrophobicContact CG1-CD2 3.96Å; F338-L531 HydrophobicContact CG-CD2 4.49Å; V341-L531 HydrophobicContact CG1-CD2 4.09Å; L343-L531 HydrophobicContact CD2-CD2 3.69Å; A528-L531 VanDerWaalsContact O-CB 3.27Å; A528-L531 WeakPolarHBondContact O-CB 3.5Å; A528-L531 PolarHBondContact O-N 2.94Å
532	R	95.3	Very high	91.5	Very high	127 Å²	127	55 Å²	55	48%	0.479	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	8.4	178.3	-56.8	-58.9	-178.8	-129.7	1.9	113.8	V341 T342 E347 Q530	V341-R532 HydrophobicContact CG1-CG 3.93Å; T342-R532 PolarHBondContact O-NH2 3.26Å; E347-R532 VanDerWaalsContact CD-NH2 3.26Å; E347-R532 IonicContact OE1-CZ 3.56Å; E347-R532 IonicContact OE1-NH1 3.61Å; E347-R532 PolarHBondContact OE1-NH1 3.46Å; E347-R532 IonicContact OE1-NH2 2.69Å; E347-R532 PolarHBondContact OE1-NH2 3Å; E347-R532 IonicContact OE2-CZ 2.6Å; E347-R532 IonicContact OE2-NH1 3.21Å; E347-R532 IonicContact OE2-NH2 3.38Å; E347-R532 PolarHBondContact OE2-NH2 3.33Å; Q530-R532 PolarHBondContact O-N 2.86Å; Q530-R532 VanDerWaalsContact O-N 3.07Å
533	K	94.8	Very high	91.7	Very high	96 Å²	96	55 Å²	55	42%	0.417	29%	0.285	S	S	.	.	S	Bend	trans	-107.1	146.3	180	-64.1	-178.8	-174.2	-179.7	0	109.8	N234 D529 Q530	N234-K533 PolarHBondContact ND2-O 3.29Å; D529-K533 WeakPolarHBondContact O-CD 3.11Å; D529-K533 WeakPolarHBondContact O-CE 3.16Å; D529-K533 WeakPolarHBondContact O-CG 3.25Å; D529-K533 WeakPolarHBondContact OD1-CE 3.14Å; D529-K533 IonicContact OD1-NZ 2.69Å; D529-K533 PolarHBondContact OD1-NZ 2.84Å; D529-K533 WeakPolarHBondContact OD2-CE 3.3Å; D529-K533 IonicContact OD2-NZ 2.89Å; D529-K533 PolarHBondContact OD2-NZ 3.26Å; Q530-K533 PolarHBondContact O-N 2.96Å
534	A	94.5	Very high	92	Very high	71 Å²	71	53.5 Å²	53.5	59%	0.587	28%	0.275	S	S	*	.			trans	-65.4	137.4	169.3	0	0	0	0	0	109.3	N536	A534-N536 PolarHBondContact O-N 3.47Å
535	P	92.9	Very high	92.4	Very high	29 Å²	29	53.1 Å²	53.1	19%	0.188	27%	0.272	C	S	.	.			trans	-52.4	138.3	170.6	-27	36.3	0	0	0	111.4	T226 S231 N232	T226-P535 HydrophobicContact CG2-CB 4.4Å; T226-P535 HydrophobicContact CG2-CG 3.81Å; T226-P535 WeakPolarHBondContact OG1-CB 3.44Å; T226-P535 VanDerWaalsContact OG1-CG 3.27Å; T226-P535 WeakPolarHBondContact OG1-CG 3.37Å; S231-P535 WeakPolarHBondContact O-CG 3.48Å; N232-P535 VanDerWaalsContact C-CD 3.47Å; N232-P535 WeakPolarHBondContact O-CD 3.49Å
536	N	88.1	Confident	92.8	Very high	70 Å²	70	49.2 Å²	49.2	37%	0.374	26%	0.26	S	S	.	.			trans	-113.6	125.9	-179.3	-176.1	-6.8	0	0	0	110	A534 N538 Q539 K555	A534-N536 PolarHBondContact O-N 3.47Å; N536-N538 PolarHBondContact O-N 3.47Å; N536-N538 WeakPolarHBondContact OD1-CB 3.09Å; N536-N538 PolarHBondContact OD1-N 2.95Å; N536-Q539 HydrophobicContact CB-CG 4.03Å; N536-Q539 WeakPolarHBondContact O-CB 3.01Å; N536-Q539 PolarHBondContact O-N 2.94Å; N536-Q539 VanDerWaalsContact O-N 3.1Å; N536-K555 PolarHBondContact O-NZ 3.49Å
537	R	83.2	Confident	93.2	Very high	91 Å²	91	47.1 Å²	47.1	34%	0.343	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.3	175.2	-70.2	-175.2	176	179.7	-3.4	112.1	Y483 M485 Q539 K555	Y483-R537 HydrophobicContact CD1-CB 4.24Å; Y483-R537 HydrophobicContact CE1-CB 4.18Å; M485-R537 WeakPolarHBondContact CE-O 3.03Å; M485-R537 VanDerWaalsContact SD-O 3.38Å; R537-Q539 PolarHBondContact O-N 3.45Å; R537-K555 PolarHBondContact NE-O 2.95Å; R537-K555 PolarHBondContact NH2-O 3.25Å
538	N	86.4	Confident	93.6	Very high	77 Å²	77	49.2 Å²	49.2	41%	0.412	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	2.1	177.6	-62	-35.1	0	0	0	115.2	N536	N536-N538 PolarHBondContact O-N 3.47Å; N536-N538 WeakPolarHBondContact OD1-CB 3.09Å; N536-N538 PolarHBondContact OD1-N 2.95Å
539	Q	89	Confident	93.9	Very high	72 Å²	72	49.5 Å²	49.5	34%	0.336	26%	0.26	S	S	.	.			trans	-93.7	114.5	172.5	-71.9	170.4	-30.4	0	0	110.3	N536 R537 K555	N536-Q539 HydrophobicContact CB-CG 4.03Å; N536-Q539 WeakPolarHBondContact O-CB 3.01Å; N536-Q539 PolarHBondContact O-N 2.94Å; N536-Q539 VanDerWaalsContact O-N 3.1Å; R537-Q539 PolarHBondContact O-N 3.45Å; Q539-K555 PolarHBondContact O-NZ 3.42Å
540	W	93.2	Very high	94.2	Very high	17 Å²	17	47.1 Å²	47.1	6%	0.064	25%	0.245	C	C	.	.			trans	-90	149.1	-178.8	-65.8	33.3	0	0	0	110.9	F427 M485 G487 Y488 P489 M542 Y550 V559 P561	F427-W540 HydrophobicContact CE1-CB 3.97Å; F427-W540 HydrophobicContact CZ-CB 4.05Å; F427-W540 WeakPolarHBondContact CZ-O 3.08Å; M485-W540 HydrophobicContact CB-CH2 4.17Å; M485-W540 HydrophobicContact CB-CZ2 3.51Å; M485-W540 HydrophobicContact CE-CD2 4.07Å; M485-W540 HydrophobicContact CE-CG 3.8Å; M485-W540 HydrophobicContact CE-CZ2 4.48Å; M485-W540 HydrophobicContact CG-CZ2 4.45Å; M485-W540 HydrophobicContact SD-CZ2 4.31Å; M485-W540 PolarHBondContact SD-NE1 3.3Å; G487-W540 VanDerWaalsContact C-CH2 3.5Å; Y488-W540 VanDerWaalsContact CA-CH2 3.45Å; Y488-W540 VanDerWaalsContact N-CH2 3.29Å; P489-W540 HydrophobicContact CB-CD2 4.39Å; P489-W540 HydrophobicContact CB-CG 4.27Å; P489-W540 HydrophobicContact CG-CD2 4.05Å; P489-W540 HydrophobicContact CG-CG 4.01Å; W540-M542 WeakPolarHBondContact CB-O 3.42Å; W540-Y550 WeakPolarHBondContact CA-OH 3.42Å; W540-V559 HydrophobicContact CD2-CG1 3.66Å; W540-V559 HydrophobicContact CE3-CG1 3.27Å; W540-V559 HydrophobicContact CG-CG1 4.44Å; W540-V559 HydrophobicContact CH2-CG1 3.73Å; W540-V559 HydrophobicContact CZ2-CG1 4.13Å; W540-V559 HydrophobicContact CZ3-CG1 3.29Å; W540-P561 HydrophobicContact CZ3-CG 4.44Å
541	S	92.3	Very high	94.4	Very high	89 Å²	89	46.8 Å²	46.8	62%	0.622	24%	0.243	S	C	*	.	S	Bend	trans	-95	-6.7	171.7	-49	0	0	0	0	113	Y550	S541-Y550 PolarHBondContact N-OH 2.78Å
542	M	96.3	Very high	94.5	Very high	41 Å²	41	48 Å²	48	20%	0.202	25%	0.249	C	C	.	.	S	Bend	trans	-125.9	150.1	174.4	-67.3	-174.9	-178.5	0	0	110.4	W540 T546 N548 Y550 P561	W540-M542 WeakPolarHBondContact CB-O 3.42Å; M542-T546 HydrophobicContact CB-CG2 4.38Å; M542-T546 HydrophobicContact CG-CG2 4.39Å; M542-T546 HydrophobicContact SD-CG2 3.89Å; M542-N548 HydrophobicContact CE-CB 4Å; M542-N548 HydrophobicContact SD-CB 3.86Å; M542-Y550 HydrophobicContact CB-CD1 4.33Å; M542-Y550 HydrophobicContact CB-CE1 3.98Å; M542-Y550 HydrophobicContact CE-CD1 3.86Å; M542-Y550 HydrophobicContact CE-CG 4.27Å; M542-Y550 HydrophobicContact CG-CD1 3.75Å; M542-Y550 HydrophobicContact CG-CE1 3.82Å; M542-Y550 HydrophobicContact SD-CD1 3.56Å; M542-Y550 VanDerWaalsContact SD-CD1 3.56Å; M542-Y550 HydrophobicContact SD-CE1 4.17Å; M542-P561 HydrophobicContact CB-CG 4.13Å; M542-P561 HydrophobicContact SD-CG 4.36Å
543	T	97.6	Very high	94.6	Very high	20 Å²	20	43.6 Å²	43.6	12%	0.123	24%	0.237	C	C	.	.			trans	-86.8	152.2	178.6	63	0	0	0	0	109.7	D422 T546	D422-T543 PolarHBondContact OD1-OG1 2.95Å; D422-T543 PolarHBondContact OD2-OG1 3.36Å; T543-T546 WeakPolarHBondContact O-CB 3.23Å; T543-T546 PolarHBondContact O-N 3.37Å; T543-T546 VanDerWaalsContact O-N 3.08Å; T543-T546 PolarHBondContact O-OG1 2.86Å; T543-T546 VanDerWaalsContact O-OG1 3.04Å; T543-T546 PolarHBondContact OG1-OG1 3.19Å; T543-T546 VanDerWaalsContact OG1-OG1 3.08Å
544	P	97.7	Very high	94.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-37.8	179.2	-27.6	34.7	0	0	0	117.2	V434 I492 T546 A562 G563	V434-P544 HydrophobicContact CG2-CB 3.69Å; V434-P544 HydrophobicContact CG2-CG 4.48Å; I492-P544 HydrophobicContact CD1-CG 3.62Å; P544-T546 PolarHBondContact O-N 3.42Å; P544-A562 PolarHBondContact O-N 3.14Å; P544-G563 PolarHBondContact O-N 2.8Å
545	P	97.9	Very high	94.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-6.8	180	30.5	-37	0	0	0	114.4	N138 M142 D422 F433	N138-P545 PolarHBondContact ND2-O 2.89Å; M142-P545 HydrophobicContact CE-CB 4.23Å; M142-P545 HydrophobicContact CG-CB 4.45Å; M142-P545 HydrophobicContact SD-CB 3.59Å; M142-P545 VanDerWaalsContact SD-CB 3.59Å; M142-P545 HydrophobicContact SD-CG 3.73Å; D422-P545 WeakPolarHBondContact OD1-CG 3.41Å; F433-P545 HydrophobicContact CB-CB 4.41Å; F433-P545 HydrophobicContact CD1-CB 3.99Å; F433-P545 HydrophobicContact CD2-CB 3.94Å; F433-P545 HydrophobicContact CE1-CB 4.24Å; F433-P545 HydrophobicContact CE2-CB 4.19Å; F433-P545 HydrophobicContact CG-CB 3.84Å; F433-P545 HydrophobicContact CZ-CB 4.34Å
546	T	98.1	Very high	95	Very high	28 Å²	28	35.9 Å²	35.9	17%	0.172	19%	0.189	C	C	.	.			trans	-61.1	135.1	-178.4	-63.7	0	0	0	0	111.2	M542 T543 P544 N548 P561 G563 I564	M542-T546 HydrophobicContact CB-CG2 4.38Å; M542-T546 HydrophobicContact CG-CG2 4.39Å; M542-T546 HydrophobicContact SD-CG2 3.89Å; T543-T546 WeakPolarHBondContact O-CB 3.23Å; T543-T546 PolarHBondContact O-N 3.37Å; T543-T546 VanDerWaalsContact O-N 3.08Å; T543-T546 PolarHBondContact O-OG1 2.86Å; T543-T546 VanDerWaalsContact O-OG1 3.04Å; T543-T546 PolarHBondContact OG1-OG1 3.19Å; T543-T546 VanDerWaalsContact OG1-OG1 3.08Å; P544-T546 PolarHBondContact O-N 3.42Å; T546-N548 HydrophobicContact CG2-CB 3.75Å; T546-N548 PolarHBondContact O-N 3.32Å; T546-P561 WeakPolarHBondContact O-CB 3.36Å; T546-G563 CarbonylContact O-C 3.29Å; T546-G563 WeakPolarHBondContact O-CA 3.45Å; T546-I564 PolarHBondContact O-N 3.42Å
547	V	97.9	Very high	95.5	Very high	17 Å²	17	32.6 Å²	32.6	10%	0.103	17%	0.171	C	C	.	.	S	Bend	trans	-96.9	74.7	173.2	-173.7	0	0	0	0	109	F131 L134 W135 N138 I564 F569	F131-V547 HydrophobicContact CD1-CG1 4.16Å; L134-V547 HydrophobicContact CB-CG1 4.15Å; L134-V547 HydrophobicContact CB-CG2 4.29Å; L134-V547 HydrophobicContact CD2-CG1 3.74Å; L134-V547 HydrophobicContact CD2-CG2 4.25Å; L134-V547 HydrophobicContact CG-CG1 4.04Å; L134-V547 HydrophobicContact CG-CG2 3.83Å; W135-V547 HydrophobicContact CB-CG2 4.28Å; W135-V547 HydrophobicContact CE3-CG2 4.28Å; N138-V547 VanDerWaalsContact ND2-CG2 3.28Å; N138-V547 WeakPolarHBondContact ND2-CG2 3.32Å; V547-I564 HydrophobicContact CG1-CG1 4.38Å; V547-F569 HydrophobicContact CG1-CE2 4.31Å
548	N	97.3	Very high	96.1	Very high	73 Å²	73	28.3 Å²	28.3	39%	0.39	16%	0.155	S	C	.	.			trans	-162.1	-179.7	177.8	-152.7	-6.4	0	0	0	109.8	M542 T546 P561 I564	M542-N548 HydrophobicContact CE-CB 4Å; M542-N548 HydrophobicContact SD-CB 3.86Å; T546-N548 HydrophobicContact CG2-CB 3.75Å; T546-N548 PolarHBondContact O-N 3.32Å; N548-P561 VanDerWaalsContact O-CD 3.25Å; N548-P561 WeakPolarHBondContact O-CD 3.22Å; N548-I564 WeakPolarHBondContact O-CG2 3.48Å
549	A	97.5	Very high	96.6	Very high	6 Å²	6	24.7 Å²	24.7	5%	0.05	14%	0.136	C	C	.	.			trans	-140.9	168.3	165.6	0	0	0	0	0	109.2	V559 V586 E590	A549-V559 WeakPolarHBondContact CA-O 3.4Å; A549-V586 HydrophobicContact CB-CG1 3.71Å; A549-E590 HydrophobicContact CB-CG 3.8Å; A549-E590 WeakPolarHBondContact CB-OE1 3.4Å
550	Y	97.9	Very high	97	Very high	26 Å²	26	21.2 Å²	21.2	10%	0.102	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	157.8	173.4	71.7	-83.7	0	0	0	113.7	W540 S541 M542 N552 M558 V559 E590	W540-Y550 WeakPolarHBondContact CA-OH 3.42Å; S541-Y550 PolarHBondContact N-OH 2.78Å; M542-Y550 HydrophobicContact CB-CD1 4.33Å; M542-Y550 HydrophobicContact CB-CE1 3.98Å; M542-Y550 HydrophobicContact CE-CD1 3.86Å; M542-Y550 HydrophobicContact CE-CG 4.27Å; M542-Y550 HydrophobicContact CG-CD1 3.75Å; M542-Y550 HydrophobicContact CG-CE1 3.82Å; M542-Y550 HydrophobicContact SD-CD1 3.56Å; M542-Y550 VanDerWaalsContact SD-CD1 3.56Å; M542-Y550 HydrophobicContact SD-CE1 4.17Å; Y550-N552 HydrophobicContact CD2-CB 4.43Å; Y550-N552 HydrophobicContact CE2-CB 4.21Å; Y550-M558 CarbonylContact O-C 3.55Å; Y550-M558 WeakPolarHBondContact O-CA 3.36Å; Y550-V559 HydrophobicContact CD1-CB 3.81Å; Y550-V559 HydrophobicContact CD1-CG1 4.36Å; Y550-V559 HydrophobicContact CD1-CG2 4.43Å; Y550-V559 HydrophobicContact CE1-CB 3.33Å; Y550-V559 HydrophobicContact CE1-CG1 3.61Å; Y550-V559 HydrophobicContact CE1-CG2 3.72Å; Y550-V559 HydrophobicContact CE2-CB 4.24Å; Y550-V559 HydrophobicContact CE2-CG2 3.8Å; Y550-V559 HydrophobicContact CG-CB 4.46Å; Y550-V559 PolarHBondContact N-O 3.46Å; Y550-V559 PolarHBondContact O-N 3.29Å; Y550-V559 VanDerWaalsContact OH-CG2 3.29Å; Y550-V559 WeakPolarHBondContact OH-CG2 3.47Å; Y550-E590 WeakPolarHBondContact CA-OE2 3.47Å
551	Y	98.4	Very high	97.2	Very high	27 Å²	27	20.4 Å²	20.4	11%	0.106	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141	164.7	176.2	-102.4	0	0	0	111.2	P553 N556 E557 E590 H593 A594	Y551-P553 VanDerWaalsContact CE1-CA 3.49Å; Y551-P553 HydrophobicContact CE1-CB 3.98Å; Y551-N556 PolarHBondContact OH-OD1 3.12Å; Y551-E557 CarbonylContact C-O 3.55Å; Y551-E557 WeakPolarHBondContact CA-O 3.48Å; Y551-E557 VanDerWaalsContact CD2-O 3.29Å; Y551-E557 WeakPolarHBondContact CD2-O 3.37Å; Y551-E590 PolarHBondContact N-OE2 3.35Å; Y551-H593 HydrophobicContact CD1-CB 3.72Å; Y551-H593 HydrophobicContact CG-CB 3.8Å; Y551-A594 HydrophobicContact CD2-CB 4.36Å; Y551-A594 HydrophobicContact CE1-CB 4.12Å; Y551-A594 HydrophobicContact CE2-CB 3.61Å; Y551-A594 VanDerWaalsContact CZ-CA 3.41Å; Y551-A594 VanDerWaalsContact CZ-CB 3.46Å; Y551-A594 WeakPolarHBondContact OH-CB 3.47Å
552	N	97.8	Very high	97.4	Very high	30 Å²	30	16.2 Å²	16.2	16%	0.16	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.9	172.6	-174	-46.6	0	0	0	110.5	Y550 T554 K555 N556 E557	Y550-N552 HydrophobicContact CD2-CB 4.43Å; Y550-N552 HydrophobicContact CE2-CB 4.21Å; N552-T554 PolarHBondContact O-N 3.23Å; N552-T554 PolarHBondContact OD1-N 3.11Å; N552-T554 PolarHBondContact OD1-OG1 2.86Å; N552-K555 HydrophobicContact CB-CB 4.32Å; N552-K555 PolarHBondContact O-N 3.06Å; N552-K555 PolarHBondContact OD1-N 2.96Å; N552-N556 WeakPolarHBondContact O-CA 3.33Å; N552-N556 PolarHBondContact O-N 2.98Å; N552-E557 PolarHBondContact N-O 3.07Å; N552-E557 PolarHBondContact O-N 3.15Å
553	P	97.7	Very high	97.4	Very high	36 Å²	36	14.3 Å²	14.3	23%	0.234	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-41.2	-176.5	23.4	-32.4	0	0	0	113.1	Y551 K555 N556 Y602 G606	Y551-P553 VanDerWaalsContact CE1-CA 3.49Å; Y551-P553 HydrophobicContact CE1-CB 3.98Å; P553-K555 VanDerWaalsContact C-N 3.27Å; P553-K555 PolarHBondContact O-N 3.23Å; P553-N556 PolarHBondContact O-N 2.87Å; P553-Y602 HydrophobicContact CB-CD1 3.94Å; P553-Y602 HydrophobicContact CB-CD2 3.57Å; P553-Y602 HydrophobicContact CB-CE1 4.11Å; P553-Y602 HydrophobicContact CB-CE2 3.78Å; P553-Y602 HydrophobicContact CB-CG 3.65Å; P553-Y602 HydrophobicContact CG-CD2 4.43Å; P553-Y602 HydrophobicContact CG-CE1 4.45Å; P553-Y602 HydrophobicContact CG-CE2 4.15Å; P553-G606 WeakPolarHBondContact O-CA 3.33Å
554	T	97.3	Very high	97.4	Very high	15 Å²	15	13.4 Å²	13.4	9%	0.092	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-22.3	-177.2	61.2	0	0	0	0	114	T226 S231 N552 Y602 G606	T226-T554 HydrophobicContact CG2-CG2 4.09Å; S231-T554 VanDerWaalsContact CB-O 3.27Å; S231-T554 WeakPolarHBondContact CB-O 3.12Å; N552-T554 PolarHBondContact O-N 3.23Å; N552-T554 PolarHBondContact OD1-N 3.11Å; N552-T554 PolarHBondContact OD1-OG1 2.86Å; T554-Y602 HydrophobicContact CG2-CE1 3.94Å; T554-G606 WeakPolarHBondContact CA-O 3.39Å
555	K	96.7	Very high	97.3	Very high	19 Å²	19	13.8 Å²	13.8	8%	0.083	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-12.1	174.9	-64.8	-176	-178.2	-169.2	0	113	N536 R537 Q539 N552 P553 E557	N536-K555 PolarHBondContact O-NZ 3.49Å; R537-K555 PolarHBondContact NE-O 2.95Å; R537-K555 PolarHBondContact NH2-O 3.25Å; Q539-K555 PolarHBondContact O-NZ 3.42Å; N552-K555 HydrophobicContact CB-CB 4.32Å; N552-K555 PolarHBondContact O-N 3.06Å; N552-K555 PolarHBondContact OD1-N 2.96Å; P553-K555 VanDerWaalsContact C-N 3.27Å; P553-K555 PolarHBondContact O-N 3.23Å; K555-E557 VanDerWaalsContact C-N 3.31Å; K555-E557 HydrophobicContact CB-CB 3.71Å; K555-E557 VanDerWaalsContact CD-OE2 3.23Å; K555-E557 WeakPolarHBondContact CD-OE2 3.38Å
556	N	97.9	Very high	97.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	57.6	-165.3	-167.4	32.1	0	0	0	110.8	K478 I482 Y483 Y551 N552 P553 K604	K478-N556 PolarHBondContact O-ND2 3.34Å; I482-N556 WeakPolarHBondContact CA-O 3.49Å; I482-N556 WeakPolarHBondContact CG1-OD1 3.23Å; Y483-N556 PolarHBondContact N-O 3.42Å; Y551-N556 PolarHBondContact OH-OD1 3.12Å; N552-N556 WeakPolarHBondContact O-CA 3.33Å; N552-N556 PolarHBondContact O-N 2.98Å; P553-N556 PolarHBondContact O-N 2.87Å; N556-K604 PolarHBondContact ND2-O 3.28Å; N556-K604 VanDerWaalsContact ND2-O 3.1Å
557	E	96.8	Very high	96.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.7	-166.5	172.7	177.6	-110.1	0	0	111.4	Y483 M485 Y551 N552 K555 V559	Y483-E557 HydrophobicContact CD1-CG 4.08Å; Y483-E557 WeakPolarHBondContact CD1-OE1 3.4Å; Y483-E557 CarbonylContact O-C 3.13Å; Y483-E557 WeakPolarHBondContact O-CA 3.5Å; M485-E557 HydrophobicContact CE-CG 4.03Å; M485-E557 WeakPolarHBondContact CE-OE1 3.32Å; M485-E557 WeakPolarHBondContact CE-OE2 3.28Å; M485-E557 HydrophobicContact CG-CG 4.3Å; M485-E557 WeakPolarHBondContact CG-OE1 3.44Å; Y551-E557 CarbonylContact C-O 3.55Å; Y551-E557 WeakPolarHBondContact CA-O 3.48Å; Y551-E557 VanDerWaalsContact CD2-O 3.29Å; Y551-E557 WeakPolarHBondContact CD2-O 3.37Å; N552-E557 PolarHBondContact N-O 3.07Å; N552-E557 PolarHBondContact O-N 3.15Å; K555-E557 VanDerWaalsContact C-N 3.31Å; K555-E557 HydrophobicContact CB-CB 3.71Å; K555-E557 VanDerWaalsContact CD-OE2 3.23Å; K555-E557 WeakPolarHBondContact CD-OE2 3.38Å; E557-V559 HydrophobicContact CG-CG2 3.93Å
558	M	96.1	Very high	96.4	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.7	167.4	77.4	174.2	69	0	0	111	V450 I482 Y483 N484 M485 Y550 L560 E590 L591	V450-M558 HydrophobicContact CG1-SD 4.05Å; I482-M558 HydrophobicContact CG2-CE 3.9Å; Y483-M558 PolarHBondContact O-N 3.26Å; N484-M558 HydrophobicContact CB-CG 4.26Å; N484-M558 WeakPolarHBondContact OD1-CE 3.16Å; N484-M558 VanDerWaalsContact OD1-CG 3.24Å; N484-M558 WeakPolarHBondContact OD1-CG 3.33Å; N484-M558 PolarHBondContact OD1-SD 3.01Å; M485-M558 PolarHBondContact N-O 3.48Å; Y550-M558 CarbonylContact O-C 3.55Å; Y550-M558 WeakPolarHBondContact O-CA 3.36Å; M558-L560 HydrophobicContact CG-CD1 4.34Å; M558-L560 HydrophobicContact SD-CD1 4.15Å; M558-E590 HydrophobicContact CB-CB 3.91Å; M558-E590 HydrophobicContact SD-CB 4.45Å; M558-L591 HydrophobicContact CE-CB 3.84Å; M558-L591 HydrophobicContact CE-CD1 3.69Å; M558-L591 HydrophobicContact CE-CG 4.38Å
559	V	97.2	Very high	96.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.3	-175.9	-174.8	0	0	0	0	111.1	M485 W540 A549 Y550 E557	M485-V559 HydrophobicContact CB-CB 4.46Å; M485-V559 HydrophobicContact CB-CG1 4.22Å; M485-V559 HydrophobicContact CB-CG2 4.08Å; M485-V559 HydrophobicContact CE-CB 4.45Å; M485-V559 HydrophobicContact CE-CG1 4.31Å; M485-V559 HydrophobicContact CE-CG2 3.34Å; M485-V559 HydrophobicContact CG-CG2 4.49Å; M485-V559 CarbonylContact O-C 2.98Å; M485-V559 WeakPolarHBondContact O-CA 3.49Å; W540-V559 HydrophobicContact CD2-CG1 3.66Å; W540-V559 HydrophobicContact CE3-CG1 3.27Å; W540-V559 HydrophobicContact CG-CG1 4.44Å; W540-V559 HydrophobicContact CH2-CG1 3.73Å; W540-V559 HydrophobicContact CZ2-CG1 4.13Å; W540-V559 HydrophobicContact CZ3-CG1 3.29Å; A549-V559 WeakPolarHBondContact CA-O 3.4Å; Y550-V559 HydrophobicContact CD1-CB 3.81Å; Y550-V559 HydrophobicContact CD1-CG1 4.36Å; Y550-V559 HydrophobicContact CD1-CG2 4.43Å; Y550-V559 HydrophobicContact CE1-CB 3.33Å; Y550-V559 HydrophobicContact CE1-CG1 3.61Å; Y550-V559 HydrophobicContact CE1-CG2 3.72Å; Y550-V559 HydrophobicContact CE2-CB 4.24Å; Y550-V559 HydrophobicContact CE2-CG2 3.8Å; Y550-V559 HydrophobicContact CG-CB 4.46Å; Y550-V559 PolarHBondContact N-O 3.46Å; Y550-V559 PolarHBondContact O-N 3.29Å; Y550-V559 VanDerWaalsContact OH-CG2 3.29Å; Y550-V559 WeakPolarHBondContact OH-CG2 3.47Å; E557-V559 HydrophobicContact CG-CG2 3.93Å
560	L	96.9	Very high	96	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	92.9	178.1	-62	112.5	0	0	0	109.7	V450 M485 V486 G487 M558 I583 M587	V450-L560 HydrophobicContact CG2-CD1 4.13Å; M485-L560 PolarHBondContact O-N 2.95Å; V486-L560 HydrophobicContact CG2-CD1 4.29Å; G487-L560 PolarHBondContact N-O 3.38Å; M558-L560 HydrophobicContact CG-CD1 4.34Å; M558-L560 HydrophobicContact SD-CD1 4.15Å; L560-I583 HydrophobicContact CD2-CD1 4.13Å; L560-I583 HydrophobicContact CD2-CG1 4.47Å; L560-M587 HydrophobicContact CD1-CG 4.38Å; L560-M587 HydrophobicContact CD2-CE 4.21Å; L560-M587 HydrophobicContact CD2-CG 3.58Å
561	P	97.4	Very high	95.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	149.3	172.8	-25.2	32.8	0	0	0	114.2	W540 M542 T546 N548 G563 I564	W540-P561 HydrophobicContact CZ3-CG 4.44Å; M542-P561 HydrophobicContact CB-CG 4.13Å; M542-P561 HydrophobicContact SD-CG 4.36Å; T546-P561 WeakPolarHBondContact O-CB 3.36Å; N548-P561 VanDerWaalsContact O-CD 3.25Å; N548-P561 WeakPolarHBondContact O-CD 3.22Å; P561-G563 PolarHBondContact O-N 2.97Å; P561-G563 VanDerWaalsContact O-N 3.14Å; P561-I564 WeakPolarHBondContact O-CG2 3.29Å; P561-I564 PolarHBondContact O-N 3.41Å
562	A	96.8	Very high	95.4	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.008	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-56	-31.5	175.3	0	0	0	0	0	112.3	F433 V434 F438 G487 P544 I564 L565	F433-A562 HydrophobicContact CE1-CB 4.4Å; V434-A562 HydrophobicContact CG2-CB 3.98Å; F438-A562 HydrophobicContact CB-CB 4.35Å; F438-A562 HydrophobicContact CD2-CB 3.58Å; F438-A562 HydrophobicContact CE2-CB 3.98Å; F438-A562 HydrophobicContact CG-CB 3.95Å; G487-A562 PolarHBondContact O-N 3.49Å; P544-A562 PolarHBondContact O-N 3.14Å; A562-I564 VanDerWaalsContact C-N 3.3Å; A562-I564 PolarHBondContact O-N 3Å; A562-L565 PolarHBondContact O-N 3.13Å; A562-L565 VanDerWaalsContact O-N 3.15Å
563	G	97	Very high	95	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-58.7	-33.5	-179.2	0	0	0	0	0	114.5	L134 N138 P544 T546 P561 Q566	L134-G563 WeakPolarHBondContact CD2-O 3.36Å; N138-G563 WeakPolarHBondContact ND2-CA 3.34Å; N138-G563 PolarHBondContact ND2-O 3.48Å; P544-G563 PolarHBondContact O-N 2.8Å; T546-G563 CarbonylContact O-C 3.29Å; T546-G563 WeakPolarHBondContact O-CA 3.45Å; P561-G563 PolarHBondContact O-N 2.97Å; P561-G563 VanDerWaalsContact O-N 3.14Å; G563-Q566 PolarHBondContact O-NE2 2.83Å
564	I	96.8	Very high	94.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-89	-16.5	177.2	-163	163.3	0	0	0	113.4	F131 T546 V547 N548 P561 A562 Q566 F569 I583 V586	F131-I564 HydrophobicContact CE1-CD1 4.18Å; T546-I564 PolarHBondContact O-N 3.42Å; V547-I564 HydrophobicContact CG1-CG1 4.38Å; N548-I564 WeakPolarHBondContact O-CG2 3.48Å; P561-I564 WeakPolarHBondContact O-CG2 3.29Å; P561-I564 PolarHBondContact O-N 3.41Å; A562-I564 VanDerWaalsContact C-N 3.3Å; A562-I564 PolarHBondContact O-N 3Å; I564-Q566 PolarHBondContact O-N 3.31Å; I564-F569 HydrophobicContact CD1-CD1 4.29Å; I564-F569 HydrophobicContact CD1-CE1 4.23Å; I564-F569 HydrophobicContact CG1-CB 4.47Å; I564-F569 HydrophobicContact CG1-CD1 4.13Å; I564-F569 HydrophobicContact CG1-CD2 4.08Å; I564-F569 HydrophobicContact CG1-CE1 4.36Å; I564-F569 HydrophobicContact CG1-CE2 4.36Å; I564-F569 HydrophobicContact CG1-CG 3.97Å; I564-F569 WeakPolarHBondContact O-CB 3.23Å; I564-I583 HydrophobicContact CG1-CD1 4.33Å; I564-I583 HydrophobicContact CG2-CD1 4.22Å; I564-V586 HydrophobicContact CD1-CG1 4.32Å
565	L	95.5	Very high	94.7	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.042	12%	0.117	C	C	.	.	S	Bend	trans	-79.3	51.5	-179.9	-64.3	174.1	0	0	0	111.8	F438 A446 V486 A562 Y570 I583	F438-L565 HydrophobicContact CE2-CB 3.96Å; F438-L565 HydrophobicContact CE2-CD1 3.64Å; F438-L565 HydrophobicContact CE2-CG 4.45Å; F438-L565 HydrophobicContact CZ-CD1 3.8Å; A446-L565 HydrophobicContact CB-CD1 4.4Å; A446-L565 HydrophobicContact CB-CD2 4.15Å; V486-L565 HydrophobicContact CG1-CD1 3.72Å; A562-L565 PolarHBondContact O-N 3.13Å; A562-L565 VanDerWaalsContact O-N 3.15Å; L565-Y570 HydrophobicContact CB-CD1 4.49Å; L565-Y570 WeakPolarHBondContact O-CD1 3.41Å; L565-I583 HydrophobicContact CD2-CD1 3.9Å; L565-I583 HydrophobicContact CD2-CG1 3.86Å
566	Q	94	Very high	94.7	Very high	39 Å²	39	23.4 Å²	23.4	18%	0.182	12%	0.122	C	C	.	.	S	Bend	trans	-144.9	167.5	-175.7	-63	-178.7	75	0	0	110.2	L134 N138 G563 I564 F569 Y570	L134-Q566 HydrophobicContact CD1-CB 3.86Å; L134-Q566 HydrophobicContact CD2-CB 4.07Å; N138-Q566 PolarHBondContact OD1-NE2 2.89Å; G563-Q566 PolarHBondContact O-NE2 2.83Å; I564-Q566 PolarHBondContact O-N 3.31Å; Q566-F569 WeakPolarHBondContact O-CB 3.41Å; Q566-F569 PolarHBondContact O-N 3.32Å; Q566-Y570 CarbonylContact C-O 3.58Å; Q566-Y570 PolarHBondContact O-N 3.02Å
567	A	91.7	Very high	94.7	Very high	49 Å²	49	23.4 Å²	23.4	41%	0.405	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	141.2	175.8	0	0	0	0	0	110.6	Y570 W574	A567-Y570 PolarHBondContact N-O 2.99Å; A567-W574 HydrophobicContact CB-CH2 3.56Å; A567-W574 HydrophobicContact CB-CZ2 3.68Å; A567-W574 HydrophobicContact CB-CZ3 4.35Å
568	P	89.8	Confident	94.7	Very high	51 Å²	51	23.8 Å²	23.8	33%	0.331	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.8	10.5	6.9	37	-35.4	0	0	0	115.6	P130 W574	P130-P568 HydrophobicContact CB-CG 3.72Å; P130-P568 HydrophobicContact CG-CG 4.31Å; P568-W574 HydrophobicContact CB-CH2 4.08Å; P568-W574 HydrophobicContact CB-CZ3 4.28Å; P568-W574 WeakPolarHBondContact O-CZ3 3.35Å
569	F	93.4	Very high	94.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-42.2	179.1	-58.1	-92	0	0	0	111.5	P130 F131 L134 V547 I564 Q566 I583 V586 V695	P130-F569 HydrophobicContact CB-CZ 4.49Å; F131-F569 HydrophobicContact CD1-CE1 4.3Å; F131-F569 AromaticContact CD1-CZ 3.7Å; F131-F569 HydrophobicContact CD1-CZ 3.7Å; F131-F569 HydrophobicContact CD2-CE1 4.44Å; F131-F569 AromaticContact CD2-CZ 3.89Å; F131-F569 HydrophobicContact CD2-CZ 3.89Å; F131-F569 AromaticContact CE1-CE1 3.69Å; F131-F569 HydrophobicContact CE1-CE1 3.69Å; F131-F569 AromaticContact CE1-CZ 3.56Å; F131-F569 HydrophobicContact CE1-CZ 3.56Å; F131-F569 AromaticContact CE2-CE1 3.84Å; F131-F569 HydrophobicContact CE2-CE1 3.84Å; F131-F569 AromaticContact CE2-CZ 3.76Å; F131-F569 HydrophobicContact CE2-CZ 3.76Å; F131-F569 AromaticContact CG-CZ 3.87Å; F131-F569 HydrophobicContact CG-CZ 3.87Å; F131-F569 AromaticContact CZ-CE1 3.43Å; F131-F569 HydrophobicContact CZ-CE1 3.43Å; F131-F569 VanDerWaalsContact CZ-CE1 3.43Å; F131-F569 AromaticContact CZ-CZ 3.61Å; F131-F569 HydrophobicContact CZ-CZ 3.61Å; L134-F569 HydrophobicContact CD2-CD2 3.75Å; L134-F569 HydrophobicContact CD2-CE2 3.78Å; V547-F569 HydrophobicContact CG1-CE2 4.31Å; I564-F569 HydrophobicContact CD1-CD1 4.29Å; I564-F569 HydrophobicContact CD1-CE1 4.23Å; I564-F569 HydrophobicContact CG1-CB 4.47Å; I564-F569 HydrophobicContact CG1-CD1 4.13Å; I564-F569 HydrophobicContact CG1-CD2 4.08Å; I564-F569 HydrophobicContact CG1-CE1 4.36Å; I564-F569 HydrophobicContact CG1-CE2 4.36Å; I564-F569 HydrophobicContact CG1-CG 3.97Å; I564-F569 WeakPolarHBondContact O-CB 3.23Å; Q566-F569 WeakPolarHBondContact O-CB 3.41Å; Q566-F569 PolarHBondContact O-N 3.32Å; F569-I583 HydrophobicContact CB-CB 4.31Å; F569-I583 HydrophobicContact CB-CD1 4.29Å; F569-I583 WeakPolarHBondContact O-CB 3.44Å; F569-I583 PolarHBondContact O-N 3.12Å; F569-V586 HydrophobicContact CD1-CG2 4.3Å; F569-V695 HydrophobicContact CD1-CG1 3.78Å; F569-V695 HydrophobicContact CD1-CG2 4.11Å; F569-V695 HydrophobicContact CE1-CB 4.4Å; F569-V695 HydrophobicContact CE1-CG1 3.25Å; F569-V695 HydrophobicContact CE1-CG2 4.32Å; F569-V695 HydrophobicContact CZ-CG1 4.04Å
570	Y	93.9	Very high	94.8	Very high	6 Å²	6	23.8 Å²	23.8	2%	0.024	12%	0.124	C	C	.	.			trans	-144.3	139	-173.9	172	-102.9	0	0	0	112	I445 M449 L565 Q566 A567 N579 I583	I445-Y570 WeakPolarHBondContact CB-OH 3.33Å; I445-Y570 HydrophobicContact CG2-CE2 3.94Å; I445-Y570 WeakPolarHBondContact CG2-OH 3.41Å; M449-Y570 HydrophobicContact SD-CE2 4.46Å; L565-Y570 HydrophobicContact CB-CD1 4.49Å; L565-Y570 WeakPolarHBondContact O-CD1 3.41Å; Q566-Y570 CarbonylContact C-O 3.58Å; Q566-Y570 PolarHBondContact O-N 3.02Å; A567-Y570 PolarHBondContact N-O 2.99Å; Y570-N579 WeakPolarHBondContact CA-OD1 3.04Å; Y570-I583 HydrophobicContact CD2-CG2 3.95Å; Y570-I583 HydrophobicContact CG-CG2 4.34Å
571	S	92.8	Very high	94.9	Very high	23 Å²	23	23.8 Å²	23.8	16%	0.161	12%	0.124	C	C	.	.			trans	-152.2	134.7	159.8	170.8	0	0	0	0	110	S573 W574 N579	S571-S573 PolarHBondContact O-N 3.35Å; S571-S573 VanDerWaalsContact O-N 3.11Å; S571-S573 PolarHBondContact OG-N 2.91Å; S571-S573 PolarHBondContact OG-OG 3.23Å; S571-S573 VanDerWaalsContact OG-OG 3.04Å; S571-W574 VanDerWaalsContact CB-CG 3.47Å; S571-W574 PolarHBondContact O-N 3.42Å; S571-N579 PolarHBondContact N-OD1 3.37Å; S571-N579 PolarHBondContact O-ND2 3.49Å; S571-N579 PolarHBondContact O-OD1 2.86Å
572	R	89.9	Confident	94.9	Very high	157 Å²	157	24 Å²	24	59%	0.592	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.9	176.9	69.2	179.7	-174.5	177.6	-0.9	113.8	D441 I445	D441-R572 IonicContact OD1-NH1 3.52Å; D441-R572 IonicContact OD2-CZ 2.78Å; D441-R572 IonicContact OD2-NH1 3.88Å; D441-R572 PolarHBondContact OD2-NH1 3.07Å; I445-R572 HydrophobicContact CD1-CB 4.17Å
573	S	89.9	Confident	94.9	Very high	55 Å²	55	23.9 Å²	23.9	39%	0.385	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-0.1	-175.6	59.7	0	0	0	0	113.8	S571	S571-S573 PolarHBondContact O-N 3.35Å; S571-S573 VanDerWaalsContact O-N 3.11Å; S571-S573 PolarHBondContact OG-N 2.91Å; S571-S573 PolarHBondContact OG-OG 3.23Å; S571-S573 VanDerWaalsContact OG-OG 3.04Å
574	W	92.4	Very high	95	Very high	50 Å²	50	23.9 Å²	23.9	19%	0.189	13%	0.126	C	C	.	.	S	Bend	trans	-89.8	156.3	178.8	-71.2	3.9	0	0	0	111.9	V89 A567 P568 S571 K576 L578 N579	V89-W574 HydrophobicContact CB-CD2 4.43Å; V89-W574 HydrophobicContact CB-CZ2 4.37Å; V89-W574 HydrophobicContact CG2-CD2 3.85Å; V89-W574 HydrophobicContact CG2-CE3 4.15Å; V89-W574 HydrophobicContact CG2-CG 4.36Å; V89-W574 HydrophobicContact CG2-CH2 4.06Å; V89-W574 HydrophobicContact CG2-CZ2 3.82Å; V89-W574 HydrophobicContact CG2-CZ3 4.24Å; A567-W574 HydrophobicContact CB-CH2 3.56Å; A567-W574 HydrophobicContact CB-CZ2 3.68Å; A567-W574 HydrophobicContact CB-CZ3 4.35Å; P568-W574 HydrophobicContact CB-CH2 4.08Å; P568-W574 HydrophobicContact CB-CZ3 4.28Å; P568-W574 WeakPolarHBondContact O-CZ3 3.35Å; S571-W574 VanDerWaalsContact CB-CG 3.47Å; S571-W574 PolarHBondContact O-N 3.42Å; W574-K576 PolarHBondContact O-N 3.41Å; W574-L578 HydrophobicContact CE3-CB 4.36Å; W574-L578 HydrophobicContact CE3-CD1 4.35Å; W574-N579 PolarHBondContact O-ND2 2.94Å
575	P	95.3	Very high	95.1	Very high	7 Å²	7	24.1 Å²	24.1	5%	0.045	13%	0.127	C	C	.	.			trans	-51	139.5	169.6	-24.7	32.9	0	0	0	111.4	A577 L578 N579 L677 L687	P575-A577 PolarHBondContact O-N 3.24Å; P575-L578 PolarHBondContact O-N 3.46Å; P575-N579 PolarHBondContact O-N 3.11Å; P575-L677 HydrophobicContact CG-CD1 4.3Å; P575-L677 HydrophobicContact CG-CD2 3.68Å; P575-L677 HydrophobicContact CG-CG 3.97Å; P575-L687 HydrophobicContact CB-CD2 4.49Å
576	K	96.6	Very high	95.2	Very high	43 Å²	43	24.6 Å²	24.6	19%	0.187	13%	0.13	C	C	.	.	H	α-helix	trans	-58.5	-31.6	176.3	-63.5	-65.3	-173.3	174.1	0	111.7	W574 L578 N579 F580 Y664 W667 E674	W574-K576 PolarHBondContact O-N 3.41Å; K576-L578 VanDerWaalsContact C-N 3.25Å; K576-L578 PolarHBondContact O-N 3.26Å; K576-N579 PolarHBondContact O-N 3.15Å; K576-N579 VanDerWaalsContact O-N 3.16Å; K576-F580 HydrophobicContact CB-CD2 4.04Å; K576-F580 HydrophobicContact CB-CE2 4.2Å; K576-F580 WeakPolarHBondContact O-CB 3.5Å; K576-F580 VanDerWaalsContact O-CD2 3.31Å; K576-F580 WeakPolarHBondContact O-CD2 3.19Å; K576-F580 PolarHBondContact O-N 3.27Å; K576-Y664 HydrophobicContact CB-CE2 4.32Å; K576-W667 HydrophobicContact CB-CD2 4.32Å; K576-W667 HydrophobicContact CB-CE3 4.29Å; K576-W667 HydrophobicContact CB-CH2 4.44Å; K576-W667 HydrophobicContact CB-CZ2 4.46Å; K576-W667 HydrophobicContact CB-CZ3 4.37Å; K576-W667 HydrophobicContact CD-CZ2 4.47Å; K576-W667 HydrophobicContact CG-CD2 4.16Å; K576-W667 HydrophobicContact CG-CE3 4.4Å; K576-W667 HydrophobicContact CG-CH2 3.88Å; K576-W667 HydrophobicContact CG-CZ2 3.58Å; K576-W667 HydrophobicContact CG-CZ3 4.28Å; K576-E674 WeakPolarHBondContact CA-OE2 3.28Å; K576-E674 VanDerWaalsContact CB-OE2 3.3Å; K576-E674 WeakPolarHBondContact CB-OE2 3.42Å; K576-E674 WeakPolarHBondContact CG-OE1 3.49Å; K576-E674 PolarHBondContact N-OE1 3.24Å; K576-E674 PolarHBondContact N-OE2 2.98Å
577	A	97.6	Very high	95.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-49.4	-44.5	170.9	0	0	0	0	0	113.5	P575 G581 Y664 E674 N684 L687 F688	P575-A577 PolarHBondContact O-N 3.24Å; A577-G581 PolarHBondContact O-N 3.13Å; A577-Y664 HydrophobicContact CB-CE1 4.3Å; A577-Y664 HydrophobicContact CB-CE2 4.09Å; A577-E674 PolarHBondContact N-OE2 3.31Å; A577-N684 HydrophobicContact CB-CB 4.02Å; A577-N684 WeakPolarHBondContact CB-O 3.09Å; A577-L687 HydrophobicContact CB-CB 4.41Å; A577-L687 HydrophobicContact CB-CD2 4.28Å; A577-L687 HydrophobicContact CB-CG 4.44Å; A577-F688 WeakPolarHBondContact O-CA 3.42Å
578	L	97.6	Very high	95.7	Very high	8 Å²	8	20.4 Å²	20.4	4%	0.042	10%	0.102	C	C	.	.	H	α-helix	trans	-75.7	-40	178.5	-72	178.2	0	0	0	112.1	V89 W574 P575 K576 G581 G582 L677 L687	V89-L578 HydrophobicContact CG1-CD1 4.22Å; V89-L578 HydrophobicContact CG2-CD1 3.46Å; V89-L578 VanDerWaalsContact CG2-CD1 3.46Å; W574-L578 HydrophobicContact CE3-CB 4.36Å; W574-L578 HydrophobicContact CE3-CD1 4.35Å; P575-L578 PolarHBondContact O-N 3.46Å; K576-L578 VanDerWaalsContact C-N 3.25Å; K576-L578 PolarHBondContact O-N 3.26Å; L578-G581 PolarHBondContact O-N 3.48Å; L578-G582 PolarHBondContact O-N 2.67Å; L578-L677 HydrophobicContact CD1-CD1 4.28Å; L578-L687 HydrophobicContact CD1-CD2 4.45Å; L578-L687 HydrophobicContact CD2-CD1 3.73Å; L578-L687 HydrophobicContact CD2-CD2 4.38Å; L578-L687 HydrophobicContact CD2-CG 3.74Å; L578-L687 HydrophobicContact CG-CD1 4.23Å; L578-L687 HydrophobicContact CG-CD2 4.03Å; L578-L687 HydrophobicContact CG-CG 3.93Å
579	N	97.5	Very high	96.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.7	-44.7	177.3	-75.4	-36.3	0	0	0	111.5	M449 Y570 S571 W574 P575 K576 G582 I583 G584	M449-N579 HydrophobicContact CE-CB 3.96Å; M449-N579 HydrophobicContact SD-CB 4.3Å; Y570-N579 WeakPolarHBondContact CA-OD1 3.04Å; S571-N579 PolarHBondContact N-OD1 3.37Å; S571-N579 PolarHBondContact O-ND2 3.49Å; S571-N579 PolarHBondContact O-OD1 2.86Å; W574-N579 PolarHBondContact O-ND2 2.94Å; P575-N579 PolarHBondContact O-N 3.11Å; K576-N579 PolarHBondContact O-N 3.15Å; K576-N579 VanDerWaalsContact O-N 3.16Å; N579-G582 PolarHBondContact O-N 2.85Å; N579-I583 WeakPolarHBondContact O-CG2 3.46Å; N579-I583 PolarHBondContact O-N 3.24Å; N579-I583 VanDerWaalsContact O-N 3.13Å; N579-G584 PolarHBondContact O-N 3.3Å
580	F	98.5	Very high	96.4	Very high	1 Å²	1	19 Å²	19	0%	0.004	9%	0.091	C	C	.	.	I	π-helix	trans	-67.9	-37.4	174.8	-81.4	-73.7	0	0	0	112.3	M449 E452 I453 K576 G582 G584 V585 A663 Y664 W667 F688	M449-F580 HydrophobicContact CE-CD1 4.18Å; M449-F580 HydrophobicContact CE-CE1 4.37Å; M449-F580 HydrophobicContact CE-CG 4.34Å; E452-F580 VanDerWaalsContact OE2-CZ 3.29Å; E452-F580 WeakPolarHBondContact OE2-CZ 3.36Å; I453-F580 HydrophobicContact CG1-CD1 4.43Å; I453-F580 HydrophobicContact CG1-CE1 4.22Å; K576-F580 HydrophobicContact CB-CD2 4.04Å; K576-F580 HydrophobicContact CB-CE2 4.2Å; K576-F580 WeakPolarHBondContact O-CB 3.5Å; K576-F580 VanDerWaalsContact O-CD2 3.31Å; K576-F580 WeakPolarHBondContact O-CD2 3.19Å; K576-F580 PolarHBondContact O-N 3.27Å; F580-G582 VanDerWaalsContact C-N 3.34Å; F580-G584 CarbonylContact O-C 3.6Å; F580-G584 WeakPolarHBondContact O-CA 3.39Å; F580-V585 WeakPolarHBondContact O-CG2 3.17Å; F580-V585 PolarHBondContact O-N 2.79Å; F580-V585 VanDerWaalsContact O-N 3.07Å; F580-A663 HydrophobicContact CD1-CB 4.1Å; F580-A663 HydrophobicContact CE1-CB 3.64Å; F580-A663 HydrophobicContact CZ-CB 4.45Å; F580-Y664 HydrophobicContact CB-CD2 4.45Å; F580-Y664 HydrophobicContact CB-CG 4.35Å; F580-Y664 AromaticContact CD2-CD2 3.66Å; F580-Y664 HydrophobicContact CD2-CD2 3.66Å; F580-Y664 HydrophobicContact CD2-CG 4.21Å; F580-Y664 HydrophobicContact CE2-CD2 4.26Å; F580-Y664 HydrophobicContact CG-CD2 4.33Å; F580-Y664 HydrophobicContact CG-CG 4.46Å; F580-W667 HydrophobicContact CE2-CB 3.94Å; F580-W667 AromaticContact CE2-CG 3.98Å; F580-W667 HydrophobicContact CE2-CG 3.98Å; F580-W667 HydrophobicContact CZ-CB 4.16Å; F580-W667 HydrophobicContact CZ-CG 4.42Å; F580-F688 VanDerWaalsContact C-CE2 3.43Å; F580-F688 HydrophobicContact CB-CD2 3.96Å; F580-F688 HydrophobicContact CB-CE2 3.81Å; F580-F688 WeakPolarHBondContact O-CE2 3.21Å
581	G	98.1	Very high	96.6	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.01	9%	0.091	C	C	.	.	I	π-helix	trans	-71	-26.6	176.1	0	0	0	0	0	113.9	A577 L578 V585 F692	A577-G581 PolarHBondContact O-N 3.13Å; L578-G581 PolarHBondContact O-N 3.48Å; G581-V585 WeakPolarHBondContact O-CG2 3.5Å; G581-F692 WeakPolarHBondContact O-CA 3.4Å; G581-F692 WeakPolarHBondContact O-CB 3.5Å; G581-F692 PolarHBondContact O-N 2.9Å
582	G	97.3	Very high	96.9	Very high	3 Å²	3	17.8 Å²	17.8	3%	0.031	8%	0.083	C	C	.	.	I	π-helix	trans	-94.5	-97.8	177.1	0	0	0	0	0	111.8	L578 N579 F580 G584 V585 V586	L578-G582 PolarHBondContact O-N 2.67Å; N579-G582 PolarHBondContact O-N 2.85Å; F580-G582 VanDerWaalsContact C-N 3.34Å; G582-G584 PolarHBondContact O-N 3.44Å; G582-V585 PolarHBondContact O-N 3.13Å; G582-V585 VanDerWaalsContact O-N 3.12Å; G582-V586 PolarHBondContact O-N 3.34Å
583	I	97.8	Very high	97.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.	I	π-helix	trans	-61.2	-29.9	-176.9	-164	68.3	0	0	0	113	M449 L560 I564 L565 F569 Y570 N579 V585 V586 M587	M449-I583 HydrophobicContact CE-CG2 3.78Å; M449-I583 HydrophobicContact SD-CG2 4.3Å; L560-I583 HydrophobicContact CD2-CD1 4.13Å; L560-I583 HydrophobicContact CD2-CG1 4.47Å; I564-I583 HydrophobicContact CG1-CD1 4.33Å; I564-I583 HydrophobicContact CG2-CD1 4.22Å; L565-I583 HydrophobicContact CD2-CD1 3.9Å; L565-I583 HydrophobicContact CD2-CG1 3.86Å; F569-I583 HydrophobicContact CB-CB 4.31Å; F569-I583 HydrophobicContact CB-CD1 4.29Å; F569-I583 WeakPolarHBondContact O-CB 3.44Å; F569-I583 PolarHBondContact O-N 3.12Å; Y570-I583 HydrophobicContact CD2-CG2 3.95Å; Y570-I583 HydrophobicContact CG-CG2 4.34Å; N579-I583 WeakPolarHBondContact O-CG2 3.46Å; N579-I583 PolarHBondContact O-N 3.24Å; N579-I583 VanDerWaalsContact O-N 3.13Å; I583-V585 VanDerWaalsContact C-N 3.33Å; I583-V585 PolarHBondContact O-N 3.17Å; I583-V586 HydrophobicContact CD1-CB 4.25Å; I583-V586 HydrophobicContact CD1-CG1 4.45Å; I583-V586 WeakPolarHBondContact O-CB 3.41Å; I583-V586 PolarHBondContact O-N 3.41Å; I583-M587 HydrophobicContact CG1-CE 3.83Å; I583-M587 HydrophobicContact CG1-CG 4.49Å; I583-M587 HydrophobicContact CG1-SD 4.47Å; I583-M587 HydrophobicContact CG2-CE 4.43Å; I583-M587 VanDerWaalsContact O-CG 3.32Å; I583-M587 WeakPolarHBondContact O-CG 3.24Å; I583-M587 PolarHBondContact O-N 2.66Å
584	G	98.4	Very high	97.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-64.4	-37.4	176.2	0	0	0	0	0	112.8	I453 N579 F580 G582 V586 M587 G588	I453-G584 VanDerWaalsContact CD1-CA 3.49Å; I453-G584 WeakPolarHBondContact CD1-O 3.33Å; N579-G584 PolarHBondContact O-N 3.3Å; F580-G584 CarbonylContact O-C 3.6Å; F580-G584 WeakPolarHBondContact O-CA 3.39Å; G582-G584 PolarHBondContact O-N 3.44Å; G584-V586 VanDerWaalsContact C-N 3.35Å; G584-M587 PolarHBondContact O-N 3.08Å; G584-G588 PolarHBondContact O-N 3.26Å
585	V	98.7	Very high	98	Very high	6 Å²	6	6.1 Å²	6.1	4%	0.036	3%	0.031	C	C	.	.	H	α-helix	trans	-66.8	-39.3	173.3	178.9	0	0	0	0	110.7	F580 G581 G582 I583 G588 H589 L657 A660 F688 F692	F580-V585 WeakPolarHBondContact O-CG2 3.17Å; F580-V585 PolarHBondContact O-N 2.79Å; F580-V585 VanDerWaalsContact O-N 3.07Å; G581-V585 WeakPolarHBondContact O-CG2 3.5Å; G582-V585 PolarHBondContact O-N 3.13Å; G582-V585 VanDerWaalsContact O-N 3.12Å; I583-V585 VanDerWaalsContact C-N 3.33Å; I583-V585 PolarHBondContact O-N 3.17Å; V585-G588 PolarHBondContact O-N 3.06Å; V585-H589 VanDerWaalsContact O-CB 3.26Å; V585-H589 WeakPolarHBondContact O-CB 2.86Å; V585-H589 PolarHBondContact O-N 3.21Å; V585-L657 HydrophobicContact CG1-CB 4.44Å; V585-L657 HydrophobicContact CG2-CD1 3.77Å; V585-A660 HydrophobicContact CG2-CB 3.86Å; V585-F688 HydrophobicContact CG2-CZ 4.16Å; V585-F692 HydrophobicContact CB-CD2 4.24Å; V585-F692 HydrophobicContact CG1-CD2 3.79Å; V585-F692 HydrophobicContact CG1-CE2 3.88Å; V585-F692 HydrophobicContact CG2-CD2 4.02Å
586	V	98.4	Very high	98.2	Very high	17 Å²	17	6.2 Å²	6.2	10%	0.103	3%	0.032	C	C	.	.	H	α-helix	trans	-60.7	-47.6	174.2	178.5	0	0	0	0	110.9	A549 I564 F569 G582 I583 G584 G588 H589 E590	A549-V586 HydrophobicContact CB-CG1 3.71Å; I564-V586 HydrophobicContact CD1-CG1 4.32Å; F569-V586 HydrophobicContact CD1-CG2 4.3Å; G582-V586 PolarHBondContact O-N 3.34Å; I583-V586 HydrophobicContact CD1-CB 4.25Å; I583-V586 HydrophobicContact CD1-CG1 4.45Å; I583-V586 WeakPolarHBondContact O-CB 3.41Å; I583-V586 PolarHBondContact O-N 3.41Å; G584-V586 VanDerWaalsContact C-N 3.35Å; V586-G588 VanDerWaalsContact C-N 3.32Å; V586-G588 PolarHBondContact O-N 3.12Å; V586-H589 WeakPolarHBondContact O-CB 3.37Å; V586-H589 PolarHBondContact O-N 3.15Å; V586-H589 VanDerWaalsContact O-N 3.14Å; V586-E590 WeakPolarHBondContact O-CG 3.4Å; V586-E590 PolarHBondContact O-N 2.95Å
587	M	98.4	Very high	98.2	Very high	1 Å²	1	5.2 Å²	5.2	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-60	-41.4	176.3	-69.7	166.1	174.4	0	0	112.1	A446 M449 V450 I453 L560 I583 G584 H589 L591	A446-M587 HydrophobicContact CB-CE 3.92Å; A446-M587 WeakPolarHBondContact O-CE 3.47Å; M449-M587 HydrophobicContact CB-CE 4.18Å; M449-M587 HydrophobicContact CB-SD 3.81Å; V450-M587 HydrophobicContact CG2-CB 4.41Å; V450-M587 HydrophobicContact CG2-CE 3.82Å; V450-M587 HydrophobicContact CG2-CG 3.83Å; V450-M587 HydrophobicContact CG2-SD 3.67Å; I453-M587 HydrophobicContact CD1-CB 3.64Å; I453-M587 HydrophobicContact CD1-CG 4.34Å; I453-M587 HydrophobicContact CD1-SD 3.77Å; L560-M587 HydrophobicContact CD1-CG 4.38Å; L560-M587 HydrophobicContact CD2-CE 4.21Å; L560-M587 HydrophobicContact CD2-CG 3.58Å; I583-M587 HydrophobicContact CG1-CE 3.83Å; I583-M587 HydrophobicContact CG1-CG 4.49Å; I583-M587 HydrophobicContact CG1-SD 4.47Å; I583-M587 HydrophobicContact CG2-CE 4.43Å; I583-M587 VanDerWaalsContact O-CG 3.32Å; I583-M587 WeakPolarHBondContact O-CG 3.24Å; I583-M587 PolarHBondContact O-N 2.66Å; G584-M587 PolarHBondContact O-N 3.08Å; M587-H589 VanDerWaalsContact C-N 3.35Å; M587-L591 WeakPolarHBondContact O-CB 3.45Å; M587-L591 PolarHBondContact O-N 3.04Å; M587-L591 VanDerWaalsContact O-N 3.08Å
588	G	98.6	Very high	98.2	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-68.3	-33.3	175.6	0	0	0	0	0	113.2	G584 V585 V586 T592 G656	G584-G588 PolarHBondContact O-N 3.26Å; V585-G588 PolarHBondContact O-N 3.06Å; V586-G588 VanDerWaalsContact C-N 3.32Å; V586-G588 PolarHBondContact O-N 3.12Å; G588-T592 WeakPolarHBondContact O-CB 3.36Å; G588-T592 PolarHBondContact O-N 2.94Å; G588-T592 PolarHBondContact O-OG1 2.95Å; G588-G656 WeakPolarHBondContact O-CA 3.43Å
589	H	98.8	Very high	98.2	Very high	12 Å²	12	8 Å²	8	6%	0.056	4%	0.042	C	C	.	.	H	α-helix	trans	-63.8	-51.1	176.1	177.3	95.5	0	0	0	110.3	V585 V586 M587 L591 T592 H593 E649 A652 D653 R720	V585-H589 VanDerWaalsContact O-CB 3.26Å; V585-H589 WeakPolarHBondContact O-CB 2.86Å; V585-H589 PolarHBondContact O-N 3.21Å; V586-H589 WeakPolarHBondContact O-CB 3.37Å; V586-H589 PolarHBondContact O-N 3.15Å; V586-H589 VanDerWaalsContact O-N 3.14Å; M587-H589 VanDerWaalsContact C-N 3.35Å; H589-L591 VanDerWaalsContact C-N 3.33Å; H589-L591 PolarHBondContact O-N 3.29Å; H589-T592 WeakPolarHBondContact O-CB 3.44Å; H589-T592 PolarHBondContact O-N 3.27Å; H589-H593 AromaticContact CD2-CD2 3.83Å; H589-H593 AromaticContact CD2-NE2 3.56Å; H589-H593 AromaticContact CE1-NE2 3.82Å; H589-H593 AromaticContact NE2-CD2 3.88Å; H589-H593 AromaticContact NE2-CE1 3.99Å; H589-H593 AromaticContact NE2-NE2 3.12Å; H589-H593 PolarHBondContact NE2-NE2 2.85Å; H589-H593 VanDerWaalsContact NE2-NE2 3.12Å; H589-H593 PolarHBondContact O-N 3.14Å; H589-E649 IonicContact CE1-OE2 2.68Å; H589-E649 PolarHBondContact CE1-OE2 3.12Å; H589-E649 IonicContact NE2-OE2 3.37Å; H589-E649 PolarHBondContact NE2-OE2 3.31Å; H589-E649 VanDerWaalsContact NE2-OE2 3.15Å; H589-A652 WeakPolarHBondContact CE1-CB 3.23Å; H589-A652 VanDerWaalsContact ND1-C 3.26Å; H589-A652 VanDerWaalsContact ND1-CB 3.3Å; H589-A652 WeakPolarHBondContact ND1-CB 3.35Å; H589-D653 IonicContact CE1-OD1 2.66Å; H589-D653 PolarHBondContact CE1-OD1 3.45Å; H589-D653 PolarHBondContact ND1-N 3.2Å; H589-D653 IonicContact ND1-OD1 3.15Å; H589-D653 PolarHBondContact ND1-OD1 3.24Å; H589-D653 VanDerWaalsContact ND1-OD1 3.09Å; H589-R720 PolarHBondContact CE1-NH2 2.87Å
590	E	98.6	Very high	98.3	Very high	10 Å²	10	9.3 Å²	9.3	5%	0.047	5%	0.047	C	C	.	.	H	α-helix	trans	-62.9	-37.3	176.1	-56.4	-48.1	149.4	0	0	113.2	A549 Y550 Y551 M558 V586 T592 H593	A549-E590 HydrophobicContact CB-CG 3.8Å; A549-E590 WeakPolarHBondContact CB-OE1 3.4Å; Y550-E590 WeakPolarHBondContact CA-OE2 3.47Å; Y551-E590 PolarHBondContact N-OE2 3.35Å; M558-E590 HydrophobicContact CB-CB 3.91Å; M558-E590 HydrophobicContact SD-CB 4.45Å; V586-E590 WeakPolarHBondContact O-CG 3.4Å; V586-E590 PolarHBondContact O-N 2.95Å; E590-T592 VanDerWaalsContact C-N 3.27Å; E590-T592 PolarHBondContact O-N 3.09Å; E590-H593 PolarHBondContact O-N 3.35Å; E590-H593 IonicContact OE2-CD2 2.92Å
591	L	98.6	Very high	98.3	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.01	5%	0.048	C	C	.	.	H	α-helix	trans	-60.4	-40.9	172.5	-172.4	92.5	0	0	0	111.1	K454 F457 I482 M558 M587 H589 H593 A594	K454-L591 HydrophobicContact CB-CD1 4.17Å; K454-L591 HydrophobicContact CG-CD1 4.27Å; F457-L591 HydrophobicContact CB-CD2 3.28Å; F457-L591 HydrophobicContact CD1-CD2 3.82Å; F457-L591 HydrophobicContact CD2-CD2 3.73Å; F457-L591 HydrophobicContact CE2-CD2 4.5Å; F457-L591 HydrophobicContact CG-CD2 3.33Å; F457-L591 HydrophobicContact CG-CG 4.49Å; I482-L591 HydrophobicContact CD1-CD1 3.63Å; I482-L591 HydrophobicContact CD1-CG 4.25Å; M558-L591 HydrophobicContact CE-CB 3.84Å; M558-L591 HydrophobicContact CE-CD1 3.69Å; M558-L591 HydrophobicContact CE-CG 4.38Å; M587-L591 WeakPolarHBondContact O-CB 3.45Å; M587-L591 PolarHBondContact O-N 3.04Å; M587-L591 VanDerWaalsContact O-N 3.08Å; H589-L591 VanDerWaalsContact C-N 3.33Å; H589-L591 PolarHBondContact O-N 3.29Å; L591-H593 VanDerWaalsContact C-N 3.35Å; L591-A594 VanDerWaalsContact O-CB 3.27Å; L591-A594 WeakPolarHBondContact O-CB 3.39Å; L591-A594 PolarHBondContact O-N 2.85Å
592	T	98.6	Very high	98.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-72.6	-28	-176.7	-56.5	0	0	0	0	112.1	G588 H589 E590 A594 F595 D596 I651 A652 G656 W752	G588-T592 WeakPolarHBondContact O-CB 3.36Å; G588-T592 PolarHBondContact O-N 2.94Å; G588-T592 PolarHBondContact O-OG1 2.95Å; H589-T592 WeakPolarHBondContact O-CB 3.44Å; H589-T592 PolarHBondContact O-N 3.27Å; E590-T592 VanDerWaalsContact C-N 3.27Å; E590-T592 PolarHBondContact O-N 3.09Å; T592-A594 PolarHBondContact O-N 3.37Å; T592-A594 VanDerWaalsContact O-N 3.16Å; T592-F595 CarbonylContact O-C 3.42Å; T592-F595 WeakPolarHBondContact O-CA 3.22Å; T592-F595 PolarHBondContact O-N 3.08Å; T592-D596 PolarHBondContact O-N 3.26Å; T592-D596 VanDerWaalsContact O-N 3.1Å; T592-I651 HydrophobicContact CG2-CG2 3.94Å; T592-A652 HydrophobicContact CG2-CB 4.47Å; T592-G656 PolarHBondContact OG1-N 2.92Å; T592-W752 VanDerWaalsContact CG2-CD1 3.44Å; T592-W752 HydrophobicContact CG2-CG 4.27Å
593	H	98.7	Very high	98.4	Very high	18 Å²	18	10.2 Å²	10.2	8%	0.083	5%	0.05	C	C	.	.	H	α-helix	trans	-57.3	-25.5	170.6	-82.4	-51.8	0	0	0	113.3	Y551 H589 E590 L591 F595 D596 G599 E649	Y551-H593 HydrophobicContact CD1-CB 3.72Å; Y551-H593 HydrophobicContact CG-CB 3.8Å; H589-H593 AromaticContact CD2-CD2 3.83Å; H589-H593 AromaticContact CD2-NE2 3.56Å; H589-H593 AromaticContact CE1-NE2 3.82Å; H589-H593 AromaticContact NE2-CD2 3.88Å; H589-H593 AromaticContact NE2-CE1 3.99Å; H589-H593 AromaticContact NE2-NE2 3.12Å; H589-H593 PolarHBondContact NE2-NE2 2.85Å; H589-H593 VanDerWaalsContact NE2-NE2 3.12Å; H589-H593 PolarHBondContact O-N 3.14Å; E590-H593 PolarHBondContact O-N 3.35Å; E590-H593 IonicContact OE2-CD2 2.92Å; L591-H593 VanDerWaalsContact C-N 3.35Å; H593-F595 PolarHBondContact O-N 2.73Å; H593-D596 IonicContact CE1-OD2 3.9Å; H593-D596 IonicContact CG-OD2 3.24Å; H593-D596 IonicContact ND1-OD2 3.85Å; H593-D596 PolarHBondContact ND1-OD2 3.36Å; H593-G599 WeakPolarHBondContact O-CA 3.28Å; H593-E649 IonicContact CE1-OE1 3.73Å; H593-E649 PolarHBondContact CE1-OE1 2.87Å; H593-E649 IonicContact CE1-OE2 3.58Å; H593-E649 IonicContact NE2-OE1 2.7Å; H593-E649 IonicContact NE2-OE2 3.26Å
594	A	98.5	Very high	98.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-13	170.7	0	0	0	0	0	113.6	K478 I482 Y551 L591 T592 G599	K478-A594 WeakPolarHBondContact CE-O 3.33Å; K478-A594 PolarHBondContact NZ-O 3.22Å; I482-A594 HydrophobicContact CD1-CB 3.82Å; I482-A594 HydrophobicContact CG1-CB 4.48Å; Y551-A594 HydrophobicContact CD2-CB 4.36Å; Y551-A594 HydrophobicContact CE1-CB 4.12Å; Y551-A594 HydrophobicContact CE2-CB 3.61Å; Y551-A594 VanDerWaalsContact CZ-CA 3.41Å; Y551-A594 VanDerWaalsContact CZ-CB 3.46Å; Y551-A594 WeakPolarHBondContact OH-CB 3.47Å; L591-A594 VanDerWaalsContact O-CB 3.27Å; L591-A594 WeakPolarHBondContact O-CB 3.39Å; L591-A594 PolarHBondContact O-N 2.85Å; T592-A594 PolarHBondContact O-N 3.37Å; T592-A594 VanDerWaalsContact O-N 3.16Å; A594-G599 CarbonylContact O-C 3.58Å; A594-G599 VanDerWaalsContact O-C 3.29Å
595	F	98.6	Very high	98.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.1	14.6	-173.7	-50.7	-83.8	0	0	0	113	F457 A475 K478 A479 I482 T592 H593 W611 F620 W752	F457-F595 HydrophobicContact CD1-CE2 4.46Å; F457-F595 AromaticContact CE1-CD2 3.82Å; F457-F595 HydrophobicContact CE1-CD2 3.82Å; F457-F595 AromaticContact CE1-CE2 3.45Å; F457-F595 HydrophobicContact CE1-CE2 3.45Å; F457-F595 VanDerWaalsContact CE1-CE2 3.45Å; F457-F595 AromaticContact CE1-CZ 3.96Å; F457-F595 HydrophobicContact CE1-CZ 3.96Å; F457-F595 HydrophobicContact CE2-CD2 4.26Å; F457-F595 AromaticContact CZ-CD2 3.38Å; F457-F595 HydrophobicContact CZ-CD2 3.38Å; F457-F595 AromaticContact CZ-CE2 3.56Å; F457-F595 HydrophobicContact CZ-CE2 3.56Å; F457-F595 HydrophobicContact CZ-CG 4.01Å; F457-F595 HydrophobicContact CZ-CZ 4.31Å; A475-F595 HydrophobicContact CB-CD1 4.48Å; A475-F595 HydrophobicContact CB-CE1 4.01Å; A475-F595 WeakPolarHBondContact O-CE1 3.44Å; A475-F595 WeakPolarHBondContact O-CZ 3.49Å; K478-F595 HydrophobicContact CB-CE1 4.01Å; K478-F595 HydrophobicContact CB-CZ 4.14Å; K478-F595 HydrophobicContact CD-CD1 4.42Å; K478-F595 HydrophobicContact CD-CE1 3.84Å; K478-F595 HydrophobicContact CD-CZ 4.26Å; K478-F595 HydrophobicContact CG-CE1 4Å; K478-F595 HydrophobicContact CG-CZ 4.02Å; A479-F595 HydrophobicContact CB-CE2 4.27Å; A479-F595 HydrophobicContact CB-CZ 3.89Å; I482-F595 HydrophobicContact CD1-CE2 4.35Å; T592-F595 CarbonylContact O-C 3.42Å; T592-F595 WeakPolarHBondContact O-CA 3.22Å; T592-F595 PolarHBondContact O-N 3.08Å; H593-F595 PolarHBondContact O-N 2.73Å; F595-W611 HydrophobicContact CD1-CH2 4.25Å; F595-W611 HydrophobicContact CE1-CH2 4.1Å; F595-F620 WeakPolarHBondContact O-CE2 3.35Å; F595-W752 HydrophobicContact CB-CD2 4.21Å; F595-W752 HydrophobicContact CB-CH2 3.85Å; F595-W752 HydrophobicContact CB-CZ2 3.36Å; F595-W752 HydrophobicContact CB-CZ3 4.44Å; F595-W752 HydrophobicContact CD1-CH2 4.45Å; F595-W752 HydrophobicContact CG-CH2 4.45Å; F595-W752 HydrophobicContact CG-CZ2 4.39Å; F595-W752 VanDerWaalsContact O-CE2 3.29Å; F595-W752 WeakPolarHBondContact O-CZ2 3.14Å; F595-W752 PolarHBondContact O-NE1 2.93Å; F595-W752 VanDerWaalsContact O-NE1 3.1Å
596	D	98.4	Very high	98.3	Very high	9 Å²	9	16.6 Å²	16.6	5%	0.048	8%	0.08	C	C	.	.	S	Bend	trans	-73	-168	172.7	71.6	20.7	0	0	0	112	T592 H593 Q598 G599 R600 I651	T592-D596 PolarHBondContact O-N 3.26Å; T592-D596 VanDerWaalsContact O-N 3.1Å; H593-D596 IonicContact CE1-OD2 3.9Å; H593-D596 IonicContact CG-OD2 3.24Å; H593-D596 IonicContact ND1-OD2 3.85Å; H593-D596 PolarHBondContact ND1-OD2 3.36Å; D596-Q598 PolarHBondContact O-N 3.4Å; D596-Q598 WeakPolarHBondContact OD1-CA 3.5Å; D596-Q598 PolarHBondContact OD1-N 3.46Å; D596-G599 PolarHBondContact OD1-N 3.22Å; D596-R600 VanDerWaalsContact O-CB 3.27Å; D596-R600 WeakPolarHBondContact O-CB 3.36Å; D596-R600 WeakPolarHBondContact O-CG 3.28Å; D596-R600 PolarHBondContact O-N 2.97Å; D596-I651 HydrophobicContact CB-CB 4.32Å; D596-I651 HydrophobicContact CB-CD1 4.5Å; D596-I651 HydrophobicContact CB-CG2 3.99Å
597	D	97.1	Very high	98.3	Very high	21 Å²	21	16.9 Å²	16.9	11%	0.112	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25	-177.6	61.7	-50.9	0	0	0	114.2	R307 R600 F620 L647 G648 I651	R307-D597 IonicContact CZ-OD1 3.79Å; R307-D597 IonicContact CZ-OD2 3.88Å; R307-D597 IonicContact NE-OD2 2.75Å; R307-D597 PolarHBondContact NE-OD2 3.04Å; R307-D597 IonicContact NH2-OD1 2.73Å; R307-D597 PolarHBondContact NH2-OD1 3.46Å; R307-D597 IonicContact NH2-OD2 2.9Å; R307-D597 PolarHBondContact NH2-OD2 3.26Å; R307-D597 VanDerWaalsContact NH2-OD2 3.12Å; D597-R600 PolarHBondContact O-NH2 3.08Å; D597-F620 HydrophobicContact CB-CE1 4.38Å; D597-L647 HydrophobicContact CB-CD2 4.28Å; D597-G648 WeakPolarHBondContact OD1-CA 3.21Å; D597-G648 PolarHBondContact OD1-N 3.33Å; D597-I651 HydrophobicContact CB-CD1 4.49Å
598	Q	97.6	Very high	98.3	Very high	64 Å²	64	17.2 Å²	17.2	30%	0.299	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-50.6	179.7	-46.8	-169.7	-84.3	0	0	111.4	R307 D596 R600 E601 Y602	R307-Q598 WeakPolarHBondContact O-CG 2.9Å; R307-Q598 PolarHBondContact O-NE2 3.42Å; D596-Q598 PolarHBondContact O-N 3.4Å; D596-Q598 WeakPolarHBondContact OD1-CA 3.5Å; D596-Q598 PolarHBondContact OD1-N 3.46Å; Q598-R600 PolarHBondContact O-N 3.33Å; Q598-E601 WeakPolarHBondContact O-CB 3.42Å; Q598-E601 WeakPolarHBondContact O-CG 3.42Å; Q598-E601 PolarHBondContact O-N 3.46Å; Q598-Y602 WeakPolarHBondContact O-CD2 3.17Å
599	G	98.2	Very high	98.3	Very high	4 Å²	4	23.7 Å²	23.7	4%	0.041	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-61.3	-31.4	-176.8	0	0	0	0	0	113	K478 H593 A594 D596 E601 Y602	K478-G599 PolarHBondContact NZ-O 3.23Å; H593-G599 WeakPolarHBondContact O-CA 3.28Å; A594-G599 CarbonylContact O-C 3.58Å; A594-G599 VanDerWaalsContact O-C 3.29Å; D596-G599 PolarHBondContact OD1-N 3.22Å; G599-E601 PolarHBondContact O-N 3.35Å; G599-E601 VanDerWaalsContact O-N 3.09Å; G599-Y602 PolarHBondContact O-N 2.96Å; G599-Y602 VanDerWaalsContact O-N 3.16Å
600	R	98.1	Very high	98.1	Very high	26 Å²	26	27.7 Å²	27.7	10%	0.098	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-59.2	-20.5	173.9	74	164.9	174.9	64	23.4	113.4	D596 D597 Q598 Y602 W611 W612	D596-R600 VanDerWaalsContact O-CB 3.27Å; D596-R600 WeakPolarHBondContact O-CB 3.36Å; D596-R600 WeakPolarHBondContact O-CG 3.28Å; D596-R600 PolarHBondContact O-N 2.97Å; D597-R600 PolarHBondContact O-NH2 3.08Å; Q598-R600 PolarHBondContact O-N 3.33Å; R600-Y602 PolarHBondContact O-N 3.29Å; R600-W611 VanDerWaalsContact O-CZ2 3.3Å; R600-W611 WeakPolarHBondContact O-CZ2 3.17Å; R600-W611 PolarHBondContact O-NE1 3.17Å; R600-W612 HydrophobicContact CB-CH2 3.93Å; R600-W612 HydrophobicContact CB-CZ2 3.89Å
601	E	98.4	Very high	98.1	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.037	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-79.1	-14.8	-176.3	-56.1	-170.7	158	0	0	112.1	E309 E310 Q598 G599 L608 R609	E309-E601 PolarHBondContact N-OE2 3.23Å; E310-E601 PolarHBondContact N-OE2 2.91Å; Q598-E601 WeakPolarHBondContact O-CB 3.42Å; Q598-E601 WeakPolarHBondContact O-CG 3.42Å; Q598-E601 PolarHBondContact O-N 3.46Å; G599-E601 PolarHBondContact O-N 3.35Å; G599-E601 VanDerWaalsContact O-N 3.09Å; E601-L608 HydrophobicContact CB-CD1 3.51Å; E601-L608 WeakPolarHBondContact O-CA 3.21Å; E601-R609 PolarHBondContact O-N 3.42Å; E601-R609 VanDerWaalsContact O-N 3.16Å
602	Y	98.7	Very high	98	Very high	12 Å²	12	30.3 Å²	30.3	5%	0.047	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-98.1	134.9	178.7	-63.1	-100.6	0	0	0	110.4	E309 K478 P553 T554 Q598 G599 R600 G606 N607 L608 W611	E309-Y602 VanDerWaalsContact CG-OH 3.3Å; E309-Y602 WeakPolarHBondContact CG-OH 2.8Å; K478-Y602 WeakPolarHBondContact CE-O 3.41Å; K478-Y602 PolarHBondContact NZ-O 3.5Å; P553-Y602 HydrophobicContact CB-CD1 3.94Å; P553-Y602 HydrophobicContact CB-CD2 3.57Å; P553-Y602 HydrophobicContact CB-CE1 4.11Å; P553-Y602 HydrophobicContact CB-CE2 3.78Å; P553-Y602 HydrophobicContact CB-CG 3.65Å; P553-Y602 HydrophobicContact CG-CD2 4.43Å; P553-Y602 HydrophobicContact CG-CE1 4.45Å; P553-Y602 HydrophobicContact CG-CE2 4.15Å; T554-Y602 HydrophobicContact CG2-CE1 3.94Å; Q598-Y602 WeakPolarHBondContact O-CD2 3.17Å; G599-Y602 PolarHBondContact O-N 2.96Å; G599-Y602 VanDerWaalsContact O-N 3.16Å; R600-Y602 PolarHBondContact O-N 3.29Å; Y602-G606 WeakPolarHBondContact CD1-O 3.49Å; Y602-N607 WeakPolarHBondContact CA-O 3.43Å; Y602-L608 HydrophobicContact CD1-CB 4.2Å; Y602-L608 HydrophobicContact CD2-CD1 4.44Å; Y602-L608 HydrophobicContact CE1-CB 4.01Å; Y602-L608 HydrophobicContact CE2-CD1 4.15Å; Y602-W611 VanDerWaalsContact C-NE1 3.34Å; Y602-W611 PolarHBondContact O-NE1 3.02Å
603	D	98.4	Very high	97.9	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	16%	0.162	C	C	.	.			trans	-75.4	-175.5	175.7	75	3.9	0	0	0	112.7	D605 G606 N607 R609 W611	D603-D605 PolarHBondContact O-N 3.37Å; D603-D605 WeakPolarHBondContact OD1-CA 3.48Å; D603-D605 PolarHBondContact OD1-N 2.77Å; D603-G606 PolarHBondContact O-N 2.97Å; D603-G606 VanDerWaalsContact O-N 3.1Å; D603-G606 PolarHBondContact OD1-N 3.44Å; D603-N607 PolarHBondContact N-O 3.36Å; D603-N607 PolarHBondContact OD1-N 3.24Å; D603-R609 HydrophobicContact CB-CG 4.39Å; D603-R609 IonicContact OD2-CZ 2.67Å; D603-R609 IonicContact OD2-NE 2.67Å; D603-R609 PolarHBondContact OD2-NE 3.18Å; D603-R609 IonicContact OD2-NH2 3.44Å; D603-R609 PolarHBondContact OD2-NH2 2.83Å; D603-W611 HydrophobicContact CB-CG 4.25Å
604	K	98.3	Very high	97.9	Very high	80 Å²	80	39.8 Å²	39.8	35%	0.348	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.4	178.5	71.3	173.6	-175.8	58.8	0	114.9	K478 A481 N556	K478-K604 HydrophobicContact CB-CB 4.15Å; K478-K604 HydrophobicContact CG-CB 4.46Å; A481-K604 HydrophobicContact CB-CB 3.9Å; N556-K604 PolarHBondContact ND2-O 3.28Å; N556-K604 VanDerWaalsContact ND2-O 3.1Å
605	D	97.9	Very high	97.8	Very high	61 Å²	61	43.3 Å²	43.3	33%	0.326	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	0.3	-177.9	-58.6	-50.3	0	0	0	111.2	S231 D603	S231-D605 WeakPolarHBondContact CB-O 3.08Å; S231-D605 PolarHBondContact OG-O 2.92Å; D603-D605 PolarHBondContact O-N 3.37Å; D603-D605 WeakPolarHBondContact OD1-CA 3.48Å; D603-D605 PolarHBondContact OD1-N 2.77Å
606	G	98	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	83.4	21.7	178.7	0	0	0	0	0	114.5	P553 T554 Y602 D603	P553-G606 WeakPolarHBondContact O-CA 3.33Å; T554-G606 WeakPolarHBondContact CA-O 3.39Å; Y602-G606 WeakPolarHBondContact CD1-O 3.49Å; D603-G606 PolarHBondContact O-N 2.97Å; D603-G606 VanDerWaalsContact O-N 3.1Å; D603-G606 PolarHBondContact OD1-N 3.44Å
607	N	98.5	Very high	97.7	Very high	23 Å²	23	44.1 Å²	44.1	12%	0.123	22%	0.221	C	C	.	.			trans	-98.3	128	176.8	-60	-76.1	0	0	0	111.1	S228 N230 S231 Y602 D603 R609	S228-N607 CarbonylContact O-C 3.59Å; S228-N607 WeakPolarHBondContact O-CA 3.38Å; N230-N607 WeakPolarHBondContact CA-OD1 3.31Å; S231-N607 PolarHBondContact N-OD1 3.48Å; S231-N607 PolarHBondContact OG-ND2 2.89Å; S231-N607 PolarHBondContact OG-OD1 3.11Å; Y602-N607 WeakPolarHBondContact CA-O 3.43Å; D603-N607 PolarHBondContact N-O 3.36Å; D603-N607 PolarHBondContact OD1-N 3.24Å; N607-R609 PolarHBondContact O-N 2.77Å; N607-R609 VanDerWaalsContact O-N 3.1Å
608	L	98.4	Very high	97.8	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.037	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-64.9	100.6	168.9	-177.5	72.3	0	0	0	109.6	S228 K229 E309 Y313 E601 Y602	S228-L608 VanDerWaalsContact O-CB 3.23Å; S228-L608 WeakPolarHBondContact O-CB 3.11Å; S228-L608 PolarHBondContact O-N 2.66Å; K229-L608 HydrophobicContact CG-CB 4.17Å; K229-L608 HydrophobicContact CG-CD2 4.22Å; E309-L608 HydrophobicContact CB-CD1 4.07Å; E309-L608 HydrophobicContact CB-CD2 4.28Å; E309-L608 HydrophobicContact CG-CD1 4.05Å; E309-L608 HydrophobicContact CG-CD2 3.57Å; E309-L608 HydrophobicContact CG-CG 4.41Å; Y313-L608 HydrophobicContact CD2-CD2 4.39Å; Y313-L608 HydrophobicContact CG-CD2 4.27Å; E601-L608 HydrophobicContact CB-CD1 3.51Å; E601-L608 WeakPolarHBondContact O-CA 3.21Å; Y602-L608 HydrophobicContact CD1-CB 4.2Å; Y602-L608 HydrophobicContact CD2-CD1 4.44Å; Y602-L608 HydrophobicContact CE1-CB 4.01Å; Y602-L608 HydrophobicContact CE2-CD1 4.15Å
609	R	97.1	Very high	97.8	Very high	136 Å²	136	44.6 Å²	44.6	51%	0.513	22%	0.223	S	C	.	.	S	Bend	trans	-159.1	155.1	175.7	61.5	172.8	176.4	158.6	-3.2	110.5	E601 D603 N607 W611	E601-R609 PolarHBondContact O-N 3.42Å; E601-R609 VanDerWaalsContact O-N 3.16Å; D603-R609 HydrophobicContact CB-CG 4.39Å; D603-R609 IonicContact OD2-CZ 2.67Å; D603-R609 IonicContact OD2-NE 2.67Å; D603-R609 PolarHBondContact OD2-NE 3.18Å; D603-R609 IonicContact OD2-NH2 3.44Å; D603-R609 PolarHBondContact OD2-NH2 2.83Å; N607-R609 PolarHBondContact O-N 2.77Å; N607-R609 VanDerWaalsContact O-N 3.1Å; R609-W611 VanDerWaalsContact O-CD1 3.23Å; R609-W611 PolarHBondContact O-N 3.42Å
610	P	96.3	Very high	97.8	Very high	97 Å²	97	44.5 Å²	44.5	63%	0.63	22%	0.222	S	C	*	.			trans	-63.7	119.4	171.3	-22.7	34.1	0	0	0	111.4
611	W	97.5	Very high	97.7	Very high	45 Å²	45	47.6 Å²	47.6	17%	0.17	24%	0.236	C	C	.	.			trans	-127.4	2.3	173	60.9	-84	0	0	0	113	A474 A475 K478 F595 R600 Y602 D603 R609	A474-W611 HydrophobicContact CB-CE3 3.71Å; A474-W611 HydrophobicContact CB-CZ3 3.86Å; A475-W611 HydrophobicContact CB-CZ3 4.47Å; K478-W611 HydrophobicContact CB-CH2 4.22Å; K478-W611 HydrophobicContact CD-CH2 3.74Å; K478-W611 HydrophobicContact CD-CZ2 3.67Å; F595-W611 HydrophobicContact CD1-CH2 4.25Å; F595-W611 HydrophobicContact CE1-CH2 4.1Å; R600-W611 VanDerWaalsContact O-CZ2 3.3Å; R600-W611 WeakPolarHBondContact O-CZ2 3.17Å; R600-W611 PolarHBondContact O-NE1 3.17Å; Y602-W611 VanDerWaalsContact C-NE1 3.34Å; Y602-W611 PolarHBondContact O-NE1 3.02Å; D603-W611 HydrophobicContact CB-CG 4.25Å; R609-W611 VanDerWaalsContact O-CD1 3.23Å; R609-W611 PolarHBondContact O-N 3.42Å
612	W	97.6	Very high	97.6	Very high	21 Å²	21	54.5 Å²	54.5	8%	0.08	26%	0.262	C	S	.	.	S	Bend	trans	-106.9	154	172.7	-72.1	17.5	0	0	0	110.2	W466 T471 R600 V617 F620 W752	W466-W612 AromaticContact CH2-CH2 4Å; W466-W612 HydrophobicContact CH2-CH2 4Å; W466-W612 AromaticContact CH2-CZ3 3.96Å; W466-W612 HydrophobicContact CH2-CZ3 3.96Å; W466-W612 HydrophobicContact CZ3-CZ3 4.04Å; T471-W612 HydrophobicContact CG2-CB 3.97Å; T471-W612 HydrophobicContact CG2-CD2 3.51Å; T471-W612 HydrophobicContact CG2-CE3 4.15Å; T471-W612 HydrophobicContact CG2-CG 3.4Å; T471-W612 VanDerWaalsContact CG2-CG 3.4Å; R600-W612 HydrophobicContact CB-CH2 3.93Å; R600-W612 HydrophobicContact CB-CZ2 3.89Å; W612-V617 HydrophobicContact CB-CG2 3.68Å; W612-V617 HydrophobicContact CE3-CG2 4.14Å; W612-V617 HydrophobicContact CG-CG2 4.49Å; W612-F620 AromaticContact CH2-CD2 3.8Å; W612-F620 HydrophobicContact CH2-CD2 3.8Å; W612-F620 HydrophobicContact CH2-CE2 4.3Å; W612-F620 HydrophobicContact CH2-CG 4.36Å; W612-F620 HydrophobicContact CZ3-CB 3.75Å; W612-F620 AromaticContact CZ3-CD2 3.76Å; W612-F620 HydrophobicContact CZ3-CD2 3.76Å; W612-F620 AromaticContact CZ3-CG 3.86Å; W612-F620 HydrophobicContact CZ3-CG 3.86Å; W612-W752 AromaticContact CH2-CH2 3.54Å; W612-W752 HydrophobicContact CH2-CH2 3.54Å; W612-W752 AromaticContact CH2-CZ2 3.91Å; W612-W752 HydrophobicContact CH2-CZ2 3.91Å; W612-W752 AromaticContact CZ2-CH2 3.85Å; W612-W752 HydrophobicContact CZ2-CH2 3.85Å; W612-W752 HydrophobicContact CZ2-CZ2 4.44Å
613	K	96.4	Very high	97.5	Very high	87 Å²	87	57.2 Å²	57.2	38%	0.378	28%	0.275	S	S	.	.			trans	-68.4	142.7	164.1	-67.1	-179.1	-172.2	153.7	0	109.8	D468 D470 S615 S616 V617	D468-K613 WeakPolarHBondContact OD1-CE 3.37Å; D468-K613 IonicContact OD1-NZ 2.71Å; D468-K613 PolarHBondContact OD1-NZ 3.46Å; D470-K613 VanDerWaalsContact OD2-CE 3.32Å; D470-K613 WeakPolarHBondContact OD2-CE 3.48Å; D470-K613 IonicContact OD2-NZ 2.72Å; D470-K613 PolarHBondContact OD2-NZ 2.93Å; K613-S615 PolarHBondContact O-N 3.33Å; K613-S615 VanDerWaalsContact O-N 3.09Å; K613-S616 PolarHBondContact O-N 3.13Å; K613-V617 PolarHBondContact O-N 3.39Å; K613-V617 VanDerWaalsContact O-N 3.09Å
614	N	96.9	Very high	97.5	Very high	130 Å²	130	57.5 Å²	57.5	70%	0.695	28%	0.277	S	S	*	.	H	α-helix	trans	-53	-35.6	176.7	-68	2.5	0	0	0	112.7	S616 V617 E618	N614-S616 VanDerWaalsContact C-N 3.3Å; N614-S616 PolarHBondContact O-N 2.92Å; N614-V617 PolarHBondContact O-N 2.99Å; N614-E618 WeakPolarHBondContact O-CG 3.5Å; N614-E618 PolarHBondContact O-N 2.95Å
615	S	97.3	Very high	97.5	Very high	74 Å²	74	57.5 Å²	57.5	52%	0.517	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-39.2	175.9	54.7	0	0	0	0	113.1	K613 A619	K613-S615 PolarHBondContact O-N 3.33Å; K613-S615 VanDerWaalsContact O-N 3.09Å; S615-A619 VanDerWaalsContact O-CB 3.31Å; S615-A619 WeakPolarHBondContact O-CB 3.31Å; S615-A619 PolarHBondContact O-N 2.81Å
616	S	97.9	Very high	97.5	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.014	27%	0.268	C	S	.	.	H	α-helix	trans	-78.1	-33.4	179	-69	0	0	0	0	111.6	D468 K613 N614 A619 F620	D468-S616 PolarHBondContact N-OG 2.7Å; D468-S616 PolarHBondContact OD2-OG 2.87Å; K613-S616 PolarHBondContact O-N 3.13Å; N614-S616 VanDerWaalsContact C-N 3.3Å; N614-S616 PolarHBondContact O-N 2.92Å; S616-A619 PolarHBondContact O-N 3.49Å; S616-F620 WeakPolarHBondContact O-CB 3.46Å; S616-F620 PolarHBondContact O-N 3Å
617	V	97.6	Very high	97.5	Very high	24 Å²	24	55.6 Å²	55.6	15%	0.145	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-47.7	170.4	176.6	0	0	0	0	111.1	W612 K613 N614 A619 F620 K621	W612-V617 HydrophobicContact CB-CG2 3.68Å; W612-V617 HydrophobicContact CE3-CG2 4.14Å; W612-V617 HydrophobicContact CG-CG2 4.49Å; K613-V617 PolarHBondContact O-N 3.39Å; K613-V617 VanDerWaalsContact O-N 3.09Å; N614-V617 PolarHBondContact O-N 2.99Å; V617-A619 VanDerWaalsContact C-N 3.33Å; V617-A619 PolarHBondContact O-N 2.96Å; V617-F620 WeakPolarHBondContact O-CB 3.39Å; V617-F620 PolarHBondContact O-N 3.25Å; V617-K621 WeakPolarHBondContact O-CG 3.49Å; V617-K621 PolarHBondContact O-N 3.25Å
618	E	97.6	Very high	97.5	Very high	89 Å²	89	55.4 Å²	55.4	42%	0.416	27%	0.268	S	S	.	.	H	α-helix	trans	-68.5	-33.1	178.5	-68.1	-54.9	123.7	0	0	112.1	N614 K621 R622	N614-E618 WeakPolarHBondContact O-CG 3.5Å; N614-E618 PolarHBondContact O-N 2.95Å; E618-K621 IonicContact OE1-NZ 3.73Å; E618-K621 PolarHBondContact OE1-NZ 2.92Å; E618-K621 VanDerWaalsContact OE1-NZ 3.14Å; E618-R622 WeakPolarHBondContact O-CG 3.46Å; E618-R622 PolarHBondContact O-N 3.38Å; E618-R622 VanDerWaalsContact O-N 3.17Å; E618-R622 PolarHBondContact O-NH1 2.94Å
619	A	97.8	Very high	97.5	Very high	6 Å²	6	60.2 Å²	60.2	5%	0.05	29%	0.291	C	S	.	.	H	α-helix	trans	-64.8	-45.6	171.2	0	0	0	0	0	111.8	W466 S615 S616 V617 K621 R622 Q623	W466-A619 HydrophobicContact CB-CB 4.34Å; W466-A619 HydrophobicContact CE3-CB 3.95Å; W466-A619 VanDerWaalsContact O-CB 3.25Å; W466-A619 WeakPolarHBondContact O-CB 3.49Å; S615-A619 VanDerWaalsContact O-CB 3.31Å; S615-A619 WeakPolarHBondContact O-CB 3.31Å; S615-A619 PolarHBondContact O-N 2.81Å; S616-A619 PolarHBondContact O-N 3.49Å; V617-A619 VanDerWaalsContact C-N 3.33Å; V617-A619 PolarHBondContact O-N 2.96Å; A619-K621 PolarHBondContact O-N 2.65Å; A619-R622 VanDerWaalsContact CA-NH2 3.3Å; A619-R622 WeakPolarHBondContact O-CB 3.49Å; A619-R622 PolarHBondContact O-N 3.1Å; A619-R622 VanDerWaalsContact O-N 3.13Å; A619-Q623 WeakPolarHBondContact O-CG 3.35Å; A619-Q623 PolarHBondContact O-N 2.92Å
620	F	98.3	Very high	97.6	Very high	2 Å²	2	55 Å²	55	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-55.4	-49.5	174.4	174.3	-85.9	0	0	0	111.8	W466 F595 D597 W612 S616 V617 R622 Q623 T624 I651 L751 W752	W466-F620 HydrophobicContact CE3-CB 4.41Å; W466-F620 HydrophobicContact CH2-CB 4.08Å; W466-F620 AromaticContact CH2-CD2 3.84Å; W466-F620 HydrophobicContact CH2-CD2 3.84Å; W466-F620 HydrophobicContact CH2-CG 4.48Å; W466-F620 HydrophobicContact CZ2-CD2 4.37Å; W466-F620 HydrophobicContact CZ3-CB 3.75Å; W466-F620 HydrophobicContact CZ3-CD2 4.39Å; F595-F620 WeakPolarHBondContact O-CE2 3.35Å; D597-F620 HydrophobicContact CB-CE1 4.38Å; W612-F620 AromaticContact CH2-CD2 3.8Å; W612-F620 HydrophobicContact CH2-CD2 3.8Å; W612-F620 HydrophobicContact CH2-CE2 4.3Å; W612-F620 HydrophobicContact CH2-CG 4.36Å; W612-F620 HydrophobicContact CZ3-CB 3.75Å; W612-F620 AromaticContact CZ3-CD2 3.76Å; W612-F620 HydrophobicContact CZ3-CD2 3.76Å; W612-F620 AromaticContact CZ3-CG 3.86Å; W612-F620 HydrophobicContact CZ3-CG 3.86Å; S616-F620 WeakPolarHBondContact O-CB 3.46Å; S616-F620 PolarHBondContact O-N 3Å; V617-F620 WeakPolarHBondContact O-CB 3.39Å; V617-F620 PolarHBondContact O-N 3.25Å; F620-R622 VanDerWaalsContact C-N 3.26Å; F620-R622 PolarHBondContact O-N 2.84Å; F620-Q623 PolarHBondContact O-N 3.17Å; F620-T624 HydrophobicContact CD1-CG2 3.96Å; F620-T624 HydrophobicContact CD2-CG2 4.39Å; F620-T624 HydrophobicContact CE1-CG2 3.54Å; F620-T624 HydrophobicContact CE2-CG2 4.03Å; F620-T624 HydrophobicContact CG-CG2 4.36Å; F620-T624 HydrophobicContact CZ-CG2 3.58Å; F620-T624 WeakPolarHBondContact O-CG2 3.38Å; F620-T624 PolarHBondContact O-N 3.02Å; F620-T624 PolarHBondContact O-OG1 3.36Å; F620-I651 HydrophobicContact CZ-CD1 4.23Å; F620-L751 HydrophobicContact CD2-CD1 3.71Å; F620-L751 HydrophobicContact CD2-CD2 4.33Å; F620-L751 HydrophobicContact CD2-CG 4.46Å; F620-L751 HydrophobicContact CE2-CD1 3.98Å; F620-L751 HydrophobicContact CE2-CD2 3.73Å; F620-L751 HydrophobicContact CE2-CG 4.3Å; F620-L751 HydrophobicContact CG-CD1 4.48Å; F620-L751 HydrophobicContact CZ-CD2 4.33Å; F620-W752 HydrophobicContact CD2-CZ2 4Å; F620-W752 AromaticContact CE2-CZ2 3.7Å; F620-W752 HydrophobicContact CE2-CZ2 3.7Å
621	K	97.2	Very high	97.7	Very high	91 Å²	91	50.3 Å²	50.3	40%	0.396	24%	0.242	S	C	.	.	H	α-helix	trans	-57.7	-37.8	177.3	-71	176.4	-177	170.4	0	112.6	V617 E618 A619 T624 Q625	V617-K621 WeakPolarHBondContact O-CG 3.49Å; V617-K621 PolarHBondContact O-N 3.25Å; E618-K621 IonicContact OE1-NZ 3.73Å; E618-K621 PolarHBondContact OE1-NZ 2.92Å; E618-K621 VanDerWaalsContact OE1-NZ 3.14Å; A619-K621 PolarHBondContact O-N 2.65Å; K621-T624 WeakPolarHBondContact CA-OG1 3.45Å; K621-T624 PolarHBondContact O-OG1 2.95Å; K621-T624 VanDerWaalsContact O-OG1 3.14Å; K621-Q625 WeakPolarHBondContact O-CB 3.23Å; K621-Q625 PolarHBondContact O-N 3.2Å; K621-Q625 VanDerWaalsContact O-N 3.11Å
622	R	96.7	Very high	97.7	Very high	154 Å²	154	49.5 Å²	49.5	58%	0.581	25%	0.247	S	C	*	.	H	α-helix	trans	-66.6	-40.2	174.1	-73.1	-173	-63.1	-86	3.3	112.4	E618 A619 F620	E618-R622 WeakPolarHBondContact O-CG 3.46Å; E618-R622 PolarHBondContact O-N 3.38Å; E618-R622 VanDerWaalsContact O-N 3.17Å; E618-R622 PolarHBondContact O-NH1 2.94Å; A619-R622 VanDerWaalsContact CA-NH2 3.3Å; A619-R622 WeakPolarHBondContact O-CB 3.49Å; A619-R622 PolarHBondContact O-N 3.1Å; A619-R622 VanDerWaalsContact O-N 3.13Å; F620-R622 VanDerWaalsContact C-N 3.26Å; F620-R622 PolarHBondContact O-N 2.84Å
623	Q	96.6	Very high	97.7	Very high	68 Å²	68	55.1 Å²	55.1	32%	0.318	28%	0.279	S	S	.	.	H	α-helix	trans	-67.6	-42.7	177.7	-63.2	-53.9	107.8	0	0	111.7	W466 A619 F620 Q625 C626 E750 L751	W466-Q623 HydrophobicContact CB-CG 4.04Å; W466-Q623 HydrophobicContact CD2-CG 4.1Å; W466-Q623 HydrophobicContact CG-CG 3.7Å; A619-Q623 WeakPolarHBondContact O-CG 3.35Å; A619-Q623 PolarHBondContact O-N 2.92Å; F620-Q623 PolarHBondContact O-N 3.17Å; Q623-Q625 VanDerWaalsContact C-N 3.33Å; Q623-Q625 PolarHBondContact O-N 3.33Å; Q623-C626 VanDerWaalsContact O-CB 3.31Å; Q623-C626 WeakPolarHBondContact O-CB 3.29Å; Q623-C626 PolarHBondContact O-N 3.23Å; Q623-E750 PolarHBondContact NE2-O 3.27Å; Q623-L751 HydrophobicContact CB-CD1 3.59Å; Q623-L751 HydrophobicContact CG-CD1 4.28Å
624	T	97.8	Very high	97.8	Very high	10 Å²	10	53 Å²	53	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-70.9	-28.2	-178.7	57.6	0	0	0	0	112.9	F620 K621 C626 M627 V628 I651 L751	F620-T624 HydrophobicContact CD1-CG2 3.96Å; F620-T624 HydrophobicContact CD2-CG2 4.39Å; F620-T624 HydrophobicContact CE1-CG2 3.54Å; F620-T624 HydrophobicContact CE2-CG2 4.03Å; F620-T624 HydrophobicContact CG-CG2 4.36Å; F620-T624 HydrophobicContact CZ-CG2 3.58Å; F620-T624 WeakPolarHBondContact O-CG2 3.38Å; F620-T624 PolarHBondContact O-N 3.02Å; F620-T624 PolarHBondContact O-OG1 3.36Å; K621-T624 WeakPolarHBondContact CA-OG1 3.45Å; K621-T624 PolarHBondContact O-OG1 2.95Å; K621-T624 VanDerWaalsContact O-OG1 3.14Å; T624-C626 PolarHBondContact O-N 3.2Å; T624-M627 PolarHBondContact O-N 3.4Å; T624-V628 PolarHBondContact O-N 3.1Å; T624-V628 VanDerWaalsContact O-N 3.11Å; T624-I651 HydrophobicContact CG2-CD1 3.55Å; T624-I651 HydrophobicContact CG2-CG1 4.27Å; T624-L751 HydrophobicContact CG2-CD1 4.21Å; T624-L751 HydrophobicContact CG2-CD2 3.87Å
625	Q	98.3	Very high	97.8	Very high	81 Å²	81	50 Å²	50	38%	0.379	26%	0.258	S	S	.	.	H	α-helix	trans	-55.7	-32.7	173.4	-176.3	57.8	33.2	0	0	112.5	K621 Q623 M627 V628 E629	K621-Q625 WeakPolarHBondContact O-CB 3.23Å; K621-Q625 PolarHBondContact O-N 3.2Å; K621-Q625 VanDerWaalsContact O-N 3.11Å; Q623-Q625 VanDerWaalsContact C-N 3.33Å; Q623-Q625 PolarHBondContact O-N 3.33Å; Q625-M627 VanDerWaalsContact C-N 3.33Å; Q625-M627 PolarHBondContact O-N 3.47Å; Q625-V628 PolarHBondContact O-N 2.83Å; Q625-E629 WeakPolarHBondContact CG-OE1 3.47Å; Q625-E629 PolarHBondContact NE2-OE1 3.04Å; Q625-E629 WeakPolarHBondContact O-CG 3.35Å; Q625-E629 PolarHBondContact O-N 2.88Å
626	C	98.2	Very high	97.6	Very high	17 Å²	17	48.3 Å²	48.3	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-57.7	-45.1	173	-176	0	0	0	0	112	Q623 T624 E629 Q630 H747 C749	Q623-C626 VanDerWaalsContact O-CB 3.31Å; Q623-C626 WeakPolarHBondContact O-CB 3.29Å; Q623-C626 PolarHBondContact O-N 3.23Å; T624-C626 PolarHBondContact O-N 3.2Å; C626-E629 PolarHBondContact O-N 2.85Å; C626-Q630 VanDerWaalsContact O-CB 3.29Å; C626-Q630 WeakPolarHBondContact O-CB 3.44Å; C626-Q630 PolarHBondContact O-N 3.49Å; C626-H747 VanDerWaalsContact SG-CD2 3.54Å; C626-H747 PolarHBondContact SG-NE2 3.03Å; C626-C749 HydrophobicContact CB-CB 3.79Å; C626-C749 WeakPolarHBondContact CB-SG 3.44Å; C626-C749 PolarHBondContact O-SG 2.94Å; C626-C749 WeakPolarHBondContact SG-CA 3.48Å; C626-C749 WeakPolarHBondContact SG-CB 3.46Å; C626-C749 CovalentContact SG-SG 2.04Å; C626-C749 PolarHBondContact SG-SG 3.28Å
627	M	98.4	Very high	97.3	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.02	27%	0.265	C	S	.	.	H	α-helix	trans	-71.4	-36	179.8	-67.7	-177.5	-179.1	0	0	111.6	T624 Q625 E629 Q630 Y631 L647 I651 N654 C749 L751	T624-M627 PolarHBondContact O-N 3.4Å; Q625-M627 VanDerWaalsContact C-N 3.33Å; Q625-M627 PolarHBondContact O-N 3.47Å; M627-E629 VanDerWaalsContact C-N 3.3Å; M627-E629 PolarHBondContact O-N 3.01Å; M627-Q630 PolarHBondContact O-N 3.48Å; M627-Y631 HydrophobicContact CB-CD2 4.45Å; M627-Y631 WeakPolarHBondContact O-CB 3.47Å; M627-Y631 WeakPolarHBondContact O-CD2 3.42Å; M627-Y631 PolarHBondContact O-N 3.18Å; M627-L647 HydrophobicContact CB-CD1 4.01Å; M627-I651 HydrophobicContact SD-CG1 3.85Å; M627-N654 HydrophobicContact CE-CB 3.59Å; M627-C749 HydrophobicContact CE-CB 4.15Å; M627-C749 HydrophobicContact CG-CB 3.69Å; M627-L751 HydrophobicContact CE-CB 4.49Å
628	V	98.4	Very high	97	Very high	18 Å²	18	61 Å²	61	11%	0.109	30%	0.3	C	S	.	.	H	α-helix	trans	-56.5	-47.7	172.4	175	0	0	0	0	110.5	T624 Q625 G632 K644 L647	T624-V628 PolarHBondContact O-N 3.1Å; T624-V628 VanDerWaalsContact O-N 3.11Å; Q625-V628 PolarHBondContact O-N 2.83Å; V628-G632 PolarHBondContact O-N 2.71Å; V628-K644 HydrophobicContact CG1-CG 3.63Å; V628-K644 HydrophobicContact CG2-CG 4.42Å; V628-L647 HydrophobicContact CG2-CD1 3.77Å; V628-L647 HydrophobicContact CG2-CD2 3.81Å; V628-L647 HydrophobicContact CG2-CG 4.26Å
629	E	98.4	Very high	96.8	Very high	109 Å²	109	59.2 Å²	59.2	51%	0.509	29%	0.292	S	S	.	.	H	α-helix	trans	-69.4	-43.2	179.3	-71	169.6	-164.2	0	0	112.4	Q625 C626 M627 N633	Q625-E629 WeakPolarHBondContact CG-OE1 3.47Å; Q625-E629 PolarHBondContact NE2-OE1 3.04Å; Q625-E629 WeakPolarHBondContact O-CG 3.35Å; Q625-E629 PolarHBondContact O-N 2.88Å; C626-E629 PolarHBondContact O-N 2.85Å; M627-E629 VanDerWaalsContact C-N 3.3Å; M627-E629 PolarHBondContact O-N 3.01Å; E629-N633 PolarHBondContact O-N 3.17Å; E629-N633 PolarHBondContact O-ND2 3.41Å; E629-N633 VanDerWaalsContact O-ND2 3.15Å
630	Q	98.5	Very high	96.7	Very high	25 Å²	25	63.3 Å²	63.3	12%	0.117	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-54.3	178.1	179.5	-172.9	8.9	0	0	111.1	C626 M627 N633 Y634 G723 N727 C749	C626-Q630 VanDerWaalsContact O-CB 3.29Å; C626-Q630 WeakPolarHBondContact O-CB 3.44Å; C626-Q630 PolarHBondContact O-N 3.49Å; M627-Q630 PolarHBondContact O-N 3.48Å; Q630-N633 PolarHBondContact O-N 3.2Å; Q630-Y634 HydrophobicContact CG-CE2 4.29Å; Q630-Y634 PolarHBondContact NE2-OH 3.42Å; Q630-G723 PolarHBondContact NE2-O 2.9Å; Q630-N727 PolarHBondContact NE2-ND2 3.21Å; Q630-N727 PolarHBondContact OE1-ND2 3.36Å; Q630-C749 PolarHBondContact OE1-SG 3.43Å; Q630-C749 VanDerWaalsContact OE1-SG 3.42Å
631	Y	98.4	Very high	96.6	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-76	-30.4	-175.5	-76.7	-101.4	0	0	0	112	M627 N633 Y634 N650 N654 S715 F719 T724	M627-Y631 HydrophobicContact CB-CD2 4.45Å; M627-Y631 WeakPolarHBondContact O-CB 3.47Å; M627-Y631 WeakPolarHBondContact O-CD2 3.42Å; M627-Y631 PolarHBondContact O-N 3.18Å; Y631-N633 PolarHBondContact O-N 2.76Å; Y631-Y634 AromaticContact CD1-CD2 3.92Å; Y631-Y634 HydrophobicContact CD1-CD2 3.92Å; Y631-Y634 AromaticContact CD1-CE2 3.95Å; Y631-Y634 HydrophobicContact CD1-CE2 3.95Å; Y631-Y634 HydrophobicContact CE1-CE2 4.29Å; Y631-Y634 HydrophobicContact CG-CD2 4.2Å; Y631-Y634 HydrophobicContact CG-CE2 4.13Å; Y631-Y634 WeakPolarHBondContact O-CB 3.47Å; Y631-Y634 PolarHBondContact O-N 2.72Å; Y631-Y634 VanDerWaalsContact O-N 3.08Å; Y631-N650 WeakPolarHBondContact CD1-ND2 3.31Å; Y631-N650 WeakPolarHBondContact CD1-OD1 3.17Å; Y631-N650 HydrophobicContact CD2-CB 4.12Å; Y631-N650 HydrophobicContact CE1-CB 4.23Å; Y631-N650 VanDerWaalsContact CE1-CG 3.49Å; Y631-N650 WeakPolarHBondContact CE1-OD1 3.42Å; Y631-N650 HydrophobicContact CE2-CB 3.79Å; Y631-N650 HydrophobicContact CG-CB 4.48Å; Y631-N654 PolarHBondContact OH-ND2 3.18Å; Y631-S715 WeakPolarHBondContact CD1-OG 3.4Å; Y631-S715 WeakPolarHBondContact CE1-OG 3.49Å; Y631-F719 WeakPolarHBondContact CE1-O 3.33Å; Y631-T724 PolarHBondContact OH-N 2.88Å
632	G	97.9	Very high	96.5	Very high	28 Å²	28	62.3 Å²	62.3	29%	0.289	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-20.4	171.8	0	0	0	0	0	114.4	V628	V628-G632 PolarHBondContact O-N 2.71Å
633	N	97.7	Very high	96.6	Very high	139 Å²	139	55.1 Å²	55.1	74%	0.743	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-7.3	174.8	-75.7	-30.6	0	0	0	113.7	E629 Q630 Y631	E629-N633 PolarHBondContact O-N 3.17Å; E629-N633 PolarHBondContact O-ND2 3.41Å; E629-N633 VanDerWaalsContact O-ND2 3.15Å; Q630-N633 PolarHBondContact O-N 3.2Å; Y631-N633 PolarHBondContact O-N 2.76Å
634	Y	98.1	Very high	96.6	Very high	43 Å²	43	58 Å²	58	17%	0.169	30%	0.302	C	S	.	.			trans	-83.9	151.7	173.9	-61.4	-36.7	0	0	0	111.2	Q630 Y631 P640 L641 F719 I722	Q630-Y634 HydrophobicContact CG-CE2 4.29Å; Q630-Y634 PolarHBondContact NE2-OH 3.42Å; Y631-Y634 AromaticContact CD1-CD2 3.92Å; Y631-Y634 HydrophobicContact CD1-CD2 3.92Å; Y631-Y634 AromaticContact CD1-CE2 3.95Å; Y631-Y634 HydrophobicContact CD1-CE2 3.95Å; Y631-Y634 HydrophobicContact CE1-CE2 4.29Å; Y631-Y634 HydrophobicContact CG-CD2 4.2Å; Y631-Y634 HydrophobicContact CG-CE2 4.13Å; Y631-Y634 WeakPolarHBondContact O-CB 3.47Å; Y631-Y634 PolarHBondContact O-N 2.72Å; Y631-Y634 VanDerWaalsContact O-N 3.08Å; Y634-P640 WeakPolarHBondContact O-CA 3.38Å; Y634-L641 HydrophobicContact CD2-CD1 4.5Å; Y634-L641 PolarHBondContact O-N 3.44Å; Y634-F719 AromaticContact CD1-CD1 3.88Å; Y634-F719 HydrophobicContact CD1-CD1 3.88Å; Y634-F719 AromaticContact CD1-CE1 3.86Å; Y634-F719 HydrophobicContact CD1-CE1 3.86Å; Y634-F719 HydrophobicContact CD2-CB 3.95Å; Y634-F719 AromaticContact CD2-CD1 3.55Å; Y634-F719 HydrophobicContact CD2-CD1 3.55Å; Y634-F719 HydrophobicContact CD2-CE1 4.28Å; Y634-F719 AromaticContact CD2-CG 3.88Å; Y634-F719 HydrophobicContact CD2-CG 3.88Å; Y634-F719 HydrophobicContact CE1-CD1 4.42Å; Y634-F719 HydrophobicContact CE2-CB 4.44Å; Y634-F719 HydrophobicContact CE2-CD1 4.13Å; Y634-F719 AromaticContact CG-CD1 3.42Å; Y634-F719 HydrophobicContact CG-CD1 3.42Å; Y634-F719 VanDerWaalsContact CG-CD1 3.42Å; Y634-F719 AromaticContact CG-CE1 3.67Å; Y634-F719 HydrophobicContact CG-CE1 3.67Å; Y634-F719 HydrophobicContact CG-CG 4.04Å; Y634-F719 HydrophobicContact CG-CZ 4.44Å; Y634-I722 HydrophobicContact CE1-CG2 4.45Å
635	S	96.8	Very high	96.5	Very high	66 Å²	66	58.1 Å²	58.1	46%	0.462	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.6	174.8	60.5	0	0	0	0	111.7	E639 F719	S635-E639 CarbonylContact C-O 3.03Å; S635-E639 WeakPolarHBondContact CA-O 3.41Å; S635-E639 VanDerWaalsContact CB-O 3.25Å; S635-E639 WeakPolarHBondContact CB-O 3.38Å; S635-F719 VanDerWaalsContact O-CZ 3.28Å; S635-F719 WeakPolarHBondContact O-CZ 3.32Å
636	I	93.9	Very high	96.5	Very high	39 Å²	39	54.6 Å²	54.6	20%	0.2	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.5	171.1	-168.5	166.3	0	0	0	108.2	K638 E639 L641 V709 P716 F719	I636-K638 PolarHBondContact O-N 3.39Å; I636-E639 PolarHBondContact N-O 3.02Å; I636-E639 WeakPolarHBondContact O-CB 3.5Å; I636-E639 PolarHBondContact O-N 3.27Å; I636-L641 HydrophobicContact CG2-CD2 4.21Å; I636-V709 HydrophobicContact CG2-CG2 3.42Å; I636-V709 VanDerWaalsContact CG2-CG2 3.42Å; I636-P716 HydrophobicContact CD1-CB 4.41Å; I636-F719 HydrophobicContact CB-CE2 4.34Å
637	N	91.1	Very high	96.5	Very high	91 Å²	91	54.5 Å²	54.5	49%	0.487	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	30.3	-175.3	-56.8	-23.1	0	0	0	114.3	E639 S705	N637-E639 PolarHBondContact O-N 3.35Å; N637-S705 WeakPolarHBondContact ND2-CB 3.48Å
638	K	91.6	Very high	96.5	Very high	201 Å²	201	54.3 Å²	54.3	87%	0.874	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	12.9	-174.4	-48.7	175.2	-178.7	176.5	0	114.9	I636	I636-K638 PolarHBondContact O-N 3.39Å
639	E	92.6	Very high	96.5	Very high	52 Å²	52	54.7 Å²	54.7	24%	0.243	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.6	172.8	-58.6	178.4	-126.7	0	0	108.9	S635 I636 N637 H706 V709	S635-E639 CarbonylContact C-O 3.03Å; S635-E639 WeakPolarHBondContact CA-O 3.41Å; S635-E639 VanDerWaalsContact CB-O 3.25Å; S635-E639 WeakPolarHBondContact CB-O 3.38Å; I636-E639 PolarHBondContact N-O 3.02Å; I636-E639 WeakPolarHBondContact O-CB 3.5Å; I636-E639 PolarHBondContact O-N 3.27Å; N637-E639 PolarHBondContact O-N 3.35Å; E639-H706 VanDerWaalsContact CD-ND1 3.33Å; E639-H706 IonicContact OE1-CG 2.67Å; E639-H706 IonicContact OE1-ND1 3.38Å; E639-H706 PolarHBondContact OE1-ND1 3.21Å; E639-H706 IonicContact OE2-CE1 3.4Å; E639-H706 IonicContact OE2-CG 3.14Å; E639-H706 IonicContact OE2-ND1 3.9Å; E639-H706 PolarHBondContact OE2-ND1 3.01Å; E639-V709 HydrophobicContact CB-CG1 4.49Å
640	P	95.6	Very high	96.5	Very high	91 Å²	91	49.5 Å²	49.5	59%	0.591	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	145.9	178.4	30.1	-34.2	0	0	0	110.5	Y634	Y634-P640 WeakPolarHBondContact O-CA 3.38Å
641	L	96.8	Very high	96.5	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.058	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-75.5	149.2	170.2	-54.7	-172.6	0	0	0	110.5	Y634 I636 G643 V709 P716 F719	Y634-L641 HydrophobicContact CD2-CD1 4.5Å; Y634-L641 PolarHBondContact O-N 3.44Å; I636-L641 HydrophobicContact CG2-CD2 4.21Å; L641-G643 PolarHBondContact O-N 3.19Å; L641-V709 HydrophobicContact CD2-CG2 3.9Å; L641-P716 HydrophobicContact CD1-CG 4.44Å; L641-P716 HydrophobicContact CD2-CG 3.86Å; L641-F719 HydrophobicContact CD1-CB 4.17Å; L641-F719 HydrophobicContact CD1-CD2 3.68Å; L641-F719 HydrophobicContact CD1-CE2 4.32Å; L641-F719 HydrophobicContact CD1-CG 4.05Å
642	N	95.9	Very high	96.5	Very high	62 Å²	62	48.3 Å²	48.3	33%	0.332	25%	0.254	S	S	.	.			trans	-89.1	96.1	170.9	-174.5	-19.3	0	0	0	110	K644 H645 T646	N642-K644 PolarHBondContact O-N 3.22Å; N642-K644 WeakPolarHBondContact OD1-CB 3.47Å; N642-K644 PolarHBondContact OD1-N 3.01Å; N642-K644 VanDerWaalsContact OD1-N 3.1Å; N642-H645 HydrophobicContact CB-CB 3.74Å; N642-H645 PolarHBondContact O-N 2.95Å; N642-H645 VanDerWaalsContact O-N 3.15Å; N642-H645 PolarHBondContact OD1-N 3.21Å; N642-T646 PolarHBondContact O-N 2.61Å; N642-T646 VanDerWaalsContact O-N 3.08Å; N642-T646 PolarHBondContact O-OG1 2.71Å
643	G	97.2	Very high	96.6	Very high	3 Å²	3	47.1 Å²	47.1	3%	0.031	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.2	-179.7	0	0	0	0	0	115	L641	L641-G643 PolarHBondContact O-N 3.19Å
644	K	96.8	Very high	96.6	Very high	128 Å²	128	41.3 Å²	41.3	56%	0.557	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-43.1	171.6	-66.3	-176.5	178.5	-179.3	0	111.3	V628 N642 T646 L647	V628-K644 HydrophobicContact CG1-CG 3.63Å; V628-K644 HydrophobicContact CG2-CG 4.42Å; N642-K644 PolarHBondContact O-N 3.22Å; N642-K644 WeakPolarHBondContact OD1-CB 3.47Å; N642-K644 PolarHBondContact OD1-N 3.01Å; N642-K644 VanDerWaalsContact OD1-N 3.1Å; K644-T646 VanDerWaalsContact C-N 3.28Å; K644-T646 PolarHBondContact O-N 2.98Å; K644-L647 WeakPolarHBondContact O-CB 3.04Å; K644-L647 PolarHBondContact O-N 2.71Å
645	H	95.7	Very high	96.6	Very high	12 Å²	12	39.5 Å²	39.5	6%	0.056	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-41	177.5	-179.6	61.1	0	0	0	111.4	R307 N642 D712 P713	R307-H645 PolarHBondContact NH1-O 3.13Å; N642-H645 HydrophobicContact CB-CB 3.74Å; N642-H645 PolarHBondContact O-N 2.95Å; N642-H645 VanDerWaalsContact O-N 3.15Å; N642-H645 PolarHBondContact OD1-N 3.21Å; H645-D712 PolarHBondContact CD2-O 3.22Å; H645-D712 VanDerWaalsContact CD2-O 3.3Å; H645-D712 PolarHBondContact NE2-O 3.36Å; H645-D712 VanDerWaalsContact NE2-O 3.14Å; H645-P713 WeakPolarHBondContact NE2-CA 3.37Å
646	T	98	Very high	96.7	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.043	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	5.6	-176.4	60.3	0	0	0	0	115.4	N642 K644 G648 E649 N650 P713	N642-T646 PolarHBondContact O-N 2.61Å; N642-T646 VanDerWaalsContact O-N 3.08Å; N642-T646 PolarHBondContact O-OG1 2.71Å; K644-T646 VanDerWaalsContact C-N 3.28Å; K644-T646 PolarHBondContact O-N 2.98Å; T646-G648 PolarHBondContact O-N 3.37Å; T646-E649 PolarHBondContact O-N 2.96Å; T646-N650 WeakPolarHBondContact CB-ND2 3.46Å; T646-N650 WeakPolarHBondContact O-CB 3.49Å; T646-N650 PolarHBondContact O-N 3.06Å; T646-N650 PolarHBondContact O-ND2 3.49Å; T646-N650 PolarHBondContact O-OD1 2.04Å; T646-N650 PolarHBondContact OG1-ND2 2.67Å; T646-P713 WeakPolarHBondContact CA-O 3.36Å; T646-P713 WeakPolarHBondContact CB-O 3.41Å; T646-P713 WeakPolarHBondContact CG2-O 3.43Å
647	L	98.3	Very high	96.9	Very high	15 Å²	15	34.7 Å²	34.7	8%	0.079	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-48.3	-166.6	-177.8	57.3	0	0	0	113.7	D597 M627 V628 K644 E649 N650 I651	D597-L647 HydrophobicContact CB-CD2 4.28Å; M627-L647 HydrophobicContact CB-CD1 4.01Å; V628-L647 HydrophobicContact CG2-CD1 3.77Å; V628-L647 HydrophobicContact CG2-CD2 3.81Å; V628-L647 HydrophobicContact CG2-CG 4.26Å; K644-L647 WeakPolarHBondContact O-CB 3.04Å; K644-L647 PolarHBondContact O-N 2.71Å; L647-E649 PolarHBondContact O-N 2.91Å; L647-N650 PolarHBondContact O-N 3.4Å; L647-I651 HydrophobicContact CD1-CD1 3.95Å; L647-I651 HydrophobicContact CD1-CG1 4.13Å; L647-I651 HydrophobicContact CG-CD1 3.82Å; L647-I651 HydrophobicContact CG-CG1 4.44Å; L647-I651 VanDerWaalsContact O-CG1 3.3Å; L647-I651 WeakPolarHBondContact O-CG1 3.02Å; L647-I651 PolarHBondContact O-N 3.07Å
648	G	98.1	Very high	97.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-46.2	-178.1	0	0	0	0	0	112.4	D597 T646 N650 I651 A652	D597-G648 WeakPolarHBondContact OD1-CA 3.21Å; D597-G648 PolarHBondContact OD1-N 3.33Å; T646-G648 PolarHBondContact O-N 3.37Å; G648-N650 PolarHBondContact O-N 3.05Å; G648-I651 WeakPolarHBondContact O-CB 3.48Å; G648-I651 PolarHBondContact O-N 2.96Å; G648-A652 WeakPolarHBondContact O-CB 3.41Å; G648-A652 PolarHBondContact O-N 3.02Å
649	E	98.6	Very high	97.6	Very high	26 Å²	26	23.8 Å²	23.8	12%	0.121	12%	0.123	C	C	.	.	H	α-helix	trans	-64.8	-39.4	177.5	-62.1	-55.2	144.3	0	0	112.6	H589 H593 T646 L647 A652 D653 P713 H714 R720	H589-E649 IonicContact CE1-OE2 2.68Å; H589-E649 PolarHBondContact CE1-OE2 3.12Å; H589-E649 IonicContact NE2-OE2 3.37Å; H589-E649 PolarHBondContact NE2-OE2 3.31Å; H589-E649 VanDerWaalsContact NE2-OE2 3.15Å; H593-E649 IonicContact CE1-OE1 3.73Å; H593-E649 PolarHBondContact CE1-OE1 2.87Å; H593-E649 IonicContact CE1-OE2 3.58Å; H593-E649 IonicContact NE2-OE1 2.7Å; H593-E649 IonicContact NE2-OE2 3.26Å; T646-E649 PolarHBondContact O-N 2.96Å; L647-E649 PolarHBondContact O-N 2.91Å; E649-A652 PolarHBondContact O-N 3.08Å; E649-D653 PolarHBondContact O-N 2.89Å; E649-P713 HydrophobicContact CG-CB 4.24Å; E649-P713 WeakPolarHBondContact CG-O 3.46Å; E649-H714 HydrophobicContact CG-CB 4.44Å; E649-H714 VanDerWaalsContact CG-CD2 3.42Å; E649-H714 WeakPolarHBondContact CG-CD2 3.49Å; E649-H714 IonicContact OE1-NE2 3.76Å; E649-H714 IonicContact OE2-CD2 3.46Å; E649-H714 PolarHBondContact OE2-CD2 2.99Å; E649-H714 IonicContact OE2-NE2 2.61Å; E649-H714 PolarHBondContact OE2-NE2 3.36Å; E649-R720 IonicContact OE2-NH2 3.09Å
650	N	98.8	Very high	97.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67	-39.6	176.6	-61.9	-27.6	0	0	0	111.2	Y631 T646 L647 G648 A652 N654 S715	Y631-N650 WeakPolarHBondContact CD1-ND2 3.31Å; Y631-N650 WeakPolarHBondContact CD1-OD1 3.17Å; Y631-N650 HydrophobicContact CD2-CB 4.12Å; Y631-N650 HydrophobicContact CE1-CB 4.23Å; Y631-N650 VanDerWaalsContact CE1-CG 3.49Å; Y631-N650 WeakPolarHBondContact CE1-OD1 3.42Å; Y631-N650 HydrophobicContact CE2-CB 3.79Å; Y631-N650 HydrophobicContact CG-CB 4.48Å; T646-N650 WeakPolarHBondContact CB-ND2 3.46Å; T646-N650 WeakPolarHBondContact O-CB 3.49Å; T646-N650 PolarHBondContact O-N 3.06Å; T646-N650 PolarHBondContact O-ND2 3.49Å; T646-N650 PolarHBondContact O-OD1 2.04Å; T646-N650 PolarHBondContact OG1-ND2 2.67Å; L647-N650 PolarHBondContact O-N 3.4Å; G648-N650 PolarHBondContact O-N 3.05Å; N650-A652 VanDerWaalsContact C-N 3.33Å; N650-N654 PolarHBondContact O-N 3.3Å; N650-N654 VanDerWaalsContact O-N 3.13Å; N650-N654 PolarHBondContact O-ND2 3.49Å; N650-S715 WeakPolarHBondContact OD1-CB 3.29Å; N650-S715 PolarHBondContact OD1-OG 3.25Å
651	I	98.8	Very high	98.1	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-59.5	-48	172.9	-72.7	165.4	0	0	0	109.8	T592 D596 D597 F620 T624 M627 L647 G648 N654 G655 L751	T592-I651 HydrophobicContact CG2-CG2 3.94Å; D596-I651 HydrophobicContact CB-CB 4.32Å; D596-I651 HydrophobicContact CB-CD1 4.5Å; D596-I651 HydrophobicContact CB-CG2 3.99Å; D597-I651 HydrophobicContact CB-CD1 4.49Å; F620-I651 HydrophobicContact CZ-CD1 4.23Å; T624-I651 HydrophobicContact CG2-CD1 3.55Å; T624-I651 HydrophobicContact CG2-CG1 4.27Å; M627-I651 HydrophobicContact SD-CG1 3.85Å; L647-I651 HydrophobicContact CD1-CD1 3.95Å; L647-I651 HydrophobicContact CD1-CG1 4.13Å; L647-I651 HydrophobicContact CG-CD1 3.82Å; L647-I651 HydrophobicContact CG-CG1 4.44Å; L647-I651 VanDerWaalsContact O-CG1 3.3Å; L647-I651 WeakPolarHBondContact O-CG1 3.02Å; L647-I651 PolarHBondContact O-N 3.07Å; G648-I651 WeakPolarHBondContact O-CB 3.48Å; G648-I651 PolarHBondContact O-N 2.96Å; I651-N654 PolarHBondContact O-N 3.31Å; I651-G655 PolarHBondContact O-N 3.48Å; I651-L751 HydrophobicContact CB-CD2 4.34Å; I651-L751 HydrophobicContact CD1-CD2 4.09Å; I651-L751 HydrophobicContact CG1-CD2 3.88Å; I651-L751 HydrophobicContact CG2-CD2 3.59Å
652	A	98.8	Very high	98.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.4	-40.7	-178.5	0	0	0	0	0	112.7	H589 T592 G648 E649 N650 G656	H589-A652 WeakPolarHBondContact CE1-CB 3.23Å; H589-A652 VanDerWaalsContact ND1-C 3.26Å; H589-A652 VanDerWaalsContact ND1-CB 3.3Å; H589-A652 WeakPolarHBondContact ND1-CB 3.35Å; T592-A652 HydrophobicContact CG2-CB 4.47Å; G648-A652 WeakPolarHBondContact O-CB 3.41Å; G648-A652 PolarHBondContact O-N 3.02Å; E649-A652 PolarHBondContact O-N 3.08Å; N650-A652 VanDerWaalsContact C-N 3.33Å; A652-G656 WeakPolarHBondContact O-CA 3.44Å; A652-G656 PolarHBondContact O-N 3.48Å
653	D	98.9	Very high	98.3	Very high	2 Å²	2	17 Å²	17	1%	0.011	8%	0.08	C	C	.	.	H	α-helix	trans	-59.7	-47.7	172.9	-80.9	-14.9	0	0	0	112.8	H589 E649 L657 R720 T724	H589-D653 IonicContact CE1-OD1 2.66Å; H589-D653 PolarHBondContact CE1-OD1 3.45Å; H589-D653 PolarHBondContact ND1-N 3.2Å; H589-D653 IonicContact ND1-OD1 3.15Å; H589-D653 PolarHBondContact ND1-OD1 3.24Å; H589-D653 VanDerWaalsContact ND1-OD1 3.09Å; E649-D653 PolarHBondContact O-N 2.89Å; D653-L657 WeakPolarHBondContact O-CB 3.25Å; D653-L657 PolarHBondContact O-N 2.81Å; D653-R720 IonicContact OD1-CZ 2.65Å; D653-R720 IonicContact OD1-NE 2.76Å; D653-R720 PolarHBondContact OD1-NE 2.84Å; D653-R720 IonicContact OD1-NH2 2.95Å; D653-R720 PolarHBondContact OD1-NH2 2.99Å; D653-R720 WeakPolarHBondContact OD2-CB 3.5Å; D653-R720 VanDerWaalsContact OD2-CG 3.29Å; D653-R720 WeakPolarHBondContact OD2-CG 3.48Å; D653-R720 IonicContact OD2-CZ 2.66Å; D653-R720 IonicContact OD2-NE 3.21Å; D653-R720 PolarHBondContact OD2-NE 3.33Å; D653-R720 IonicContact OD2-NH2 3.26Å; D653-T724 HydrophobicContact CB-CG2 4.4Å; D653-T724 WeakPolarHBondContact CB-OG1 3.48Å; D653-T724 WeakPolarHBondContact O-CG2 2.96Å
654	N	98.8	Very high	98.3	Very high	18 Å²	18	16.8 Å²	16.8	10%	0.096	8%	0.078	C	C	.	.	H	α-helix	trans	-67.8	-45.9	-177.4	-79.4	-97.2	0	0	0	111.7	M627 Y631 N650 I651 K658 N727	M627-N654 HydrophobicContact CE-CB 3.59Å; Y631-N654 PolarHBondContact OH-ND2 3.18Å; N650-N654 PolarHBondContact O-N 3.3Å; N650-N654 VanDerWaalsContact O-N 3.13Å; N650-N654 PolarHBondContact O-ND2 3.49Å; I651-N654 PolarHBondContact O-N 3.31Å; N654-K658 WeakPolarHBondContact O-CB 3.44Å; N654-K658 PolarHBondContact O-N 3.08Å; N654-N727 VanDerWaalsContact OD1-CB 3.3Å; N654-N727 WeakPolarHBondContact OD1-CB 3.42Å; N654-N727 PolarHBondContact OD1-ND2 3.48Å
655	G	98.4	Very high	98.4	Very high	5 Å²	5	12.5 Å²	12.5	5%	0.052	6%	0.063	C	C	.	.	H	α-helix	trans	-65.6	-43.1	175.4	0	0	0	0	0	112.2	I651 K658 A659	I651-G655 PolarHBondContact O-N 3.48Å; G655-K658 PolarHBondContact O-N 3.37Å; G655-A659 WeakPolarHBondContact O-CB 3.5Å; G655-A659 PolarHBondContact O-N 3.02Å
656	G	98.4	Very high	98.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.3	-46.2	-179.2	0	0	0	0	0	113.5	G588 T592 A652 K658 A659 A660	G588-G656 WeakPolarHBondContact O-CA 3.43Å; T592-G656 PolarHBondContact OG1-N 2.92Å; A652-G656 WeakPolarHBondContact O-CA 3.44Å; A652-G656 PolarHBondContact O-N 3.48Å; G656-K658 VanDerWaalsContact C-N 3.34Å; G656-K658 PolarHBondContact O-N 2.86Å; G656-A659 PolarHBondContact O-N 3.35Å; G656-A660 VanDerWaalsContact O-CB 3.23Å; G656-A660 WeakPolarHBondContact O-CB 3.16Å; G656-A660 PolarHBondContact O-N 3.48Å
657	L	98.8	Very high	98.5	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.021	8%	0.078	C	C	.	.	H	α-helix	trans	-60.6	-44.6	175.8	-175.6	71.5	0	0	0	111.4	V585 D653 Y661 F688 F689 F692 T724 I725	V585-L657 HydrophobicContact CG1-CB 4.44Å; V585-L657 HydrophobicContact CG2-CD1 3.77Å; D653-L657 WeakPolarHBondContact O-CB 3.25Å; D653-L657 PolarHBondContact O-N 2.81Å; L657-Y661 WeakPolarHBondContact O-CB 3.37Å; L657-Y661 PolarHBondContact O-N 3.41Å; L657-F688 HydrophobicContact CD1-CE1 3.57Å; L657-F688 HydrophobicContact CD1-CZ 3.92Å; L657-F688 HydrophobicContact CG-CE1 4.38Å; L657-F689 HydrophobicContact CD2-CD1 4.45Å; L657-F689 HydrophobicContact CD2-CE1 4.24Å; L657-F692 HydrophobicContact CD1-CB 4.01Å; L657-F692 HydrophobicContact CD1-CD1 3.94Å; L657-F692 HydrophobicContact CD1-CD2 3.77Å; L657-F692 HydrophobicContact CD1-CE1 4.37Å; L657-F692 HydrophobicContact CD1-CE2 4.19Å; L657-F692 HydrophobicContact CD1-CG 3.6Å; L657-F692 HydrophobicContact CD1-CZ 4.48Å; L657-F692 HydrophobicContact CD2-CD1 4.49Å; L657-F692 HydrophobicContact CD2-CE1 4.33Å; L657-T724 HydrophobicContact CB-CG2 3.66Å; L657-T724 HydrophobicContact CD2-CG2 3.44Å; L657-T724 VanDerWaalsContact CD2-CG2 3.44Å; L657-T724 HydrophobicContact CG-CG2 4.15Å; L657-I725 HydrophobicContact CD2-CG2 4.11Å
658	K	98.4	Very high	98.4	Very high	58 Å²	58	16.1 Å²	16.1	25%	0.252	8%	0.079	S	C	.	.	H	α-helix	trans	-65.8	-45.7	-178.7	-177.4	176.7	168.1	-171.9	0	111.8	N654 G655 G656 Y661 K662 E750 W752	N654-K658 WeakPolarHBondContact O-CB 3.44Å; N654-K658 PolarHBondContact O-N 3.08Å; G655-K658 PolarHBondContact O-N 3.37Å; G656-K658 VanDerWaalsContact C-N 3.34Å; G656-K658 PolarHBondContact O-N 2.86Å; K658-Y661 PolarHBondContact O-N 2.04Å; K658-K662 WeakPolarHBondContact O-CB 3.28Å; K658-K662 PolarHBondContact O-N 3.47Å; K658-E750 IonicContact NZ-OE1 3.51Å; K658-E750 PolarHBondContact NZ-OE1 3.43Å; K658-W752 WeakPolarHBondContact CD-O 3.41Å; K658-W752 WeakPolarHBondContact CE-O 3.28Å; K658-W752 PolarHBondContact NZ-O 3.49Å
659	A	98.4	Very high	98.3	Very high	5 Å²	5	23.5 Å²	23.5	4%	0.041	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-46.5	177.2	0	0	0	0	0	111.3	I453 A456 F457 G655 G656 Y661 K662 A663	I453-A659 HydrophobicContact CG2-CB 4.15Å; A456-A659 WeakPolarHBondContact CB-O 3.44Å; F457-A659 HydrophobicContact CB-CB 4.26Å; G655-A659 WeakPolarHBondContact O-CB 3.5Å; G655-A659 PolarHBondContact O-N 3.02Å; G656-A659 PolarHBondContact O-N 3.35Å; A659-Y661 PolarHBondContact O-N 3.29Å; A659-K662 PolarHBondContact O-N 3.27Å; A659-A663 WeakPolarHBondContact O-CB 3.39Å; A659-A663 PolarHBondContact O-N 3.19Å
660	A	98.8	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.7	-41.6	178.3	0	0	0	0	0	112.6	V585 G656 A663 Y664 F688	V585-A660 HydrophobicContact CG2-CB 3.86Å; G656-A660 VanDerWaalsContact O-CB 3.23Å; G656-A660 WeakPolarHBondContact O-CB 3.16Å; G656-A660 PolarHBondContact O-N 3.48Å; A660-A663 PolarHBondContact O-N 3.16Å; A660-Y664 WeakPolarHBondContact O-CB 3.11Å; A660-Y664 PolarHBondContact O-N 2.82Å; A660-F688 HydrophobicContact CB-CE2 4.25Å; A660-F688 HydrophobicContact CB-CZ 4.13Å
661	Y	98.8	Very high	98	Very high	20 Å²	20	32.9 Å²	32.9	8%	0.078	16%	0.156	C	C	.	.	H	α-helix	trans	-66.6	-41.7	177.3	-175.1	-99.8	0	0	0	111.9	L657 K658 A659 A663 Y664 V665 H685 F688 F689 E730 H734	L657-Y661 WeakPolarHBondContact O-CB 3.37Å; L657-Y661 PolarHBondContact O-N 3.41Å; K658-Y661 PolarHBondContact O-N 2.04Å; A659-Y661 PolarHBondContact O-N 3.29Å; Y661-A663 VanDerWaalsContact C-N 3.34Å; Y661-A663 PolarHBondContact O-N 3.02Å; Y661-Y664 WeakPolarHBondContact O-CB 3.48Å; Y661-Y664 PolarHBondContact O-N 3.46Å; Y661-V665 HydrophobicContact CD1-CG2 4.22Å; Y661-V665 HydrophobicContact CE1-CG2 3.68Å; Y661-V665 WeakPolarHBondContact O-CG2 3.46Å; Y661-V665 PolarHBondContact O-N 3.3Å; Y661-H685 AromaticContact CE2-ND1 3.92Å; Y661-H685 AromaticContact CZ-ND1 3.83Å; Y661-H685 PolarHBondContact OH-ND1 3.29Å; Y661-H685 VanDerWaalsContact OH-ND1 3.08Å; Y661-F688 AromaticContact CD2-CD1 3.52Å; Y661-F688 HydrophobicContact CD2-CD1 3.52Å; Y661-F688 HydrophobicContact CD2-CD2 4.32Å; Y661-F688 AromaticContact CD2-CE1 3.6Å; Y661-F688 HydrophobicContact CD2-CE1 3.6Å; Y661-F688 HydrophobicContact CD2-CE2 4.37Å; Y661-F688 AromaticContact CD2-CG 3.93Å; Y661-F688 HydrophobicContact CD2-CG 3.93Å; Y661-F688 HydrophobicContact CD2-CZ 4.05Å; Y661-F688 HydrophobicContact CE2-CD1 4.26Å; Y661-F688 HydrophobicContact CG-CD1 4.46Å; Y661-F688 HydrophobicContact CG-CE1 4.11Å; Y661-F688 HydrophobicContact CG-CZ 4.34Å; Y661-F689 HydrophobicContact CD2-CE2 4.1Å; Y661-F689 AromaticContact CD2-CZ 3.82Å; Y661-F689 HydrophobicContact CD2-CZ 3.82Å; Y661-F689 AromaticContact CE2-CE2 3.76Å; Y661-F689 HydrophobicContact CE2-CE2 3.76Å; Y661-F689 AromaticContact CE2-CZ 3.87Å; Y661-F689 HydrophobicContact CE2-CZ 3.87Å; Y661-F689 HydrophobicContact CG-CZ 4.28Å; Y661-E730 HydrophobicContact CD1-CB 3.94Å; Y661-E730 HydrophobicContact CD1-CG 3.75Å; Y661-E730 HydrophobicContact CE1-CB 3.54Å; Y661-E730 HydrophobicContact CE1-CG 3.48Å; Y661-E730 VanDerWaalsContact CE1-CG 3.48Å; Y661-H734 AromaticContact CZ-NE2 3.92Å; Y661-H734 PolarHBondContact OH-CD2 2.93Å; Y661-H734 PolarHBondContact OH-NE2 2.8Å
662	K	98.4	Very high	97.7	Very high	51 Å²	51	34 Å²	34	22%	0.222	17%	0.168	C	C	.	.	H	α-helix	trans	-63.9	-39.9	174.9	-178.7	170.6	176.5	175.4	0	111.7	A456 D459 S460 K658 A659 V665 N666	A456-K662 HydrophobicContact CB-CB 4.05Å; A456-K662 HydrophobicContact CB-CD 4.37Å; A456-K662 HydrophobicContact CB-CG 3.97Å; A456-K662 WeakPolarHBondContact O-CD 3.34Å; D459-K662 PolarHBondContact O-NZ 3.22Å; D459-K662 VanDerWaalsContact O-NZ 3.08Å; S460-K662 VanDerWaalsContact CA-NZ 3.35Å; K658-K662 WeakPolarHBondContact O-CB 3.28Å; K658-K662 PolarHBondContact O-N 3.47Å; A659-K662 PolarHBondContact O-N 3.27Å; K662-V665 PolarHBondContact O-N 3.24Å; K662-N666 PolarHBondContact O-N 3Å
663	A	98.6	Very high	97.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-61.5	-44.4	173.8	0	0	0	0	0	111.5	I453 A456 F580 A659 A660 Y661 V665 N666 W667	I453-A663 HydrophobicContact CG1-CB 3.88Å; A456-A663 HydrophobicContact CB-CB 3.81Å; F580-A663 HydrophobicContact CD1-CB 4.1Å; F580-A663 HydrophobicContact CE1-CB 3.64Å; F580-A663 HydrophobicContact CZ-CB 4.45Å; A659-A663 WeakPolarHBondContact O-CB 3.39Å; A659-A663 PolarHBondContact O-N 3.19Å; A660-A663 PolarHBondContact O-N 3.16Å; Y661-A663 VanDerWaalsContact C-N 3.34Å; Y661-A663 PolarHBondContact O-N 3.02Å; A663-V665 PolarHBondContact O-N 2.89Å; A663-N666 WeakPolarHBondContact O-CB 3.45Å; A663-N666 PolarHBondContact O-N 2.85Å; A663-W667 WeakPolarHBondContact O-CB 3.37Å; A663-W667 PolarHBondContact O-N 2.9Å
664	Y	98.6	Very high	97.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-44.8	175.1	176.4	-124.2	0	0	0	112.7	K576 A577 F580 A660 Y661 N666 W667 I668 N684 H685 F688	K576-Y664 HydrophobicContact CB-CE2 4.32Å; A577-Y664 HydrophobicContact CB-CE1 4.3Å; A577-Y664 HydrophobicContact CB-CE2 4.09Å; F580-Y664 HydrophobicContact CB-CD2 4.45Å; F580-Y664 HydrophobicContact CB-CG 4.35Å; F580-Y664 AromaticContact CD2-CD2 3.66Å; F580-Y664 HydrophobicContact CD2-CD2 3.66Å; F580-Y664 HydrophobicContact CD2-CG 4.21Å; F580-Y664 HydrophobicContact CE2-CD2 4.26Å; F580-Y664 HydrophobicContact CG-CD2 4.33Å; F580-Y664 HydrophobicContact CG-CG 4.46Å; A660-Y664 WeakPolarHBondContact O-CB 3.11Å; A660-Y664 PolarHBondContact O-N 2.82Å; Y661-Y664 WeakPolarHBondContact O-CB 3.48Å; Y661-Y664 PolarHBondContact O-N 3.46Å; Y664-N666 VanDerWaalsContact C-N 3.31Å; Y664-N666 PolarHBondContact O-N 3.23Å; Y664-W667 WeakPolarHBondContact O-CB 3.31Å; Y664-W667 PolarHBondContact O-N 3.23Å; Y664-I668 HydrophobicContact CD1-CD1 4.04Å; Y664-I668 HydrophobicContact CD2-CD1 4.38Å; Y664-I668 HydrophobicContact CD2-CG1 4.44Å; Y664-I668 HydrophobicContact CE1-CD1 3.5Å; Y664-I668 HydrophobicContact CE1-CG1 4.45Å; Y664-I668 HydrophobicContact CE2-CD1 3.89Å; Y664-I668 HydrophobicContact CE2-CG1 3.95Å; Y664-I668 HydrophobicContact CG-CD1 4.44Å; Y664-I668 VanDerWaalsContact CZ-CD1 3.4Å; Y664-I668 WeakPolarHBondContact O-CG1 3.25Å; Y664-I668 PolarHBondContact O-N 3.47Å; Y664-N684 WeakPolarHBondContact OH-CB 3.4Å; Y664-H685 AromaticContact CE1-ND1 3.97Å; Y664-F688 HydrophobicContact CD1-CB 4.48Å; Y664-F688 HydrophobicContact CD1-CD2 4.23Å; Y664-F688 HydrophobicContact CG-CD2 4.41Å
665	V	98.3	Very high	97	Very high	38 Å²	38	39 Å²	39	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-38.7	175.5	170.6	0	0	0	0	111.5	Y661 K662 A663 W667 I668 K669	Y661-V665 HydrophobicContact CD1-CG2 4.22Å; Y661-V665 HydrophobicContact CE1-CG2 3.68Å; Y661-V665 WeakPolarHBondContact O-CG2 3.46Å; Y661-V665 PolarHBondContact O-N 3.3Å; K662-V665 PolarHBondContact O-N 3.24Å; A663-V665 PolarHBondContact O-N 2.89Å; V665-W667 VanDerWaalsContact C-N 3.35Å; V665-I668 PolarHBondContact O-N 3.27Å; V665-K669 WeakPolarHBondContact O-CG 3.42Å; V665-K669 PolarHBondContact O-N 2.78Å
666	N	97.8	Very high	96.8	Very high	51 Å²	51	40.9 Å²	40.9	27%	0.273	21%	0.206	S	C	.	.	H	α-helix	trans	-66.3	-38.5	174.6	-73.7	-12.4	0	0	0	111.8	K662 A663 Y664 K669 K670	K662-N666 PolarHBondContact O-N 3Å; A663-N666 WeakPolarHBondContact O-CB 3.45Å; A663-N666 PolarHBondContact O-N 2.85Å; Y664-N666 VanDerWaalsContact C-N 3.31Å; Y664-N666 PolarHBondContact O-N 3.23Å; N666-K669 PolarHBondContact O-N 3.2Å; N666-K670 PolarHBondContact O-N 3.33Å; N666-K670 VanDerWaalsContact O-N 3.1Å
667	W	97.4	Very high	96.7	Very high	38 Å²	38	41.2 Å²	41.2	14%	0.144	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-44.5	173.6	-174	95.7	0	0	0	111.2	K576 F580 A663 Y664 V665 K669 K670 N671 E674	K576-W667 HydrophobicContact CB-CD2 4.32Å; K576-W667 HydrophobicContact CB-CE3 4.29Å; K576-W667 HydrophobicContact CB-CH2 4.44Å; K576-W667 HydrophobicContact CB-CZ2 4.46Å; K576-W667 HydrophobicContact CB-CZ3 4.37Å; K576-W667 HydrophobicContact CD-CZ2 4.47Å; K576-W667 HydrophobicContact CG-CD2 4.16Å; K576-W667 HydrophobicContact CG-CE3 4.4Å; K576-W667 HydrophobicContact CG-CH2 3.88Å; K576-W667 HydrophobicContact CG-CZ2 3.58Å; K576-W667 HydrophobicContact CG-CZ3 4.28Å; F580-W667 HydrophobicContact CE2-CB 3.94Å; F580-W667 AromaticContact CE2-CG 3.98Å; F580-W667 HydrophobicContact CE2-CG 3.98Å; F580-W667 HydrophobicContact CZ-CB 4.16Å; F580-W667 HydrophobicContact CZ-CG 4.42Å; A663-W667 WeakPolarHBondContact O-CB 3.37Å; A663-W667 PolarHBondContact O-N 2.9Å; Y664-W667 WeakPolarHBondContact O-CB 3.31Å; Y664-W667 PolarHBondContact O-N 3.23Å; V665-W667 VanDerWaalsContact C-N 3.35Å; W667-K669 PolarHBondContact O-N 3.2Å; W667-K670 PolarHBondContact O-N 2.94Å; W667-N671 HydrophobicContact CD2-CB 4.26Å; W667-N671 VanDerWaalsContact CE2-ND2 3.3Å; W667-N671 HydrophobicContact CE3-CB 4.32Å; W667-N671 HydrophobicContact CH2-CB 3.89Å; W667-N671 HydrophobicContact CZ2-CB 3.82Å; W667-N671 HydrophobicContact CZ3-CB 4.12Å; W667-N671 PolarHBondContact NE1-ND2 3.04Å; W667-N671 WeakPolarHBondContact O-CB 3.47Å; W667-N671 PolarHBondContact O-N 3.48Å; W667-N671 PolarHBondContact O-ND2 3.11Å; W667-E674 HydrophobicContact CH2-CG 3.62Å; W667-E674 HydrophobicContact CZ3-CG 3.48Å; W667-E674 VanDerWaalsContact CZ3-CG 3.48Å
668	I	96.8	Very high	96.4	Very high	20 Å²	20	42 Å²	42	10%	0.103	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-44.5	174.4	-67.6	161.9	0	0	0	111	Y664 V665 K670 N671 G672 E673	Y664-I668 HydrophobicContact CD1-CD1 4.04Å; Y664-I668 HydrophobicContact CD2-CD1 4.38Å; Y664-I668 HydrophobicContact CD2-CG1 4.44Å; Y664-I668 HydrophobicContact CE1-CD1 3.5Å; Y664-I668 HydrophobicContact CE1-CG1 4.45Å; Y664-I668 HydrophobicContact CE2-CD1 3.89Å; Y664-I668 HydrophobicContact CE2-CG1 3.95Å; Y664-I668 HydrophobicContact CG-CD1 4.44Å; Y664-I668 VanDerWaalsContact CZ-CD1 3.4Å; Y664-I668 WeakPolarHBondContact O-CG1 3.25Å; Y664-I668 PolarHBondContact O-N 3.47Å; V665-I668 PolarHBondContact O-N 3.27Å; I668-K670 PolarHBondContact O-N 2.85Å; I668-N671 PolarHBondContact O-N 3.18Å; I668-G672 VanDerWaalsContact O-CA 3.3Å; I668-G672 WeakPolarHBondContact O-CA 3.38Å; I668-G672 PolarHBondContact O-N 3.31Å; I668-E673 HydrophobicContact CG2-CG 4.18Å
669	K	95.9	Very high	96	Very high	156 Å²	156	43.2 Å²	43.2	68%	0.678	23%	0.234	S	C	*	.	H	α-helix	trans	-59.1	-33.7	178.2	-72.6	171.1	-173.2	165.2	0	112.7	V665 N666 W667	V665-K669 WeakPolarHBondContact O-CG 3.42Å; V665-K669 PolarHBondContact O-N 2.78Å; N666-K669 PolarHBondContact O-N 3.2Å; W667-K669 PolarHBondContact O-N 3.2Å
670	K	95.6	Very high	95.8	Very high	139 Å²	139	43.1 Å²	43.1	60%	0.604	23%	0.233	S	C	*	.	H	α-helix	trans	-81.5	-38.7	180	179.9	-177.7	170.8	-168.1	0	112.4	N666 W667 I668	N666-K670 PolarHBondContact O-N 3.33Å; N666-K670 VanDerWaalsContact O-N 3.1Å; W667-K670 PolarHBondContact O-N 2.94Å; I668-K670 PolarHBondContact O-N 2.85Å
671	N	94.8	Very high	95.4	Very high	84 Å²	84	47 Å²	47	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-113.8	-11.1	-166.1	-58	-74.9	0	0	0	114.6	W667 I668	W667-N671 HydrophobicContact CD2-CB 4.26Å; W667-N671 VanDerWaalsContact CE2-ND2 3.3Å; W667-N671 HydrophobicContact CE3-CB 4.32Å; W667-N671 HydrophobicContact CH2-CB 3.89Å; W667-N671 HydrophobicContact CZ2-CB 3.82Å; W667-N671 HydrophobicContact CZ3-CB 4.12Å; W667-N671 PolarHBondContact NE1-ND2 3.04Å; W667-N671 WeakPolarHBondContact O-CB 3.47Å; W667-N671 PolarHBondContact O-N 3.48Å; W667-N671 PolarHBondContact O-ND2 3.11Å; I668-N671 PolarHBondContact O-N 3.18Å
672	G	93.4	Very high	95.2	Very high	25 Å²	25	47.1 Å²	47.1	26%	0.258	27%	0.274	S	S	.	.			trans	87.5	174.7	-169.9	0	0	0	0	0	112.9	I668	I668-G672 VanDerWaalsContact O-CA 3.3Å; I668-G672 WeakPolarHBondContact O-CA 3.38Å; I668-G672 PolarHBondContact O-N 3.31Å
673	E	93.2	Very high	95.1	Very high	60 Å²	60	47.7 Å²	47.7	28%	0.28	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-69.9	148.4	174.2	-75.5	-72.1	176.6	0	0	111.2	P78 I668 H685	P78-E673 HydrophobicContact CG-CB 4.08Å; P78-E673 WeakPolarHBondContact CG-O 3.24Å; I668-E673 HydrophobicContact CG2-CG 4.18Å; E673-H685 IonicContact OE1-NE2 3.78Å
674	E	93.8	Very high	95	Very high	33 Å²	33	47.9 Å²	47.9	15%	0.154	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-87.1	152.2	172.8	-60	-178	99.1	0	0	111.6	P78 K576 A577 W667 T676 N684	P78-E674 WeakPolarHBondContact CG-O 3.4Å; K576-E674 WeakPolarHBondContact CA-OE2 3.28Å; K576-E674 VanDerWaalsContact CB-OE2 3.3Å; K576-E674 WeakPolarHBondContact CB-OE2 3.42Å; K576-E674 WeakPolarHBondContact CG-OE1 3.49Å; K576-E674 PolarHBondContact N-OE1 3.24Å; K576-E674 PolarHBondContact N-OE2 2.98Å; A577-E674 PolarHBondContact N-OE2 3.31Å; W667-E674 HydrophobicContact CH2-CG 3.62Å; W667-E674 HydrophobicContact CZ3-CG 3.48Å; W667-E674 VanDerWaalsContact CZ3-CG 3.48Å; E674-T676 PolarHBondContact O-N 2.78Å; E674-N684 PolarHBondContact O-ND2 2.86Å
675	A	94	Very high	95	Very high	30 Å²	30	49.4 Å²	49.4	25%	0.248	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-56.2	134.3	168.9	0	0	0	0	0	110.6	P78 C81	P78-A675 HydrophobicContact CB-CB 4.38Å; C81-A675 HydrophobicContact CB-CB 3.94Å
676	T	95.1	Very high	95	Very high	45 Å²	45	49.4 Å²	49.4	28%	0.276	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-74.8	150	-178.4	54.4	0	0	0	0	111.3	G79 L80 C81 E674	G79-T676 PolarHBondContact O-N 2.98Å; G79-T676 PolarHBondContact O-OG1 3.44Å; G79-T676 VanDerWaalsContact O-OG1 3.06Å; L80-T676 CarbonylContact C-O 3.54Å; L80-T676 WeakPolarHBondContact CA-O 3.3Å; C81-T676 PolarHBondContact N-O 3.31Å; E674-T676 PolarHBondContact O-N 2.78Å
677	L	95.6	Very high	95.1	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.037	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-69.9	138.4	174.7	-71.3	-174.7	0	0	0	111.2	C86 V89 A90 P575 L578 L680 L687	C86-L677 HydrophobicContact CB-CD2 3.7Å; V89-L677 HydrophobicContact CG1-CD1 3.82Å; V89-L677 HydrophobicContact CG1-CD2 3.98Å; A90-L677 HydrophobicContact CB-CB 4.15Å; A90-L677 HydrophobicContact CB-CD1 4.34Å; P575-L677 HydrophobicContact CG-CD1 4.3Å; P575-L677 HydrophobicContact CG-CD2 3.68Å; P575-L677 HydrophobicContact CG-CG 3.97Å; L578-L677 HydrophobicContact CD1-CD1 4.28Å; L677-L680 HydrophobicContact CB-CD1 3.76Å; L677-L680 HydrophobicContact CB-CG 4.29Å; L677-L680 HydrophobicContact CD1-CD1 3.83Å; L677-L680 HydrophobicContact CG-CD1 4.44Å; L677-L687 HydrophobicContact CD1-CD1 4.12Å; L677-L687 HydrophobicContact CD1-CD2 3.56Å; L677-L687 HydrophobicContact CD1-CG 4.5Å; L677-L687 HydrophobicContact CG-CD2 3.89Å
678	P	93.4	Very high	95.1	Very high	21 Å²	21	45.3 Å²	45.3	14%	0.136	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	157.5	-179.6	29.7	-34.9	0	0	0	111.4	C81 L82 I87 A90 L680	C81-P678 VanDerWaalsContact O-CD 3.26Å; C81-P678 WeakPolarHBondContact O-CD 2.96Å; L82-P678 HydrophobicContact CD2-CB 4.23Å; L82-P678 HydrophobicContact CD2-CG 4.36Å; I87-P678 HydrophobicContact CG1-CG 4.49Å; A90-P678 HydrophobicContact CB-CG 4.29Å; P678-L680 PolarHBondContact O-N 3.26Å
679	A	90	Very high	95.2	Very high	84 Å²	84	44.4 Å²	44.4	69%	0.694	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	-6.4	174.1	0	0	0	0	0	117.6	M94	M94-A679 HydrophobicContact SD-CB 4.49Å
680	L	93.4	Very high	95.4	Very high	3 Å²	3	37 Å²	37	2%	0.016	23%	0.231	C	C	.	.	S	Bend	trans	-80.6	-32.8	178.5	-64.8	-173.9	0	0	0	113.2	A90 V93 M94 R99 L677 P678 M682 L687	A90-L680 HydrophobicContact CB-CG 4.49Å; V93-L680 HydrophobicContact CB-CD1 4.29Å; V93-L680 HydrophobicContact CB-CD2 4.32Å; V93-L680 HydrophobicContact CG1-CD1 3.88Å; V93-L680 HydrophobicContact CG1-CD2 4Å; M94-L680 HydrophobicContact CB-CD2 3.84Å; R99-L680 PolarHBondContact NH1-O 3.12Å; R99-L680 VanDerWaalsContact NH1-O 3.16Å; R99-L680 PolarHBondContact NH2-O 2.93Å; L677-L680 HydrophobicContact CB-CD1 3.76Å; L677-L680 HydrophobicContact CB-CG 4.29Å; L677-L680 HydrophobicContact CD1-CD1 3.83Å; L677-L680 HydrophobicContact CG-CD1 4.44Å; P678-L680 PolarHBondContact O-N 3.26Å; L680-M682 HydrophobicContact CB-CB 4.37Å; L680-M682 HydrophobicContact CB-CG 4.44Å; L680-M682 PolarHBondContact O-N 2.78Å; L680-L687 HydrophobicContact CD1-CD1 3.86Å
681	G	91.4	Very high	95.5	Very high	81 Å²	81	30.7 Å²	30.7	84%	0.835	21%	0.206	S	C	*	.			trans	61.8	33.6	-174	0	0	0	0	0	112.7
682	M	93.5	Very high	95.7	Very high	22 Å²	22	26.8 Å²	26.8	11%	0.108	19%	0.185	C	C	.	.			trans	-126.3	148.1	-178.3	-67.1	-179.3	-173.9	0	0	110.2	L97 F110 L680 Q686 V690	L97-M682 HydrophobicContact CD1-CE 3.51Å; L97-M682 HydrophobicContact CD1-SD 4.49Å; L97-M682 HydrophobicContact CD2-CE 4.22Å; F110-M682 HydrophobicContact CE1-CE 3.97Å; F110-M682 HydrophobicContact CZ-CE 3.5Å; F110-M682 VanDerWaalsContact CZ-CE 3.5Å; L680-M682 HydrophobicContact CB-CB 4.37Å; L680-M682 HydrophobicContact CB-CG 4.44Å; L680-M682 PolarHBondContact O-N 2.78Å; M682-Q686 HydrophobicContact CB-CB 4.12Å; M682-V690 HydrophobicContact SD-CG2 3.98Å
683	T	96.5	Very high	95.9	Very high	64 Å²	64	25.6 Å²	25.6	39%	0.393	17%	0.173	S	C	.	.			trans	-75	161.7	168.7	66.2	0	0	0	0	110.5	H685 Q686 L687	T683-H685 PolarHBondContact O-N 3.02Å; T683-Q686 WeakPolarHBondContact O-CB 3.42Å; T683-Q686 PolarHBondContact O-N 2.97Å; T683-Q686 VanDerWaalsContact O-N 3.08Å; T683-Q686 PolarHBondContact OG1-N 3.06Å; T683-L687 PolarHBondContact O-N 3.05Å
684	N	97.7	Very high	96.2	Very high	4 Å²	4	24 Å²	24	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-64.3	-28.8	176.3	-61.2	-33.8	0	0	0	112.5	A577 Y664 E674 L687 F688	A577-N684 HydrophobicContact CB-CB 4.02Å; A577-N684 WeakPolarHBondContact CB-O 3.09Å; Y664-N684 WeakPolarHBondContact OH-CB 3.4Å; E674-N684 PolarHBondContact O-ND2 2.86Å; N684-L687 WeakPolarHBondContact O-CB 3.48Å; N684-L687 PolarHBondContact O-N 3.15Å; N684-F688 PolarHBondContact O-N 2.9Å
685	H	98.2	Very high	96.3	Very high	32 Å²	32	22.8 Å²	22.8	15%	0.148	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-39.8	171.2	-67.1	-71.7	0	0	0	112.9	Y661 Y664 E673 T683 F689 H734	Y661-H685 AromaticContact CE2-ND1 3.92Å; Y661-H685 AromaticContact CZ-ND1 3.83Å; Y661-H685 PolarHBondContact OH-ND1 3.29Å; Y661-H685 VanDerWaalsContact OH-ND1 3.08Å; Y664-H685 AromaticContact CE1-ND1 3.97Å; E673-H685 IonicContact OE1-NE2 3.78Å; T683-H685 PolarHBondContact O-N 3.02Å; H685-F689 WeakPolarHBondContact O-CD2 3.28Å; H685-H734 VanDerWaalsContact CB-CE1 3.5Å; H685-H734 WeakPolarHBondContact CB-CE1 3.25Å; H685-H734 WeakPolarHBondContact CB-ND1 3.45Å; H685-H734 AromaticContact CD2-CE1 3.6Å; H685-H734 AromaticContact CG-CE1 3.43Å; H685-H734 VanDerWaalsContact CG-CE1 3.43Å; H685-H734 AromaticContact CG-ND1 3.88Å; H685-H734 AromaticContact CG-NE2 3.82Å; H685-H734 AromaticContact ND1-CE1 3.95Å; H685-H734 AromaticContact ND1-NE2 3.96Å
686	Q	98.5	Very high	96.5	Very high	39 Å²	39	22.5 Å²	22.5	18%	0.182	15%	0.153	C	C	.	.	H	α-helix	trans	-68.8	-39.6	173.3	-70.9	169.8	-36.6	0	0	110.8	M682 T683 F688 F689 V690 H734 F735	M682-Q686 HydrophobicContact CB-CB 4.12Å; T683-Q686 WeakPolarHBondContact O-CB 3.42Å; T683-Q686 PolarHBondContact O-N 2.97Å; T683-Q686 VanDerWaalsContact O-N 3.08Å; T683-Q686 PolarHBondContact OG1-N 3.06Å; Q686-F688 VanDerWaalsContact C-N 3.28Å; Q686-F688 PolarHBondContact O-N 3.02Å; Q686-F689 PolarHBondContact O-N 3.19Å; Q686-V690 WeakPolarHBondContact O-CG2 3.34Å; Q686-V690 PolarHBondContact O-N 3.39Å; Q686-H734 HydrophobicContact CG-CB 4.3Å; Q686-H734 PolarHBondContact NE2-O 3.35Å; Q686-F735 HydrophobicContact CB-CE1 4.32Å; Q686-F735 HydrophobicContact CB-CE2 4.1Å; Q686-F735 HydrophobicContact CB-CZ 3.73Å; Q686-F735 HydrophobicContact CG-CD2 4.38Å; Q686-F735 HydrophobicContact CG-CE1 4.2Å; Q686-F735 HydrophobicContact CG-CE2 3.97Å; Q686-F735 HydrophobicContact CG-CZ 3.88Å
687	L	98.4	Very high	96.7	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-36.3	177.4	-174.7	62.6	0	0	0	112.3	V93 P575 A577 L578 L677 L680 T683 N684 F689 V690 G691	V93-L687 HydrophobicContact CG1-CD1 4.28Å; V93-L687 HydrophobicContact CG2-CD1 4.5Å; P575-L687 HydrophobicContact CB-CD2 4.49Å; A577-L687 HydrophobicContact CB-CB 4.41Å; A577-L687 HydrophobicContact CB-CD2 4.28Å; A577-L687 HydrophobicContact CB-CG 4.44Å; L578-L687 HydrophobicContact CD1-CD2 4.45Å; L578-L687 HydrophobicContact CD2-CD1 3.73Å; L578-L687 HydrophobicContact CD2-CD2 4.38Å; L578-L687 HydrophobicContact CD2-CG 3.74Å; L578-L687 HydrophobicContact CG-CD1 4.23Å; L578-L687 HydrophobicContact CG-CD2 4.03Å; L578-L687 HydrophobicContact CG-CG 3.93Å; L677-L687 HydrophobicContact CD1-CD1 4.12Å; L677-L687 HydrophobicContact CD1-CD2 3.56Å; L677-L687 HydrophobicContact CD1-CG 4.5Å; L677-L687 HydrophobicContact CG-CD2 3.89Å; L680-L687 HydrophobicContact CD1-CD1 3.86Å; T683-L687 PolarHBondContact O-N 3.05Å; N684-L687 WeakPolarHBondContact O-CB 3.48Å; N684-L687 PolarHBondContact O-N 3.15Å; L687-F689 PolarHBondContact O-N 3.22Å; L687-V690 PolarHBondContact O-N 3.18Å; L687-G691 PolarHBondContact O-N 3.4Å
688	F	98.8	Very high	96.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-54.8	-51.6	172.7	170.4	-83	0	0	0	111.7	A577 F580 V585 L657 A660 Y661 Y664 N684 Q686 V690 G691 F692	A577-F688 WeakPolarHBondContact O-CA 3.42Å; F580-F688 VanDerWaalsContact C-CE2 3.43Å; F580-F688 HydrophobicContact CB-CD2 3.96Å; F580-F688 HydrophobicContact CB-CE2 3.81Å; F580-F688 WeakPolarHBondContact O-CE2 3.21Å; V585-F688 HydrophobicContact CG2-CZ 4.16Å; L657-F688 HydrophobicContact CD1-CE1 3.57Å; L657-F688 HydrophobicContact CD1-CZ 3.92Å; L657-F688 HydrophobicContact CG-CE1 4.38Å; A660-F688 HydrophobicContact CB-CE2 4.25Å; A660-F688 HydrophobicContact CB-CZ 4.13Å; Y661-F688 AromaticContact CD2-CD1 3.52Å; Y661-F688 HydrophobicContact CD2-CD1 3.52Å; Y661-F688 HydrophobicContact CD2-CD2 4.32Å; Y661-F688 AromaticContact CD2-CE1 3.6Å; Y661-F688 HydrophobicContact CD2-CE1 3.6Å; Y661-F688 HydrophobicContact CD2-CE2 4.37Å; Y661-F688 AromaticContact CD2-CG 3.93Å; Y661-F688 HydrophobicContact CD2-CG 3.93Å; Y661-F688 HydrophobicContact CD2-CZ 4.05Å; Y661-F688 HydrophobicContact CE2-CD1 4.26Å; Y661-F688 HydrophobicContact CG-CD1 4.46Å; Y661-F688 HydrophobicContact CG-CE1 4.11Å; Y661-F688 HydrophobicContact CG-CZ 4.34Å; Y664-F688 HydrophobicContact CD1-CB 4.48Å; Y664-F688 HydrophobicContact CD1-CD2 4.23Å; Y664-F688 HydrophobicContact CG-CD2 4.41Å; N684-F688 PolarHBondContact O-N 2.9Å; Q686-F688 VanDerWaalsContact C-N 3.28Å; Q686-F688 PolarHBondContact O-N 3.02Å; F688-V690 PolarHBondContact O-N 3.36Å; F688-G691 PolarHBondContact O-N 3.28Å; F688-F692 PolarHBondContact O-N 2.88Å
689	F	98.9	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69.4	-34.8	-178.7	-66.7	-73	0	0	0	112	F107 L657 Y661 H685 Q686 L687 F692 A693 I725 E730 F731 F735	F107-F689 HydrophobicContact CE1-CB 4.01Å; F107-F689 WeakPolarHBondContact CE1-O 3.38Å; F107-F689 HydrophobicContact CZ-CB 3.81Å; L657-F689 HydrophobicContact CD2-CD1 4.45Å; L657-F689 HydrophobicContact CD2-CE1 4.24Å; Y661-F689 HydrophobicContact CD2-CE2 4.1Å; Y661-F689 AromaticContact CD2-CZ 3.82Å; Y661-F689 HydrophobicContact CD2-CZ 3.82Å; Y661-F689 AromaticContact CE2-CE2 3.76Å; Y661-F689 HydrophobicContact CE2-CE2 3.76Å; Y661-F689 AromaticContact CE2-CZ 3.87Å; Y661-F689 HydrophobicContact CE2-CZ 3.87Å; Y661-F689 HydrophobicContact CG-CZ 4.28Å; H685-F689 WeakPolarHBondContact O-CD2 3.28Å; Q686-F689 PolarHBondContact O-N 3.19Å; L687-F689 PolarHBondContact O-N 3.22Å; F689-F692 PolarHBondContact O-N 3.37Å; F689-A693 WeakPolarHBondContact O-CB 3.4Å; F689-A693 PolarHBondContact O-N 3.43Å; F689-I725 HydrophobicContact CD1-CG2 4.37Å; F689-E730 HydrophobicContact CZ-CB 4.05Å; F689-F731 HydrophobicContact CB-CD2 4.03Å; F689-F731 HydrophobicContact CB-CE2 4.48Å; F689-F731 HydrophobicContact CD1-CB 4.09Å; F689-F731 AromaticContact CD1-CD2 3.96Å; F689-F731 HydrophobicContact CD1-CD2 3.96Å; F689-F731 HydrophobicContact CD1-CG 4.49Å; F689-F731 HydrophobicContact CD2-CD2 4.16Å; F689-F731 HydrophobicContact CE1-CB 3.78Å; F689-F731 HydrophobicContact CE1-CD2 4.5Å; F689-F731 HydrophobicContact CE2-CB 4.3Å; F689-F731 HydrophobicContact CG-CB 4.48Å; F689-F731 AromaticContact CG-CD2 3.79Å; F689-F731 HydrophobicContact CG-CD2 3.79Å; F689-F731 HydrophobicContact CZ-CB 3.91Å; F689-F735 HydrophobicContact CB-CE2 4Å; F689-F735 HydrophobicContact CD2-CE2 4.07Å; F689-F735 HydrophobicContact CG-CE2 4.36Å
690	V	98.7	Very high	97.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.4	-44.2	173.1	171.5	0	0	0	0	110.7	V93 L97 F107 F110 M682 Q686 L687 F688 F692 A693 Q694 F735	V93-V690 HydrophobicContact CG1-CG1 3.8Å; L97-V690 HydrophobicContact CD2-CG1 3.99Å; L97-V690 HydrophobicContact CD2-CG2 4.45Å; F107-V690 HydrophobicContact CE2-CG2 4.45Å; F107-V690 HydrophobicContact CZ-CG2 4.06Å; F110-V690 HydrophobicContact CE1-CG2 4.21Å; M682-V690 HydrophobicContact SD-CG2 3.98Å; Q686-V690 WeakPolarHBondContact O-CG2 3.34Å; Q686-V690 PolarHBondContact O-N 3.39Å; L687-V690 PolarHBondContact O-N 3.18Å; F688-V690 PolarHBondContact O-N 3.36Å; V690-F692 PolarHBondContact O-N 3.22Å; V690-A693 PolarHBondContact O-N 2.77Å; V690-Q694 HydrophobicContact CG1-CG 4.16Å; V690-Q694 WeakPolarHBondContact O-CB 3.29Å; V690-Q694 VanDerWaalsContact O-CG 3.28Å; V690-Q694 WeakPolarHBondContact O-CG 3.36Å; V690-Q694 PolarHBondContact O-N 3.44Å; V690-F735 HydrophobicContact CG2-CZ 4.36Å
691	G	98	Very high	97.2	Very high	7 Å²	7	20 Å²	20	7%	0.072	12%	0.124	C	C	.	.	H	α-helix	trans	-58.3	-46.6	175.4	0	0	0	0	0	112.1	L687 F688 Q694 V695	L687-G691 PolarHBondContact O-N 3.4Å; F688-G691 PolarHBondContact O-N 3.28Å; G691-Q694 PolarHBondContact O-N 3.16Å; G691-V695 PolarHBondContact O-N 2.74Å
692	F	98.7	Very high	97.3	Very high	2 Å²	2	20 Å²	20	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-54.9	-52.8	172.5	162.9	-106.6	0	0	0	112.3	G581 V585 L657 F688 F689 V690 Q694 V695 W696 V721 T724 I725	G581-F692 WeakPolarHBondContact O-CA 3.4Å; G581-F692 WeakPolarHBondContact O-CB 3.5Å; G581-F692 PolarHBondContact O-N 2.9Å; V585-F692 HydrophobicContact CB-CD2 4.24Å; V585-F692 HydrophobicContact CG1-CD2 3.79Å; V585-F692 HydrophobicContact CG1-CE2 3.88Å; V585-F692 HydrophobicContact CG2-CD2 4.02Å; L657-F692 HydrophobicContact CD1-CB 4.01Å; L657-F692 HydrophobicContact CD1-CD1 3.94Å; L657-F692 HydrophobicContact CD1-CD2 3.77Å; L657-F692 HydrophobicContact CD1-CE1 4.37Å; L657-F692 HydrophobicContact CD1-CE2 4.19Å; L657-F692 HydrophobicContact CD1-CG 3.6Å; L657-F692 HydrophobicContact CD1-CZ 4.48Å; L657-F692 HydrophobicContact CD2-CD1 4.49Å; L657-F692 HydrophobicContact CD2-CE1 4.33Å; F688-F692 PolarHBondContact O-N 2.88Å; F689-F692 PolarHBondContact O-N 3.37Å; V690-F692 PolarHBondContact O-N 3.22Å; F692-Q694 VanDerWaalsContact C-N 3.28Å; F692-Q694 PolarHBondContact O-N 2.87Å; F692-V695 PolarHBondContact O-N 3.28Å; F692-W696 AromaticContact CD2-NE1 3.97Å; F692-W696 AromaticContact CE2-CD1 3.84Å; F692-W696 AromaticContact CE2-NE1 3.45Å; F692-V721 HydrophobicContact CE1-CB 4.4Å; F692-V721 HydrophobicContact CE1-CG1 4.31Å; F692-V721 HydrophobicContact CE1-CG2 4.34Å; F692-T724 HydrophobicContact CZ-CG2 4.04Å; F692-I725 HydrophobicContact CD1-CG2 4.03Å; F692-I725 HydrophobicContact CE1-CG2 3.78Å
693	A	98.8	Very high	97.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.6	-35.4	-178.3	0	0	0	0	0	112.2	F107 A111 C112 F689 V690 V695 W696 C697 V721	F107-A693 HydrophobicContact CD1-CB 4.06Å; F107-A693 HydrophobicContact CE1-CB 3.69Å; A111-A693 HydrophobicContact CB-CB 3.44Å; A111-A693 VanDerWaalsContact CB-CB 3.44Å; C112-A693 PolarHBondContact SG-O 3.3Å; C112-A693 VanDerWaalsContact SG-O 3.4Å; F689-A693 WeakPolarHBondContact O-CB 3.4Å; F689-A693 PolarHBondContact O-N 3.43Å; V690-A693 PolarHBondContact O-N 2.77Å; A693-V695 PolarHBondContact O-N 2.62Å; A693-W696 WeakPolarHBondContact O-CB 3.47Å; A693-W696 PolarHBondContact O-N 2.86Å; A693-C697 PolarHBondContact O-N 2.97Å; A693-V721 HydrophobicContact CB-CG1 3.72Å; A693-V721 HydrophobicContact CB-CG2 4.11Å
694	Q	98.4	Very high	97.3	Very high	28 Å²	28	19 Å²	19	13%	0.131	10%	0.102	C	C	.	.	H	α-helix	trans	-71.8	-26.3	-176	-76.1	-176.2	-3.6	0	0	114.2	V93 A96 A111 P130 V690 G691 F692 W696 C697	V93-Q694 PolarHBondContact O-NE2 3.42Å; A96-Q694 HydrophobicContact CB-CG 4.34Å; A96-Q694 VanDerWaalsContact CB-NE2 3.32Å; A111-Q694 HydrophobicContact CB-CG 4.47Å; A111-Q694 WeakPolarHBondContact O-CG 3.06Å; A111-Q694 PolarHBondContact O-NE2 3.37Å; P130-Q694 WeakPolarHBondContact CG-O 3.41Å; V690-Q694 HydrophobicContact CG1-CG 4.16Å; V690-Q694 WeakPolarHBondContact O-CB 3.29Å; V690-Q694 VanDerWaalsContact O-CG 3.28Å; V690-Q694 WeakPolarHBondContact O-CG 3.36Å; V690-Q694 PolarHBondContact O-N 3.44Å; G691-Q694 PolarHBondContact O-N 3.16Å; F692-Q694 VanDerWaalsContact C-N 3.28Å; F692-Q694 PolarHBondContact O-N 2.87Å; Q694-W696 PolarHBondContact O-N 2.9Å; Q694-C697 VanDerWaalsContact CA-SG 3.5Å; Q694-C697 PolarHBondContact O-N 3.36Å; Q694-C697 PolarHBondContact O-SG 2.9Å; Q694-C697 VanDerWaalsContact O-SG 3.41Å
695	V	97.1	Very high	97.2	Very high	7 Å²	7	19 Å²	19	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-59.5	-28.3	168.3	166.1	0	0	0	0	111.9	P130 F131 F569 G691 F692 A693	P130-V695 WeakPolarHBondContact CG-O 3.28Å; F131-V695 HydrophobicContact CE2-CG1 3.89Å; F131-V695 HydrophobicContact CZ-CG1 4.21Å; F569-V695 HydrophobicContact CD1-CG1 3.78Å; F569-V695 HydrophobicContact CD1-CG2 4.11Å; F569-V695 HydrophobicContact CE1-CB 4.4Å; F569-V695 HydrophobicContact CE1-CG1 3.25Å; F569-V695 HydrophobicContact CE1-CG2 4.32Å; F569-V695 HydrophobicContact CZ-CG1 4.04Å; G691-V695 PolarHBondContact O-N 2.74Å; F692-V695 PolarHBondContact O-N 3.28Å; A693-V695 PolarHBondContact O-N 2.62Å
696	W	98.3	Very high	97	Very high	23 Å²	23	18.6 Å²	18.6	9%	0.087	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	5.6	-178.4	-62.7	114.9	0	0	0	114	Y108 F131 F692 A693 Q694 A698 S717 R720 V721	Y108-W696 WeakPolarHBondContact CE2-O 3.38Å; Y108-W696 PolarHBondContact OH-O 2.53Å; F131-W696 AromaticContact CE2-CE3 3.94Å; F131-W696 HydrophobicContact CE2-CE3 3.94Å; F131-W696 HydrophobicContact CE2-CH2 4.05Å; F131-W696 AromaticContact CE2-CZ3 3.59Å; F131-W696 HydrophobicContact CE2-CZ3 3.59Å; F131-W696 AromaticContact CZ-CH2 3.93Å; F131-W696 HydrophobicContact CZ-CH2 3.93Å; F131-W696 AromaticContact CZ-CZ3 3.92Å; F131-W696 HydrophobicContact CZ-CZ3 3.92Å; F692-W696 AromaticContact CD2-NE1 3.97Å; F692-W696 AromaticContact CE2-CD1 3.84Å; F692-W696 AromaticContact CE2-NE1 3.45Å; A693-W696 WeakPolarHBondContact O-CB 3.47Å; A693-W696 PolarHBondContact O-N 2.86Å; Q694-W696 PolarHBondContact O-N 2.9Å; W696-A698 PolarHBondContact O-N 3.48Å; W696-S717 WeakPolarHBondContact O-CB 3.36Å; W696-R720 HydrophobicContact CD2-CB 4.42Å; W696-V721 HydrophobicContact CB-CG2 3.56Å; W696-V721 HydrophobicContact CG-CG2 3.98Å
697	C	98.4	Very high	96.8	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.007	10%	0.099	C	C	.	.			trans	-59.1	126.9	173	-63	0	0	0	0	109.9	C112 W115 G129 P130 A693 Q694	C112-C697 WeakPolarHBondContact CA-SG 3.44Å; C112-C697 HydrophobicContact CB-CB 3.78Å; C112-C697 WeakPolarHBondContact CB-SG 3.34Å; C112-C697 WeakPolarHBondContact SG-CA 3.3Å; C112-C697 WeakPolarHBondContact SG-CB 3.33Å; C112-C697 CovalentContact SG-SG 2.04Å; C112-C697 PolarHBondContact SG-SG 3.36Å; W115-C697 HydrophobicContact CB-CB 4.22Å; W115-C697 HydrophobicContact CD2-CB 3.67Å; W115-C697 HydrophobicContact CE3-CB 3.66Å; W115-C697 HydrophobicContact CG-CB 3.91Å; W115-C697 HydrophobicContact CZ3-CB 4.36Å; G129-C697 VanDerWaalsContact CA-O 3.28Å; G129-C697 WeakPolarHBondContact CA-O 3.46Å; P130-C697 WeakPolarHBondContact CD-O 3.31Å; A693-C697 PolarHBondContact O-N 2.97Å; Q694-C697 VanDerWaalsContact CA-SG 3.5Å; Q694-C697 PolarHBondContact O-N 3.36Å; Q694-C697 PolarHBondContact O-SG 2.9Å; Q694-C697 VanDerWaalsContact O-SG 3.41Å
698	A	97.1	Very high	96.6	Very high	18 Å²	18	18.3 Å²	18.3	15%	0.149	10%	0.1	C	C	.	.			trans	-156.7	150.6	-176.9	0	0	0	0	0	112.3	Y108 W128 W696	Y108-A698 PolarHBondContact OH-N 2.84Å; Y108-A698 PolarHBondContact OH-O 3.38Å; W128-A698 CarbonylContact O-C 3.58Å; W128-A698 WeakPolarHBondContact O-CA 3.48Å; W696-A698 PolarHBondContact O-N 3.48Å
699	V	96.1	Very high	96.4	Very high	23 Å²	23	19.3 Å²	19.3	14%	0.139	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.7	164.4	-66.5	0	0	0	0	108.7	W115 V116 L121 R127 W128	W115-V699 HydrophobicContact CZ3-CG1 4.33Å; V116-V699 HydrophobicContact CB-CG1 4.29Å; V116-V699 HydrophobicContact CG1-CG1 3.8Å; V116-V699 HydrophobicContact CG2-CG1 4.2Å; L121-V699 HydrophobicContact CB-CG2 4.07Å; L121-V699 HydrophobicContact CD1-CG2 4.14Å; R127-V699 CarbonylContact C-O 3.56Å; R127-V699 WeakPolarHBondContact CA-O 3.33Å; W128-V699 HydrophobicContact CB-CG2 3.8Å; W128-V699 PolarHBondContact N-O 3.17Å; W128-V699 PolarHBondContact O-N 3.41Å
700	R	94.7	Very high	96	Very high	53 Å²	53	20.6 Å²	20.6	20%	0.2	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	148.6	-178	-170	169.2	61.9	167.7	-3	110.1	S126 R127 S704 S705	S126-R700 CarbonylContact O-C 3.58Å; S126-R700 VanDerWaalsContact O-CA 3.25Å; S126-R700 WeakPolarHBondContact O-CA 3.46Å; S126-R700 WeakPolarHBondContact O-CG 3.18Å; R127-R700 HydrophobicContact CB-CG 4.2Å; R700-S704 WeakPolarHBondContact CD-OG 3.5Å; R700-S704 PolarHBondContact NH1-O 3.06Å; R700-S705 VanDerWaalsContact NE-CA 3.31Å; R700-S705 PolarHBondContact NE-OG 3.44Å; R700-S705 VanDerWaalsContact NH2-CA 3.29Å; R700-S705 PolarHBondContact NH2-OG 3.45Å
701	T	95.1	Very high	95.8	Very high	12 Å²	12	22 Å²	22	7%	0.074	12%	0.122	C	C	.	.			trans	-65.6	157.4	171.5	58.3	0	0	0	0	110.9	L121 S126 Y404 E703 S704 S705	L121-T701 HydrophobicContact CD2-CG2 3.34Å; S126-T701 PolarHBondContact O-N 3.04Å; Y404-T701 WeakPolarHBondContact O-CB 3.14Å; Y404-T701 PolarHBondContact O-OG1 2.99Å; T701-E703 VanDerWaalsContact C-N 3.27Å; T701-E703 WeakPolarHBondContact CB-OE2 3.49Å; T701-E703 PolarHBondContact O-N 2.84Å; T701-S704 WeakPolarHBondContact OG1-CB 3.07Å; T701-S704 PolarHBondContact OG1-N 3.46Å; T701-S705 WeakPolarHBondContact O-CB 3.46Å; T701-S705 PolarHBondContact O-N 3.27Å; T701-S705 PolarHBondContact O-OG 3.31Å
702	P	93.9	Very high	95.7	Very high	83 Å²	83	23.5 Å²	23.5	54%	0.539	13%	0.128	S	C	.	.	H	α-helix	trans	-57	-40.2	169.8	-25.6	35.7	0	0	0	112.7	S705 H706	P702-S705 WeakPolarHBondContact O-CA 3.32Å; P702-S705 WeakPolarHBondContact O-CB 3.08Å; P702-S705 PolarHBondContact O-N 2.76Å; P702-S705 VanDerWaalsContact O-N 3.13Å; P702-H706 PolarHBondContact O-N 2.97Å
703	E	94.2	Very high	95.6	Very high	53 Å²	53	25.4 Å²	25.4	25%	0.248	14%	0.141	C	C	.	.	H	α-helix	trans	-68	-47.2	-177.3	-62.5	73.4	-161.3	0	0	112.1	M403 T701 S705 H706 E707	M403-E703 WeakPolarHBondContact O-CB 3.45Å; T701-E703 VanDerWaalsContact C-N 3.27Å; T701-E703 WeakPolarHBondContact CB-OE2 3.49Å; T701-E703 PolarHBondContact O-N 2.84Å; E703-S705 PolarHBondContact O-N 3.45Å; E703-H706 PolarHBondContact O-N 2.93Å; E703-E707 PolarHBondContact O-N 2.91Å
704	S	94.9	Very high	95.6	Very high	10 Å²	10	28.1 Å²	28.1	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-68.5	-19.1	172.9	179	0	0	0	0	112	R700 T701 G708	R700-S704 WeakPolarHBondContact CD-OG 3.5Å; R700-S704 PolarHBondContact NH1-O 3.06Å; T701-S704 WeakPolarHBondContact OG1-CB 3.07Å; T701-S704 PolarHBondContact OG1-N 3.46Å; S704-G708 PolarHBondContact O-N 2.97Å; S704-G708 VanDerWaalsContact O-N 3.11Å
705	S	95.4	Very high	95.6	Very high	6 Å²	6	26.9 Å²	26.9	4%	0.042	15%	0.148	C	C	.	.	H	α-helix	trans	-73.3	-44.1	171.2	-59.3	0	0	0	0	114.1	N637 R700 T701 P702 E703 V709	N637-S705 WeakPolarHBondContact ND2-CB 3.48Å; R700-S705 VanDerWaalsContact NE-CA 3.31Å; R700-S705 PolarHBondContact NE-OG 3.44Å; R700-S705 VanDerWaalsContact NH2-CA 3.29Å; R700-S705 PolarHBondContact NH2-OG 3.45Å; T701-S705 WeakPolarHBondContact O-CB 3.46Å; T701-S705 PolarHBondContact O-N 3.27Å; T701-S705 PolarHBondContact O-OG 3.31Å; P702-S705 WeakPolarHBondContact O-CA 3.32Å; P702-S705 WeakPolarHBondContact O-CB 3.08Å; P702-S705 PolarHBondContact O-N 2.76Å; P702-S705 VanDerWaalsContact O-N 3.13Å; E703-S705 PolarHBondContact O-N 3.45Å; S705-V709 VanDerWaalsContact O-CG2 3.3Å; S705-V709 WeakPolarHBondContact O-CG2 3.05Å; S705-V709 PolarHBondContact O-N 2.82Å
706	H	93.9	Very high	95.6	Very high	23 Å²	23	27.2 Å²	27.2	11%	0.106	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-47.7	171.7	174.5	69.5	0	0	0	111.1	N257 Y260 E639 P702 E703 G708 V709 I710	N257-H706 PolarHBondContact OD1-NE2 3.19Å; Y260-H706 AromaticContact CE2-CD2 3.58Å; Y260-H706 AromaticContact CE2-NE2 3.65Å; Y260-H706 AromaticContact CZ-CD2 3.7Å; Y260-H706 PolarHBondContact OH-CD2 3.37Å; E639-H706 VanDerWaalsContact CD-ND1 3.33Å; E639-H706 IonicContact OE1-CG 2.67Å; E639-H706 IonicContact OE1-ND1 3.38Å; E639-H706 PolarHBondContact OE1-ND1 3.21Å; E639-H706 IonicContact OE2-CE1 3.4Å; E639-H706 IonicContact OE2-CG 3.14Å; E639-H706 IonicContact OE2-ND1 3.9Å; E639-H706 PolarHBondContact OE2-ND1 3.01Å; P702-H706 PolarHBondContact O-N 2.97Å; E703-H706 PolarHBondContact O-N 2.93Å; H706-G708 PolarHBondContact O-N 3.46Å; H706-V709 PolarHBondContact O-N 3.42Å; H706-I710 WeakPolarHBondContact NE2-CD1 3.38Å
707	E	94.8	Very high	95.6	Very high	30 Å²	30	26.7 Å²	26.7	14%	0.14	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-51.6	179.4	-174.8	-87.6	159.5	0	0	112.2	P246 Y250 Y404 E703 V709 I710 T711	P246-E707 HydrophobicContact CG-CG 4.48Å; Y250-E707 WeakPolarHBondContact OH-CA 3.31Å; Y250-E707 WeakPolarHBondContact OH-CB 3.38Å; Y250-E707 WeakPolarHBondContact OH-CG 3.46Å; Y404-E707 HydrophobicContact CD1-CG 4.34Å; Y404-E707 HydrophobicContact CE1-CB 4.43Å; Y404-E707 HydrophobicContact CE1-CG 3.75Å; E703-E707 PolarHBondContact O-N 2.91Å; E707-V709 PolarHBondContact O-N 2.85Å; E707-I710 WeakPolarHBondContact O-CB 3.43Å; E707-I710 PolarHBondContact O-N 3.33Å; E707-T711 HydrophobicContact CG-CG2 4.36Å; E707-T711 PolarHBondContact O-N 3.49Å; E707-T711 PolarHBondContact O-OG1 3.43Å; E707-T711 WeakPolarHBondContact OE1-CB 3.39Å; E707-T711 WeakPolarHBondContact OE1-CG2 3.43Å; E707-T711 PolarHBondContact OE1-OG1 2.96Å
708	G	94.8	Very high	95.6	Very high	5 Å²	5	30.2 Å²	30.2	5%	0.052	16%	0.163	C	C	.	.	H	α-helix	trans	-65.8	-21.5	-179.5	0	0	0	0	0	114.5	S704 H706 I710 D712	S704-G708 PolarHBondContact O-N 2.97Å; S704-G708 VanDerWaalsContact O-N 3.11Å; H706-G708 PolarHBondContact O-N 3.46Å; G708-I710 PolarHBondContact O-N 2.94Å; G708-D712 VanDerWaalsContact O-CB 3.26Å; G708-D712 WeakPolarHBondContact O-CB 3.4Å; G708-D712 PolarHBondContact O-N 3.46Å
709	V	93.7	Very high	95.7	Very high	22 Å²	22	30.2 Å²	30.2	13%	0.133	16%	0.16	C	C	.	.	H	α-helix	trans	-69.2	-26.1	172.3	167.3	0	0	0	0	111.6	I636 E639 L641 S705 H706 E707	I636-V709 HydrophobicContact CG2-CG2 3.42Å; I636-V709 VanDerWaalsContact CG2-CG2 3.42Å; E639-V709 HydrophobicContact CB-CG1 4.49Å; L641-V709 HydrophobicContact CD2-CG2 3.9Å; S705-V709 VanDerWaalsContact O-CG2 3.3Å; S705-V709 WeakPolarHBondContact O-CG2 3.05Å; S705-V709 PolarHBondContact O-N 2.82Å; H706-V709 PolarHBondContact O-N 3.42Å; E707-V709 PolarHBondContact O-N 2.85Å
710	I	91.3	Very high	95.8	Very high	27 Å²	27	29.8 Å²	29.8	14%	0.138	16%	0.155	C	C	.	.	H	α-helix	trans	-93	-37.2	-177.1	-61.3	169.4	0	0	0	111.4	S247 D249 Y250 H706 E707 G708	S247-I710 WeakPolarHBondContact OG-CG2 3.28Å; D249-I710 HydrophobicContact CB-CG2 3.97Å; Y250-I710 HydrophobicContact CE2-CD1 4.17Å; Y250-I710 HydrophobicContact CE2-CG2 4.5Å; H706-I710 WeakPolarHBondContact NE2-CD1 3.38Å; E707-I710 WeakPolarHBondContact O-CB 3.43Å; E707-I710 PolarHBondContact O-N 3.33Å; G708-I710 PolarHBondContact O-N 2.94Å
711	T	94.1	Very high	96	Very high	30 Å²	30	27.2 Å²	27.2	18%	0.184	15%	0.146	C	C	.	.	H	α-helix	trans	-112.5	-29.2	-164.8	59.3	0	0	0	0	115	P246 E707 P713	P246-T711 HydrophobicContact CB-CG2 3.68Å; E707-T711 HydrophobicContact CG-CG2 4.36Å; E707-T711 PolarHBondContact O-N 3.49Å; E707-T711 PolarHBondContact O-OG1 3.43Å; E707-T711 WeakPolarHBondContact OE1-CB 3.39Å; E707-T711 WeakPolarHBondContact OE1-CG2 3.43Å; E707-T711 PolarHBondContact OE1-OG1 2.96Å; T711-P713 WeakPolarHBondContact O-CD 3.43Å
712	D	95.9	Very high	96.2	Very high	37 Å²	37	27.3 Å²	27.3	20%	0.198	15%	0.146	C	C	.	.			trans	-87.8	117.8	-170.6	-165.1	-9	0	0	0	109.7	H645 G708 H714	H645-D712 PolarHBondContact CD2-O 3.22Å; H645-D712 VanDerWaalsContact CD2-O 3.3Å; H645-D712 PolarHBondContact NE2-O 3.36Å; H645-D712 VanDerWaalsContact NE2-O 3.14Å; G708-D712 VanDerWaalsContact O-CB 3.26Å; G708-D712 WeakPolarHBondContact O-CB 3.4Å; G708-D712 PolarHBondContact O-N 3.46Å; D712-H714 PolarHBondContact O-N 2.94Å; D712-H714 VanDerWaalsContact O-N 3.11Å; D712-H714 WeakPolarHBondContact OD1-CB 3.01Å; D712-H714 IonicContact OD1-CE1 2.97Å; D712-H714 IonicContact OD1-CG 3.45Å; D712-H714 PolarHBondContact OD1-N 2.72Å; D712-H714 IonicContact OD1-ND1 2.99Å; D712-H714 PolarHBondContact OD1-ND1 2.87Å
713	P	96.8	Very high	96.4	Very high	42 Å²	42	23.3 Å²	23.3	27%	0.273	12%	0.12	S	C	.	.	S	Bend	trans	-65.3	-13.2	174.6	29.6	-36.7	0	0	0	111.8	H645 T646 E649 T711	H645-P713 WeakPolarHBondContact NE2-CA 3.37Å; T646-P713 WeakPolarHBondContact CA-O 3.36Å; T646-P713 WeakPolarHBondContact CB-O 3.41Å; T646-P713 WeakPolarHBondContact CG2-O 3.43Å; E649-P713 HydrophobicContact CG-CB 4.24Å; E649-P713 WeakPolarHBondContact CG-O 3.46Å; T711-P713 WeakPolarHBondContact O-CD 3.43Å
714	H	98.3	Very high	96.6	Very high	57 Å²	57	20.9 Å²	20.9	26%	0.264	11%	0.109	S	C	.	.	S	Bend	trans	-85.5	138	174.2	-50.2	90.4	0	0	0	111.3	E649 D712 R720	E649-H714 HydrophobicContact CG-CB 4.44Å; E649-H714 VanDerWaalsContact CG-CD2 3.42Å; E649-H714 WeakPolarHBondContact CG-CD2 3.49Å; E649-H714 IonicContact OE1-NE2 3.76Å; E649-H714 IonicContact OE2-CD2 3.46Å; E649-H714 PolarHBondContact OE2-CD2 2.99Å; E649-H714 IonicContact OE2-NE2 2.61Å; E649-H714 PolarHBondContact OE2-NE2 3.36Å; D712-H714 PolarHBondContact O-N 2.94Å; D712-H714 VanDerWaalsContact O-N 3.11Å; D712-H714 WeakPolarHBondContact OD1-CB 3.01Å; D712-H714 IonicContact OD1-CE1 2.97Å; D712-H714 IonicContact OD1-CG 3.45Å; D712-H714 PolarHBondContact OD1-N 2.72Å; D712-H714 IonicContact OD1-ND1 2.99Å; D712-H714 PolarHBondContact OD1-ND1 2.87Å; H714-R720 PolarHBondContact CD2-NH1 3.42Å
715	S	98.4	Very high	96.7	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.014	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-57.4	147	164.4	-73.7	0	0	0	0	110.8	Y631 N650 R720	Y631-S715 WeakPolarHBondContact CD1-OG 3.4Å; Y631-S715 WeakPolarHBondContact CE1-OG 3.49Å; N650-S715 WeakPolarHBondContact OD1-CB 3.29Å; N650-S715 PolarHBondContact OD1-OG 3.25Å; S715-R720 WeakPolarHBondContact O-CD 3.45Å; S715-R720 WeakPolarHBondContact O-CG 3.24Å
716	P	98.1	Very high	96.9	Very high	15 Å²	15	20.3 Å²	20.3	10%	0.097	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-54.1	145.6	172.8	-25.6	34	0	0	0	111.4	I636 L641 R718 F719 R720	I636-P716 HydrophobicContact CD1-CB 4.41Å; L641-P716 HydrophobicContact CD1-CG 4.44Å; L641-P716 HydrophobicContact CD2-CG 3.86Å; P716-R718 PolarHBondContact O-N 2.03Å; P716-F719 HydrophobicContact CB-CD2 4.18Å; P716-F719 HydrophobicContact CG-CD2 4.24Å; P716-F719 WeakPolarHBondContact O-CA 3.4Å; P716-F719 PolarHBondContact O-N 3.29Å; P716-R720 PolarHBondContact O-N 3.43Å; P716-R720 VanDerWaalsContact O-N 3.11Å
717	S	98	Very high	97.1	Very high	11 Å²	11	20 Å²	20	8%	0.077	10%	0.104	C	C	.	.	H	α-helix	trans	-48.5	-39	-169.9	-50.1	0	0	0	0	114.4	R127 W696 F719 R720 V721	R127-S717 PolarHBondContact NH2-OG 2.93Å; W696-S717 WeakPolarHBondContact O-CB 3.36Å; S717-F719 VanDerWaalsContact C-N 3.32Å; S717-F719 PolarHBondContact O-N 2.87Å; S717-R720 PolarHBondContact O-N 3.17Å; S717-V721 PolarHBondContact O-N 3.49Å; S717-V721 VanDerWaalsContact O-N 3.15Å
718	R	98.1	Very high	97.3	Very high	75 Å²	75	19.3 Å²	19.3	28%	0.283	10%	0.102	S	C	.	.	H	α-helix	trans	-59.2	-40.5	176.8	176.6	173.3	175.8	89.8	2.3	113.3	D106 Y108 N109 P716 V721 I722	D106-R718 IonicContact OD1-CZ 3.56Å; D106-R718 IonicContact OD1-NH1 3.86Å; D106-R718 PolarHBondContact OD1-NH1 3.41Å; D106-R718 VanDerWaalsContact OD1-NH1 3.15Å; D106-R718 IonicContact OD1-NH2 2.72Å; D106-R718 PolarHBondContact OD1-NH2 3.43Å; D106-R718 IonicContact OD2-CZ 3.55Å; D106-R718 IonicContact OD2-NH1 3.43Å; D106-R718 PolarHBondContact OD2-NH1 3.33Å; D106-R718 IonicContact OD2-NH2 3.2Å; D106-R718 PolarHBondContact OD2-NH2 2.87Å; Y108-R718 HydrophobicContact CD1-CB 4.16Å; Y108-R718 HydrophobicContact CD1-CG 3.92Å; Y108-R718 HydrophobicContact CD2-CB 4.08Å; Y108-R718 HydrophobicContact CD2-CG 4.26Å; Y108-R718 HydrophobicContact CE1-CB 4.2Å; Y108-R718 HydrophobicContact CE1-CG 4.43Å; Y108-R718 HydrophobicContact CE2-CB 4.14Å; Y108-R718 HydrophobicContact CG-CB 4.06Å; Y108-R718 HydrophobicContact CG-CG 3.79Å; N109-R718 VanDerWaalsContact CG-NH1 3.28Å; N109-R718 PolarHBondContact ND2-NH1 3.43Å; N109-R718 VanDerWaalsContact ND2-NH1 3.12Å; N109-R718 PolarHBondContact OD1-NH1 3.04Å; P716-R718 PolarHBondContact O-N 2.03Å; R718-V721 PolarHBondContact O-N 3.38Å; R718-I722 HydrophobicContact CG-CD1 3.7Å; R718-I722 HydrophobicContact CG-CG1 4.49Å; R718-I722 WeakPolarHBondContact O-CB 3.2Å; R718-I722 WeakPolarHBondContact O-CG1 3.39Å; R718-I722 PolarHBondContact O-N 3Å
719	F	98.6	Very high	97.4	Very high	19 Å²	19	26.7 Å²	26.7	8%	0.083	13%	0.128	C	C	.	.	H	α-helix	trans	-84.8	-22.1	-179.5	-60.9	-62.5	0	0	0	112.8	Y631 Y634 S635 I636 L641 P716 S717 V721 G723	Y631-F719 WeakPolarHBondContact CE1-O 3.33Å; Y634-F719 AromaticContact CD1-CD1 3.88Å; Y634-F719 HydrophobicContact CD1-CD1 3.88Å; Y634-F719 AromaticContact CD1-CE1 3.86Å; Y634-F719 HydrophobicContact CD1-CE1 3.86Å; Y634-F719 HydrophobicContact CD2-CB 3.95Å; Y634-F719 AromaticContact CD2-CD1 3.55Å; Y634-F719 HydrophobicContact CD2-CD1 3.55Å; Y634-F719 HydrophobicContact CD2-CE1 4.28Å; Y634-F719 AromaticContact CD2-CG 3.88Å; Y634-F719 HydrophobicContact CD2-CG 3.88Å; Y634-F719 HydrophobicContact CE1-CD1 4.42Å; Y634-F719 HydrophobicContact CE2-CB 4.44Å; Y634-F719 HydrophobicContact CE2-CD1 4.13Å; Y634-F719 AromaticContact CG-CD1 3.42Å; Y634-F719 HydrophobicContact CG-CD1 3.42Å; Y634-F719 VanDerWaalsContact CG-CD1 3.42Å; Y634-F719 AromaticContact CG-CE1 3.67Å; Y634-F719 HydrophobicContact CG-CE1 3.67Å; Y634-F719 HydrophobicContact CG-CG 4.04Å; Y634-F719 HydrophobicContact CG-CZ 4.44Å; S635-F719 VanDerWaalsContact O-CZ 3.28Å; S635-F719 WeakPolarHBondContact O-CZ 3.32Å; I636-F719 HydrophobicContact CB-CE2 4.34Å; L641-F719 HydrophobicContact CD1-CB 4.17Å; L641-F719 HydrophobicContact CD1-CD2 3.68Å; L641-F719 HydrophobicContact CD1-CE2 4.32Å; L641-F719 HydrophobicContact CD1-CG 4.05Å; P716-F719 HydrophobicContact CB-CD2 4.18Å; P716-F719 HydrophobicContact CG-CD2 4.24Å; P716-F719 WeakPolarHBondContact O-CA 3.4Å; P716-F719 PolarHBondContact O-N 3.29Å; S717-F719 VanDerWaalsContact C-N 3.32Å; S717-F719 PolarHBondContact O-N 2.87Å; F719-V721 VanDerWaalsContact C-N 3.27Å; F719-G723 WeakPolarHBondContact O-CA 3.26Å; F719-G723 PolarHBondContact O-N 2.86Å
720	R	98.8	Very high	97.6	Very high	13 Å²	13	29 Å²	29	5%	0.049	14%	0.137	C	C	.	.	H	α-helix	trans	-60.8	-38.7	163	-61.4	-170	77.5	158.5	0.4	111.2	H589 E649 D653 W696 H714 S715 P716 S717 T724	H589-R720 PolarHBondContact CE1-NH2 2.87Å; E649-R720 IonicContact OE2-NH2 3.09Å; D653-R720 IonicContact OD1-CZ 2.65Å; D653-R720 IonicContact OD1-NE 2.76Å; D653-R720 PolarHBondContact OD1-NE 2.84Å; D653-R720 IonicContact OD1-NH2 2.95Å; D653-R720 PolarHBondContact OD1-NH2 2.99Å; D653-R720 WeakPolarHBondContact OD2-CB 3.5Å; D653-R720 VanDerWaalsContact OD2-CG 3.29Å; D653-R720 WeakPolarHBondContact OD2-CG 3.48Å; D653-R720 IonicContact OD2-CZ 2.66Å; D653-R720 IonicContact OD2-NE 3.21Å; D653-R720 PolarHBondContact OD2-NE 3.33Å; D653-R720 IonicContact OD2-NH2 3.26Å; W696-R720 HydrophobicContact CD2-CB 4.42Å; H714-R720 PolarHBondContact CD2-NH1 3.42Å; S715-R720 WeakPolarHBondContact O-CD 3.45Å; S715-R720 WeakPolarHBondContact O-CG 3.24Å; P716-R720 PolarHBondContact O-N 3.43Å; P716-R720 VanDerWaalsContact O-N 3.11Å; S717-R720 PolarHBondContact O-N 3.17Å; R720-T724 WeakPolarHBondContact O-CB 3.49Å; R720-T724 PolarHBondContact O-OG1 3.36Å
721	V	98.8	Very high	98	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-71.8	-61.3	172.9	177.7	0	0	0	0	111.1	F107 Y108 F692 A693 W696 S717 R718 F719 G723 T724 I725	F107-V721 HydrophobicContact CD1-CG1 3.94Å; Y108-V721 HydrophobicContact CD2-CB 3.96Å; Y108-V721 HydrophobicContact CD2-CG1 4.41Å; Y108-V721 HydrophobicContact CD2-CG2 3.84Å; Y108-V721 HydrophobicContact CE2-CG2 4.32Å; F692-V721 HydrophobicContact CE1-CB 4.4Å; F692-V721 HydrophobicContact CE1-CG1 4.31Å; F692-V721 HydrophobicContact CE1-CG2 4.34Å; A693-V721 HydrophobicContact CB-CG1 3.72Å; A693-V721 HydrophobicContact CB-CG2 4.11Å; W696-V721 HydrophobicContact CB-CG2 3.56Å; W696-V721 HydrophobicContact CG-CG2 3.98Å; S717-V721 PolarHBondContact O-N 3.49Å; S717-V721 VanDerWaalsContact O-N 3.15Å; R718-V721 PolarHBondContact O-N 3.38Å; F719-V721 VanDerWaalsContact C-N 3.27Å; V721-G723 PolarHBondContact O-N 3.36Å; V721-T724 PolarHBondContact O-N 3.49Å; V721-I725 HydrophobicContact CG1-CG1 4.41Å; V721-I725 WeakPolarHBondContact O-CG1 3.26Å; V721-I725 PolarHBondContact O-N 2.89Å
722	I	98.8	Very high	98.2	Very high	13 Å²	13	26.6 Å²	26.6	7%	0.067	12%	0.124	C	C	.	.	H	α-helix	trans	-61	-47.7	-171.3	-72.3	173.1	0	0	0	111.9	Y634 R718 T724 S726 M743	Y634-I722 HydrophobicContact CE1-CG2 4.45Å; R718-I722 HydrophobicContact CG-CD1 3.7Å; R718-I722 HydrophobicContact CG-CG1 4.49Å; R718-I722 WeakPolarHBondContact O-CB 3.2Å; R718-I722 WeakPolarHBondContact O-CG1 3.39Å; R718-I722 PolarHBondContact O-N 3Å; I722-T724 VanDerWaalsContact C-N 3.34Å; I722-T724 PolarHBondContact O-N 2.95Å; I722-S726 WeakPolarHBondContact O-CB 3.43Å; I722-S726 PolarHBondContact O-N 3.48Å; I722-S726 PolarHBondContact O-OG 3.48Å; I722-M743 HydrophobicContact CB-SD 4.49Å; I722-M743 HydrophobicContact CG1-CE 4.36Å; I722-M743 HydrophobicContact CG1-SD 4.13Å; I722-M743 HydrophobicContact CG2-CE 3.65Å; I722-M743 HydrophobicContact CG2-SD 4.17Å
723	G	98.5	Very high	98.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.2	-45.8	-177.6	0	0	0	0	0	111.8	Q630 F719 V721 N727	Q630-G723 PolarHBondContact NE2-O 2.9Å; F719-G723 WeakPolarHBondContact O-CA 3.26Å; F719-G723 PolarHBondContact O-N 2.86Å; V721-G723 PolarHBondContact O-N 3.36Å; G723-N727 PolarHBondContact O-N 3.47Å; G723-N727 PolarHBondContact O-ND2 3.42Å
724	T	98.8	Very high	98.4	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	15%	0.146	C	C	.	.	H	α-helix	trans	-67.6	-51	-177.6	-52	0	0	0	0	112.6	Y631 D653 L657 F692 R720 V721 I722 S726 N727 S728	Y631-T724 PolarHBondContact OH-N 2.88Å; D653-T724 HydrophobicContact CB-CG2 4.4Å; D653-T724 WeakPolarHBondContact CB-OG1 3.48Å; D653-T724 WeakPolarHBondContact O-CG2 2.96Å; L657-T724 HydrophobicContact CB-CG2 3.66Å; L657-T724 HydrophobicContact CD2-CG2 3.44Å; L657-T724 VanDerWaalsContact CD2-CG2 3.44Å; L657-T724 HydrophobicContact CG-CG2 4.15Å; F692-T724 HydrophobicContact CZ-CG2 4.04Å; R720-T724 WeakPolarHBondContact O-CB 3.49Å; R720-T724 PolarHBondContact O-OG1 3.36Å; V721-T724 PolarHBondContact O-N 3.49Å; I722-T724 VanDerWaalsContact C-N 3.34Å; I722-T724 PolarHBondContact O-N 2.95Å; T724-S726 VanDerWaalsContact C-N 3.3Å; T724-S726 PolarHBondContact O-N 2.84Å; T724-N727 PolarHBondContact O-N 3.26Å; T724-N727 VanDerWaalsContact O-N 3.11Å; T724-S728 PolarHBondContact O-N 3.18Å
725	I	98.1	Very high	98.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-70.7	-27.6	-179.4	58.5	122.4	0	0	0	112.6	F107 L657 F689 F692 V721 N727 S728 F731 M743	F107-I725 HydrophobicContact CB-CD1 3.29Å; F107-I725 HydrophobicContact CB-CG1 4.36Å; F107-I725 HydrophobicContact CD1-CD1 3.78Å; F107-I725 HydrophobicContact CD1-CG1 4.2Å; F107-I725 HydrophobicContact CD1-CG2 4.29Å; F107-I725 HydrophobicContact CG-CD1 3.74Å; L657-I725 HydrophobicContact CD2-CG2 4.11Å; F689-I725 HydrophobicContact CD1-CG2 4.37Å; F692-I725 HydrophobicContact CD1-CG2 4.03Å; F692-I725 HydrophobicContact CE1-CG2 3.78Å; V721-I725 HydrophobicContact CG1-CG1 4.41Å; V721-I725 WeakPolarHBondContact O-CG1 3.26Å; V721-I725 PolarHBondContact O-N 2.89Å; I725-N727 PolarHBondContact O-N 2.87Å; I725-S728 PolarHBondContact O-N 2.9Å; I725-S728 VanDerWaalsContact O-N 3.13Å; I725-F731 HydrophobicContact CB-CD1 4.14Å; I725-F731 HydrophobicContact CB-CD2 4.25Å; I725-F731 HydrophobicContact CB-CG 4Å; I725-F731 HydrophobicContact CD1-CD1 4Å; I725-F731 HydrophobicContact CD1-CE1 3.59Å; I725-F731 HydrophobicContact CD1-CE2 4.13Å; I725-F731 HydrophobicContact CD1-CG 4.47Å; I725-F731 HydrophobicContact CD1-CZ 3.65Å; I725-F731 HydrophobicContact CG2-CD2 4.36Å; I725-F731 HydrophobicContact CG2-CG 4.49Å; I725-M743 HydrophobicContact CD1-CB 3.94Å; I725-M743 HydrophobicContact CD1-CG 3.93Å; I725-M743 HydrophobicContact CD1-SD 3.5Å; I725-M743 VanDerWaalsContact CD1-SD 3.5Å; I725-M743 HydrophobicContact CG1-SD 4.46Å
726	S	98.4	Very high	98.4	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-28	172.4	-63.6	0	0	0	0	111.9	I722 T724 P745 K748	I722-S726 WeakPolarHBondContact O-CB 3.43Å; I722-S726 PolarHBondContact O-N 3.48Å; I722-S726 PolarHBondContact O-OG 3.48Å; T724-S726 VanDerWaalsContact C-N 3.3Å; T724-S726 PolarHBondContact O-N 2.84Å; S726-P745 WeakPolarHBondContact O-CD 3.3Å; S726-K748 WeakPolarHBondContact O-CG 3.31Å; S726-K748 PolarHBondContact O-NZ 3.21Å
727	N	98.5	Very high	98.4	Very high	18 Å²	18	34 Å²	34	10%	0.096	17%	0.167	C	C	.	.	H	α-helix	trans	-88.4	-15.1	176.9	-68.1	-30.9	0	0	0	113.9	Q630 N654 G723 T724 I725 C749	Q630-N727 PolarHBondContact NE2-ND2 3.21Å; Q630-N727 PolarHBondContact OE1-ND2 3.36Å; N654-N727 VanDerWaalsContact OD1-CB 3.3Å; N654-N727 WeakPolarHBondContact OD1-CB 3.42Å; N654-N727 PolarHBondContact OD1-ND2 3.48Å; G723-N727 PolarHBondContact O-N 3.47Å; G723-N727 PolarHBondContact O-ND2 3.42Å; T724-N727 PolarHBondContact O-N 3.26Å; T724-N727 VanDerWaalsContact O-N 3.11Å; I725-N727 PolarHBondContact O-N 2.87Å; N727-C749 WeakPolarHBondContact CB-O 3.49Å; N727-C749 PolarHBondContact OD1-N 3.28Å
728	S	98.3	Very high	98.3	Very high	14 Å²	14	41.7 Å²	41.7	10%	0.098	20%	0.199	C	C	.	.			trans	-80.2	128.9	176.9	174.8	0	0	0	0	111.6	T724 I725 E730 F731 S732 K748	T724-S728 PolarHBondContact O-N 3.18Å; I725-S728 PolarHBondContact O-N 2.9Å; I725-S728 VanDerWaalsContact O-N 3.13Å; S728-E730 PolarHBondContact OG-N 2.88Å; S728-E730 PolarHBondContact OG-OE2 3.44Å; S728-F731 PolarHBondContact OG-N 2.88Å; S728-S732 PolarHBondContact O-OG 3.12Å; S728-K748 PolarHBondContact O-NZ 2.73Å
729	R	97.6	Very high	98.1	Very high	160 Å²	160	41.8 Å²	41.8	60%	0.604	22%	0.217	S	C	*	.	H	α-helix	trans	-80.8	-33.2	172.9	-65.6	178.6	-173.9	-91.5	-1.2	110.9	S732 K733 K748	R729-S732 PolarHBondContact O-N 2.85Å; R729-K733 WeakPolarHBondContact O-CB 3.45Å; R729-K733 PolarHBondContact O-N 3.29Å; R729-K748 HydrophobicContact CG-CD 3.89Å
730	E	98.2	Very high	97.8	Very high	70 Å²	70	45.1 Å²	45.1	33%	0.327	24%	0.235	S	C	.	.	H	α-helix	trans	-61.9	-46.1	178.5	-59.3	72.1	-157.6	0	0	109.9	Y661 F689 S728 K733 H734	Y661-E730 HydrophobicContact CD1-CB 3.94Å; Y661-E730 HydrophobicContact CD1-CG 3.75Å; Y661-E730 HydrophobicContact CE1-CB 3.54Å; Y661-E730 HydrophobicContact CE1-CG 3.48Å; Y661-E730 VanDerWaalsContact CE1-CG 3.48Å; F689-E730 HydrophobicContact CZ-CB 4.05Å; S728-E730 PolarHBondContact OG-N 2.88Å; S728-E730 PolarHBondContact OG-OE2 3.44Å; E730-K733 WeakPolarHBondContact O-CB 3.36Å; E730-K733 PolarHBondContact O-N 2.83Å; E730-H734 PolarHBondContact O-CD2 2.92Å; E730-H734 PolarHBondContact O-N 3.43Å
731	F	98.8	Very high	97.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-53.2	-57.6	172.4	171.7	-99.4	0	0	0	111.3	F107 F689 I725 S728 K733 H734 F735 M743	F107-F731 HydrophobicContact CB-CZ 4.06Å; F107-F731 AromaticContact CD1-CE2 3.9Å; F107-F731 HydrophobicContact CD1-CE2 3.9Å; F107-F731 HydrophobicContact CD1-CZ 4.27Å; F107-F731 AromaticContact CD2-CE2 3.48Å; F107-F731 HydrophobicContact CD2-CE2 3.48Å; F107-F731 VanDerWaalsContact CD2-CE2 3.48Å; F107-F731 AromaticContact CD2-CZ 3.53Å; F107-F731 HydrophobicContact CD2-CZ 3.53Å; F107-F731 AromaticContact CE1-CE2 3.89Å; F107-F731 HydrophobicContact CE1-CE2 3.89Å; F107-F731 AromaticContact CE2-CE2 3.5Å; F107-F731 HydrophobicContact CE2-CE2 3.5Å; F107-F731 HydrophobicContact CE2-CZ 4.03Å; F107-F731 AromaticContact CG-CE2 3.7Å; F107-F731 HydrophobicContact CG-CE2 3.7Å; F107-F731 AromaticContact CG-CZ 3.69Å; F107-F731 HydrophobicContact CG-CZ 3.69Å; F107-F731 HydrophobicContact CZ-CD2 4.5Å; F107-F731 AromaticContact CZ-CE2 3.71Å; F107-F731 HydrophobicContact CZ-CE2 3.71Å; F689-F731 HydrophobicContact CB-CD2 4.03Å; F689-F731 HydrophobicContact CB-CE2 4.48Å; F689-F731 HydrophobicContact CD1-CB 4.09Å; F689-F731 AromaticContact CD1-CD2 3.96Å; F689-F731 HydrophobicContact CD1-CD2 3.96Å; F689-F731 HydrophobicContact CD1-CG 4.49Å; F689-F731 HydrophobicContact CD2-CD2 4.16Å; F689-F731 HydrophobicContact CE1-CB 3.78Å; F689-F731 HydrophobicContact CE1-CD2 4.5Å; F689-F731 HydrophobicContact CE2-CB 4.3Å; F689-F731 HydrophobicContact CG-CB 4.48Å; F689-F731 AromaticContact CG-CD2 3.79Å; F689-F731 HydrophobicContact CG-CD2 3.79Å; F689-F731 HydrophobicContact CZ-CB 3.91Å; I725-F731 HydrophobicContact CB-CD1 4.14Å; I725-F731 HydrophobicContact CB-CD2 4.25Å; I725-F731 HydrophobicContact CB-CG 4Å; I725-F731 HydrophobicContact CD1-CD1 4Å; I725-F731 HydrophobicContact CD1-CE1 3.59Å; I725-F731 HydrophobicContact CD1-CE2 4.13Å; I725-F731 HydrophobicContact CD1-CG 4.47Å; I725-F731 HydrophobicContact CD1-CZ 3.65Å; I725-F731 HydrophobicContact CG2-CD2 4.36Å; I725-F731 HydrophobicContact CG2-CG 4.49Å; S728-F731 PolarHBondContact OG-N 2.88Å; F731-K733 PolarHBondContact O-N 3.33Å; F731-H734 PolarHBondContact O-N 3.04Å; F731-H734 VanDerWaalsContact O-N 3.08Å; F731-F735 AromaticContact CD2-CD2 3.53Å; F731-F735 HydrophobicContact CD2-CD2 3.53Å; F731-F735 AromaticContact CD2-CE2 3.74Å; F731-F735 HydrophobicContact CD2-CE2 3.74Å; F731-F735 HydrophobicContact CD2-CG 4.47Å; F731-F735 AromaticContact CE2-CD2 3.27Å; F731-F735 HydrophobicContact CE2-CD2 3.27Å; F731-F735 AromaticContact CE2-CE2 3.49Å; F731-F735 HydrophobicContact CE2-CE2 3.49Å; F731-F735 VanDerWaalsContact CE2-CE2 3.49Å; F731-F735 AromaticContact CE2-CG 3.87Å; F731-F735 HydrophobicContact CE2-CG 3.87Å; F731-F735 HydrophobicContact CE2-CZ 4.24Å; F731-F735 HydrophobicContact CG-CD2 4.39Å; F731-F735 HydrophobicContact CZ-CB 4.36Å; F731-F735 AromaticContact CZ-CD2 3.95Å; F731-F735 HydrophobicContact CZ-CD2 3.95Å; F731-F735 HydrophobicContact CZ-CE2 4.49Å; F731-F735 HydrophobicContact CZ-CG 4.12Å; F731-F735 PolarHBondContact O-N 3.27Å; F731-M743 HydrophobicContact CE1-CB 3.73Å; F731-M743 HydrophobicContact CZ-CB 4.45Å
732	S	98.5	Very high	97.7	Very high	7 Å²	7	48.7 Å²	48.7	5%	0.049	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-35	-177.3	-52.9	0	0	0	0	112	S728 R729 G736 C737 M743 N744 K748	S728-S732 PolarHBondContact O-OG 3.12Å; R729-S732 PolarHBondContact O-N 2.85Å; S732-G736 PolarHBondContact O-N 2.94Å; S732-C737 PolarHBondContact O-N 3.48Å; S732-M743 PolarHBondContact OG-O 2.9Å; S732-N744 WeakPolarHBondContact OG-CB 3.36Å; S732-N744 PolarHBondContact OG-OD1 3.05Å; S732-K748 PolarHBondContact OG-NZ 2.85Å; S732-K748 VanDerWaalsContact OG-NZ 3.15Å
733	K	98.4	Very high	97.6	Very high	165 Å²	165	48.5 Å²	48.5	72%	0.717	26%	0.26	S	S	*	.	H	α-helix	trans	-65	-48.7	174.2	-179.2	-173.5	176.1	-171.9	0	112	R729 E730 F731 F735 G736	R729-K733 WeakPolarHBondContact O-CB 3.45Å; R729-K733 PolarHBondContact O-N 3.29Å; E730-K733 WeakPolarHBondContact O-CB 3.36Å; E730-K733 PolarHBondContact O-N 2.83Å; F731-K733 PolarHBondContact O-N 3.33Å; K733-F735 VanDerWaalsContact C-N 3.34Å; K733-F735 PolarHBondContact O-N 3.45Å; K733-G736 PolarHBondContact O-N 2.88Å
734	H	98.3	Very high	97.6	Very high	43 Å²	43	49.8 Å²	49.8	20%	0.199	27%	0.267	C	S	.	.	H	α-helix	trans	-72.9	-24.8	-175.5	-77.2	-66.5	0	0	0	114.1	Y661 H685 Q686 E730 F731	Y661-H734 AromaticContact CZ-NE2 3.92Å; Y661-H734 PolarHBondContact OH-CD2 2.93Å; Y661-H734 PolarHBondContact OH-NE2 2.8Å; H685-H734 VanDerWaalsContact CB-CE1 3.5Å; H685-H734 WeakPolarHBondContact CB-CE1 3.25Å; H685-H734 WeakPolarHBondContact CB-ND1 3.45Å; H685-H734 AromaticContact CD2-CE1 3.6Å; H685-H734 AromaticContact CG-CE1 3.43Å; H685-H734 VanDerWaalsContact CG-CE1 3.43Å; H685-H734 AromaticContact CG-ND1 3.88Å; H685-H734 AromaticContact CG-NE2 3.82Å; H685-H734 AromaticContact ND1-CE1 3.95Å; H685-H734 AromaticContact ND1-NE2 3.96Å; Q686-H734 HydrophobicContact CG-CB 4.3Å; Q686-H734 PolarHBondContact NE2-O 3.35Å; E730-H734 PolarHBondContact O-CD2 2.92Å; E730-H734 PolarHBondContact O-N 3.43Å; F731-H734 PolarHBondContact O-N 3.04Å; F731-H734 VanDerWaalsContact O-N 3.08Å
735	F	98.3	Very high	97.5	Very high	27 Å²	27	51.5 Å²	51.5	12%	0.118	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-0.7	174.3	-74.3	-91.2	0	0	0	113.5	P103 F107 F110 Q686 F689 V690 F731 K733 C737	P103-F735 HydrophobicContact CB-CD1 3.66Å; P103-F735 HydrophobicContact CB-CE1 4.07Å; P103-F735 HydrophobicContact CB-CG 4.45Å; P103-F735 HydrophobicContact CG-CD1 3.76Å; P103-F735 HydrophobicContact CG-CE1 4.4Å; F107-F735 HydrophobicContact CE2-CD1 4.38Å; F107-F735 AromaticContact CE2-CE1 3.73Å; F107-F735 HydrophobicContact CE2-CE1 3.73Å; F107-F735 HydrophobicContact CE2-CE2 4.01Å; F107-F735 AromaticContact CE2-CZ 3.51Å; F107-F735 HydrophobicContact CE2-CZ 3.51Å; F107-F735 HydrophobicContact CZ-CE2 4.18Å; F107-F735 AromaticContact CZ-CZ 3.86Å; F107-F735 HydrophobicContact CZ-CZ 3.86Å; F110-F735 HydrophobicContact CE1-CE1 4.05Å; Q686-F735 HydrophobicContact CB-CE1 4.32Å; Q686-F735 HydrophobicContact CB-CE2 4.1Å; Q686-F735 HydrophobicContact CB-CZ 3.73Å; Q686-F735 HydrophobicContact CG-CD2 4.38Å; Q686-F735 HydrophobicContact CG-CE1 4.2Å; Q686-F735 HydrophobicContact CG-CE2 3.97Å; Q686-F735 HydrophobicContact CG-CZ 3.88Å; F689-F735 HydrophobicContact CB-CE2 4Å; F689-F735 HydrophobicContact CD2-CE2 4.07Å; F689-F735 HydrophobicContact CG-CE2 4.36Å; V690-F735 HydrophobicContact CG2-CZ 4.36Å; F731-F735 AromaticContact CD2-CD2 3.53Å; F731-F735 HydrophobicContact CD2-CD2 3.53Å; F731-F735 AromaticContact CD2-CE2 3.74Å; F731-F735 HydrophobicContact CD2-CE2 3.74Å; F731-F735 HydrophobicContact CD2-CG 4.47Å; F731-F735 AromaticContact CE2-CD2 3.27Å; F731-F735 HydrophobicContact CE2-CD2 3.27Å; F731-F735 AromaticContact CE2-CE2 3.49Å; F731-F735 HydrophobicContact CE2-CE2 3.49Å; F731-F735 VanDerWaalsContact CE2-CE2 3.49Å; F731-F735 AromaticContact CE2-CG 3.87Å; F731-F735 HydrophobicContact CE2-CG 3.87Å; F731-F735 HydrophobicContact CE2-CZ 4.24Å; F731-F735 HydrophobicContact CG-CD2 4.39Å; F731-F735 HydrophobicContact CZ-CB 4.36Å; F731-F735 AromaticContact CZ-CD2 3.95Å; F731-F735 HydrophobicContact CZ-CD2 3.95Å; F731-F735 HydrophobicContact CZ-CE2 4.49Å; F731-F735 HydrophobicContact CZ-CG 4.12Å; F731-F735 PolarHBondContact O-N 3.27Å; K733-F735 VanDerWaalsContact C-N 3.34Å; K733-F735 PolarHBondContact O-N 3.45Å; F735-C737 VanDerWaalsContact C-N 3.28Å; F735-C737 PolarHBondContact O-N 2.83Å
736	G	97.9	Very high	97.4	Very high	61 Å²	61	59.9 Å²	59.9	63%	0.629	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	31.2	178.2	0	0	0	0	0	113.4	S732 K733 K738	S732-G736 PolarHBondContact O-N 2.94Å; K733-G736 PolarHBondContact O-N 2.88Å; G736-K738 PolarHBondContact O-N 2.88Å
737	C	98.3	Very high	97.2	Very high	12 Å²	12	66.4 Å²	66.4	8%	0.081	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-69.7	125.3	-176.4	-58.6	0	0	0	0	111.3	C104 S732 F735 N744	C104-C737 VanDerWaalsContact CA-SG 3.51Å; C104-C737 HydrophobicContact CB-CB 3.69Å; C104-C737 WeakPolarHBondContact CB-SG 3.39Å; C104-C737 WeakPolarHBondContact SG-CA 3.4Å; C104-C737 WeakPolarHBondContact SG-CB 3.49Å; C104-C737 CovalentContact SG-SG 2.04Å; C104-C737 PolarHBondContact SG-SG 3.41Å; S732-C737 PolarHBondContact O-N 3.48Å; F735-C737 VanDerWaalsContact C-N 3.28Å; F735-C737 PolarHBondContact O-N 2.83Å; C737-N744 HydrophobicContact CB-CB 3.88Å; C737-N744 PolarHBondContact O-ND2 3.07Å
738	K	97	Very high	97.1	Very high	173 Å²	173	66.8 Å²	66.8	75%	0.752	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-60.4	155.2	175.3	-64.2	-179.4	-177.4	174.9	0	110.5	G736 D740 A741 N744	G736-K738 PolarHBondContact O-N 2.88Å; K738-D740 PolarHBondContact O-N 2.95Å; K738-A741 WeakPolarHBondContact O-CB 3.46Å; K738-A741 PolarHBondContact O-N 2.84Å; K738-N744 PolarHBondContact O-ND2 3.35Å; K738-N744 VanDerWaalsContact O-ND2 3.08Å
739	A	93.7	Very high	97.1	Very high	78 Å²	78	66.5 Å²	66.5	65%	0.645	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	138.7	168.5	0	0	0	0	0	109.3	A741	A739-A741 PolarHBondContact O-N 3.45Å
740	D	92.7	Very high	96.7	Very high	89 Å²	89	63.3 Å²	63.3	48%	0.476	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	3.9	176.4	-47	-15	0	0	0	114.8	K738 N744 K746	K738-D740 PolarHBondContact O-N 2.95Å; D740-N744 PolarHBondContact N-O 3.21Å; D740-N744 VanDerWaalsContact N-O 3.12Å; D740-K746 WeakPolarHBondContact OD1-CD 3.44Å; D740-K746 WeakPolarHBondContact OD1-CE 3.29Å; D740-K746 WeakPolarHBondContact OD1-CG 3.21Å; D740-K746 IonicContact OD1-NZ 3.15Å; D740-K746 WeakPolarHBondContact OD2-CE 3.27Å; D740-K746 IonicContact OD2-NZ 2.98Å; D740-K746 PolarHBondContact OD2-NZ 2.89Å; D740-K746 VanDerWaalsContact OD2-NZ 3.14Å
741	A	97.1	Very high	96.6	Very high	18 Å²	18	60.3 Å²	60.3	15%	0.149	32%	0.322	C	S	.	.			trans	-58.4	149.5	164.6	0	0	0	0	0	109.3	C104 K738 A739 M743 N744	C104-A741 HydrophobicContact CB-CB 4.3Å; K738-A741 WeakPolarHBondContact O-CB 3.46Å; K738-A741 PolarHBondContact O-N 2.84Å; A739-A741 PolarHBondContact O-N 3.45Å; A741-M743 PolarHBondContact O-N 2.9Å; A741-M743 VanDerWaalsContact O-N 3.13Å; A741-N744 HydrophobicContact CB-CB 4.33Å; A741-N744 CarbonylContact O-C 3.42Å; A741-N744 WeakPolarHBondContact O-CA 3.42Å; A741-N744 PolarHBondContact O-N 3.35Å
742	P	97.1	Very high	96.4	Very high	69 Å²	69	60.7 Å²	60.7	45%	0.448	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-38.9	-179.3	-31.2	37.3	0	0	0	114.3	H105 N744	H105-P742 WeakPolarHBondContact O-CB 3.27Å; P742-N744 VanDerWaalsContact C-N 3.31Å
743	M	98.3	Very high	96.2	Very high	9 Å²	9	63.4 Å²	63.4	4%	0.044	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	9.4	177	-53.2	-64	90.9	0	0	113.7	P103 C104 F107 I722 I725 F731 S732 A741	P103-M743 WeakPolarHBondContact O-CG 3.48Å; C104-M743 WeakPolarHBondContact O-CB 3.43Å; C104-M743 WeakPolarHBondContact O-CG 3.46Å; C104-M743 PolarHBondContact O-N 2.91Å; F107-M743 HydrophobicContact CB-CG 4.2Å; F107-M743 HydrophobicContact CB-SD 4.08Å; I722-M743 HydrophobicContact CB-SD 4.49Å; I722-M743 HydrophobicContact CG1-CE 4.36Å; I722-M743 HydrophobicContact CG1-SD 4.13Å; I722-M743 HydrophobicContact CG2-CE 3.65Å; I722-M743 HydrophobicContact CG2-SD 4.17Å; I725-M743 HydrophobicContact CD1-CB 3.94Å; I725-M743 HydrophobicContact CD1-CG 3.93Å; I725-M743 HydrophobicContact CD1-SD 3.5Å; I725-M743 VanDerWaalsContact CD1-SD 3.5Å; I725-M743 HydrophobicContact CG1-SD 4.46Å; F731-M743 HydrophobicContact CE1-CB 3.73Å; F731-M743 HydrophobicContact CZ-CB 4.45Å; S732-M743 PolarHBondContact OG-O 2.9Å; A741-M743 PolarHBondContact O-N 2.9Å; A741-M743 VanDerWaalsContact O-N 3.13Å
744	N	98.3	Very high	96.1	Very high	28 Å²	28	58 Å²	58	15%	0.15	32%	0.316	C	S	.	.	S	Bend	trans	-140.8	61.8	173.6	-170.7	23.3	0	0	0	111.5	S732 C737 K738 D740 A741 P742 K748	S732-N744 WeakPolarHBondContact OG-CB 3.36Å; S732-N744 PolarHBondContact OG-OD1 3.05Å; C737-N744 HydrophobicContact CB-CB 3.88Å; C737-N744 PolarHBondContact O-ND2 3.07Å; K738-N744 PolarHBondContact O-ND2 3.35Å; K738-N744 VanDerWaalsContact O-ND2 3.08Å; D740-N744 PolarHBondContact N-O 3.21Å; D740-N744 VanDerWaalsContact N-O 3.12Å; A741-N744 HydrophobicContact CB-CB 4.33Å; A741-N744 CarbonylContact O-C 3.42Å; A741-N744 WeakPolarHBondContact O-CA 3.42Å; A741-N744 PolarHBondContact O-N 3.35Å; P742-N744 VanDerWaalsContact C-N 3.31Å; N744-K748 WeakPolarHBondContact OD1-CE 3.44Å; N744-K748 PolarHBondContact OD1-NZ 2.9Å
745	P	97	Very high	96	Very high	37 Å²	37	58.8 Å²	58.8	24%	0.24	32%	0.323	C	S	.	.			trans	-63	150.3	178	28.8	-36.4	0	0	0	111.4	S726 H747 K748	S726-P745 WeakPolarHBondContact O-CD 3.3Å; P745-H747 VanDerWaalsContact C-N 3.26Å; P745-H747 PolarHBondContact O-N 2.76Å; P745-K748 HydrophobicContact CG-CG 4.43Å
746	K	94.3	Very high	95.9	Very high	176 Å²	176	60.7 Å²	60.7	77%	0.765	34%	0.335	S	S	*	.	S	Bend	trans	-56.7	-43.6	174.3	-64.7	-169.6	-176.2	175.7	0	111.9	D740	D740-K746 WeakPolarHBondContact OD1-CD 3.44Å; D740-K746 WeakPolarHBondContact OD1-CE 3.29Å; D740-K746 WeakPolarHBondContact OD1-CG 3.21Å; D740-K746 IonicContact OD1-NZ 3.15Å; D740-K746 WeakPolarHBondContact OD2-CE 3.27Å; D740-K746 IonicContact OD2-NZ 2.98Å; D740-K746 PolarHBondContact OD2-NZ 2.89Å; D740-K746 VanDerWaalsContact OD2-NZ 3.14Å
747	H	94.7	Very high	95.8	Very high	140 Å²	140	60.7 Å²	60.7	65%	0.648	32%	0.317	S	S	*	.	S	Bend	trans	-96.4	113.4	179.9	-164	63.6	0	0	0	108.5	C626 P745	C626-H747 VanDerWaalsContact SG-CD2 3.54Å; C626-H747 PolarHBondContact SG-NE2 3.03Å; P745-H747 VanDerWaalsContact C-N 3.26Å; P745-H747 PolarHBondContact O-N 2.76Å
748	K	96.9	Very high	95.6	Very high	27 Å²	27	63.9 Å²	63.9	12%	0.117	33%	0.332	C	S	.	.			trans	-110.5	129.9	175.1	-66.2	-178.2	177.8	-91	0	107.6	S726 S728 R729 S732 N744 P745	S726-K748 WeakPolarHBondContact O-CG 3.31Å; S726-K748 PolarHBondContact O-NZ 3.21Å; S728-K748 PolarHBondContact O-NZ 2.73Å; R729-K748 HydrophobicContact CG-CD 3.89Å; S732-K748 PolarHBondContact OG-NZ 2.85Å; S732-K748 VanDerWaalsContact OG-NZ 3.15Å; N744-K748 WeakPolarHBondContact OD1-CE 3.44Å; N744-K748 PolarHBondContact OD1-NZ 2.9Å; P745-K748 HydrophobicContact CG-CG 4.43Å
749	C	96.9	Very high	95.5	Very high	7 Å²	7	56.1 Å²	56.1	5%	0.047	30%	0.302	C	S	.	.			trans	-76.7	129.5	174.4	-55.8	0	0	0	0	109.4	C626 M627 Q630 N727	C626-C749 HydrophobicContact CB-CB 3.79Å; C626-C749 WeakPolarHBondContact CB-SG 3.44Å; C626-C749 PolarHBondContact O-SG 2.94Å; C626-C749 WeakPolarHBondContact SG-CA 3.48Å; C626-C749 WeakPolarHBondContact SG-CB 3.46Å; C626-C749 CovalentContact SG-SG 2.04Å; C626-C749 PolarHBondContact SG-SG 3.28Å; M627-C749 HydrophobicContact CE-CB 4.15Å; M627-C749 HydrophobicContact CG-CB 3.69Å; Q630-C749 PolarHBondContact OE1-SG 3.43Å; Q630-C749 VanDerWaalsContact OE1-SG 3.42Å; N727-C749 WeakPolarHBondContact CB-O 3.49Å; N727-C749 PolarHBondContact OD1-N 3.28Å
750	E	91.1	Very high	95.6	Very high	94 Å²	94	54.5 Å²	54.5	44%	0.439	28%	0.276	S	S	.	.			trans	-138.4	130.8	-179.9	-173	170.3	-171.9	0	0	110.5	Q623 K658	Q623-E750 PolarHBondContact NE2-O 3.27Å; K658-E750 IonicContact NZ-OE1 3.51Å; K658-E750 PolarHBondContact NZ-OE1 3.43Å
751	L	94.8	Very high	95.9	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.037	26%	0.259	C	S	.	.			trans	-128.8	-71.9	-177.7	-174.9	68.6	0	0	0	111.5	W466 F620 Q623 T624 M627 I651	W466-L751 HydrophobicContact CH2-CD1 4.38Å; W466-L751 HydrophobicContact CZ2-CD1 3.68Å; W466-L751 HydrophobicContact CZ2-CG 4.31Å; W466-L751 PolarHBondContact NE1-O 2.97Å; F620-L751 HydrophobicContact CD2-CD1 3.71Å; F620-L751 HydrophobicContact CD2-CD2 4.33Å; F620-L751 HydrophobicContact CD2-CG 4.46Å; F620-L751 HydrophobicContact CE2-CD1 3.98Å; F620-L751 HydrophobicContact CE2-CD2 3.73Å; F620-L751 HydrophobicContact CE2-CG 4.3Å; F620-L751 HydrophobicContact CG-CD1 4.48Å; F620-L751 HydrophobicContact CZ-CD2 4.33Å; Q623-L751 HydrophobicContact CB-CD1 3.59Å; Q623-L751 HydrophobicContact CG-CD1 4.28Å; T624-L751 HydrophobicContact CG2-CD1 4.21Å; T624-L751 HydrophobicContact CG2-CD2 3.87Å; M627-L751 HydrophobicContact CE-CB 4.49Å; I651-L751 HydrophobicContact CB-CD2 4.34Å; I651-L751 HydrophobicContact CD1-CD2 4.09Å; I651-L751 HydrophobicContact CG1-CD2 3.88Å; I651-L751 HydrophobicContact CG2-CD2 3.59Å
752	W	94	Very high	95.8	Very high	7 Å²	7	54.6 Å²	54.6	3%	0.027	27%	0.269	C	S	.	.			trans	-93.9	0	-176.5	-62.6	119.9	0	0	0	113.8	F457 S460 L461 W466 M467 T592 F595 W612 F620 K658	F457-W752 HydrophobicContact CE2-CB 3.89Å; F457-W752 HydrophobicContact CE2-CD2 4.32Å; F457-W752 HydrophobicContact CE2-CE3 4.38Å; F457-W752 HydrophobicContact CE2-CG 4.09Å; F457-W752 HydrophobicContact CZ-CD2 4.32Å; F457-W752 HydrophobicContact CZ-CE3 4.08Å; S460-W752 WeakPolarHBondContact CB-OXT 3.22Å; S460-W752 PolarHBondContact OG-OXT 3.34Å; L461-W752 HydrophobicContact CD2-CE3 4.14Å; L461-W752 HydrophobicContact CD2-CZ3 4.15Å; W466-W752 AromaticContact CH2-CH2 3.7Å; W466-W752 HydrophobicContact CH2-CH2 3.7Å; W466-W752 HydrophobicContact CH2-CZ2 4.26Å; W466-W752 HydrophobicContact CH2-CZ3 4.1Å; W466-W752 HydrophobicContact CZ2-CE3 4.33Å; W466-W752 AromaticContact CZ2-CH2 3.82Å; W466-W752 HydrophobicContact CZ2-CH2 3.82Å; W466-W752 HydrophobicContact CZ2-CZ2 4.26Å; W466-W752 AromaticContact CZ2-CZ3 3.87Å; W466-W752 HydrophobicContact CZ2-CZ3 3.87Å; M467-W752 HydrophobicContact CE-CZ3 3.93Å; T592-W752 VanDerWaalsContact CG2-CD1 3.44Å; T592-W752 HydrophobicContact CG2-CG 4.27Å; F595-W752 HydrophobicContact CB-CD2 4.21Å; F595-W752 HydrophobicContact CB-CH2 3.85Å; F595-W752 HydrophobicContact CB-CZ2 3.36Å; F595-W752 HydrophobicContact CB-CZ3 4.44Å; F595-W752 HydrophobicContact CD1-CH2 4.45Å; F595-W752 HydrophobicContact CG-CH2 4.45Å; F595-W752 HydrophobicContact CG-CZ2 4.39Å; F595-W752 VanDerWaalsContact O-CE2 3.29Å; F595-W752 WeakPolarHBondContact O-CZ2 3.14Å; F595-W752 PolarHBondContact O-NE1 2.93Å; F595-W752 VanDerWaalsContact O-NE1 3.1Å; W612-W752 AromaticContact CH2-CH2 3.54Å; W612-W752 HydrophobicContact CH2-CH2 3.54Å; W612-W752 AromaticContact CH2-CZ2 3.91Å; W612-W752 HydrophobicContact CH2-CZ2 3.91Å; W612-W752 AromaticContact CZ2-CH2 3.85Å; W612-W752 HydrophobicContact CZ2-CH2 3.85Å; W612-W752 HydrophobicContact CZ2-CZ2 4.44Å; F620-W752 HydrophobicContact CD2-CZ2 4Å; F620-W752 AromaticContact CE2-CZ2 3.7Å; F620-W752 HydrophobicContact CE2-CZ2 3.7Å; K658-W752 WeakPolarHBondContact CD-O 3.41Å; K658-W752 WeakPolarHBondContact CE-O 3.28Å; K658-W752 PolarHBondContact NZ-O 3.49Å

Retrieved 752 of 752 residues in 228.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).