A0A077ZIY8_TRITR Loading...

Lamin B1

AlphaFold DB , UniProt , Accession A0A077ZIY8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 543 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.7	Very low	48.7	Very low	246 Å²	246	165.2 Å²	165.2	100%	1.212	83%	0.832	S	S	*	*				0	168.5	0	-75	-175.9	171.2	0	0	109.5
2	S	44.7	Very low	48.7	Very low	108 Å²	108	165.7 Å²	165.7	76%	0.755	84%	0.836	S	S	*	*			trans	67.9	99	-180	-161.5	0	0	0	0	115.9
3	Q	44.9	Very low	48.4	Very low	197 Å²	197	161.5 Å²	161.5	92%	0.921	83%	0.831	S	S	*	*			trans	-80.6	125.4	155.9	-70	178.3	-13.4	0	0	108.3
4	R	49.5	Very low	47.7	Very low	226 Å²	226	162.9 Å²	162.9	85%	0.853	83%	0.829	S	S	*	*			trans	-92.2	97.9	171.4	-81.1	-176.5	169	178	-3.5	110.2	V6	R4-V6 PolarHBondContact O-N 3.14Å
5	S	51.8	Low	47.7	Very low	95 Å²	95	160.2 Å²	160.2	66%	0.664	82%	0.823	S	S	*	*			trans	-82	107.9	169.6	-174.5	0	0	0	0	110.2	H7	S5-H7 PolarHBondContact OG-CE1 3.5Å; S5-H7 VanDerWaalsContact OG-CE1 3.28Å; S5-H7 PolarHBondContact OG-ND1 3.07Å
6	V	55.8	Low	47.3	Very low	126 Å²	126	160.8 Å²	160.8	76%	0.764	82%	0.821	S	S	*	*			trans	-97.8	98.5	-179	-176.9	0	0	0	0	109.6	R4	R4-V6 PolarHBondContact O-N 3.14Å
7	H	53.1	Low	47.3	Very low	162 Å²	162	158.9 Å²	158.9	75%	0.75	82%	0.819	S	S	*	*			trans	-79.2	125.9	171.3	-70.3	67	0	0	0	109.5	S5	S5-H7 PolarHBondContact OG-CE1 3.5Å; S5-H7 VanDerWaalsContact OG-CE1 3.28Å; S5-H7 PolarHBondContact OG-ND1 3.07Å
8	R	54.3	Low	46.8	Very low	226 Å²	226	164.1 Å²	164.1	85%	0.853	83%	0.826	S	S	*	*			trans	-121.2	99.5	177.8	-168.5	179.8	-170.1	-177	4	110.3
9	T	48.3	Very low	46.4	Very low	132 Å²	132	159.4 Å²	159.4	81%	0.81	82%	0.824	S	S	*	*			trans	-90.5	126.4	174.3	-57.6	0	0	0	0	109.9
10	T	51.5	Low	46	Very low	118 Å²	118	159.7 Å²	159.7	72%	0.724	83%	0.827	S	S	*	*			trans	-129.4	137.6	168.8	-44.5	0	0	0	0	108
11	Q	42.6	Very low	45.7	Very low	181 Å²	181	157.7 Å²	157.7	85%	0.846	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-86.4	156.9	-169.3	-67.1	-177.4	-14.3	0	0	113.6
12	I	48.4	Very low	45.6	Very low	171 Å²	171	151.7 Å²	151.7	88%	0.877	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-94.6	125.8	174	-61.1	169	0	0	0	108.3
13	S	44	Very low	46	Very low	111 Å²	111	152.4 Å²	152.4	78%	0.776	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-102.3	125.7	171.7	45.3	0	0	0	0	110.8
14	F	39.3	Very low	45.7	Very low	182 Å²	182	150.9 Å²	150.9	80%	0.798	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-101.5	135.1	177.2	-172.9	-96.7	0	0	0	109.7	Q16	F14-Q16 HydrophobicContact CE1-CB 4.36Å
15	V	46.9	Very low	45	Very low	122 Å²	122	149.5 Å²	149.5	74%	0.739	81%	0.809	S	S	*	*			trans	-118	133.8	-177.8	179	0	0	0	0	109.4
16	Q	42	Very low	44.2	Very low	170 Å²	170	149.8 Å²	149.8	79%	0.794	82%	0.817	S	S	*	*			trans	-131.1	134.1	-176.2	-176.5	176	-11	0	0	110.3	F14	F14-Q16 HydrophobicContact CE1-CB 4.36Å
17	T	48.1	Very low	43.4	Very low	128 Å²	128	149.4 Å²	149.4	79%	0.785	82%	0.82	S	S	*	*			trans	-117	170.7	-174.1	51.6	0	0	0	0	112.3
18	R	37.3	Very low	42.6	Very low	252 Å²	252	149.8 Å²	149.8	95%	0.951	83%	0.827	S	S	*	*			trans	-135.9	148.2	-176.2	-71.8	179.8	168.1	-170.8	-3.7	111.1
19	G	38.8	Very low	41.6	Very low	76 Å²	76	147.9 Å²	147.9	78%	0.784	83%	0.828	S	S	*	*			trans	-89.8	-158.2	-167.3	0	0	0	0	0	118.5
20	D	39.8	Very low	40.7	Very low	164 Å²	164	147 Å²	147	88%	0.877	83%	0.827	S	S	*	*			trans	-168.8	155	175.5	-116.9	-27.8	0	0	0	112.8
21	S	39.2	Very low	39.7	Very low	119 Å²	119	146.1 Å²	146.1	83%	0.832	83%	0.832	S	S	*	*			trans	174.4	120.6	165.1	-80.7	0	0	0	0	117.1
22	P	38	Very low	39.4	Very low	120 Å²	120	144.3 Å²	144.3	78%	0.779	83%	0.833	S	S	*	*			trans	-146.2	-162.9	140.8	42.7	-27	0	0	0	112
23	P	51.5	Low	38.5	Very low	123 Å²	123	139.9 Å²	139.9	80%	0.799	82%	0.822	S	S	*	*			cis	-132.3	-138.1	-8.8	43.8	-23.6	0	0	0	113.7
24	L	38.9	Very low	37.8	Very low	165 Å²	165	141.1 Å²	141.1	86%	0.864	82%	0.824	S	S	*	*			trans	-146.8	156.8	173.5	-74.1	165.7	0	0	0	109.4
25	E	35.3	Very low	37.7	Very low	197 Å²	197	137.9 Å²	137.9	92%	0.921	83%	0.825	S	S	*	*			trans	175.2	167.2	141.7	-108.7	176.8	-164.2	0	0	118.8
26	A	35.7	Very low	36.8	Very low	100 Å²	100	138 Å²	138	83%	0.826	83%	0.831	S	S	*	*			trans	80.7	157.2	151.2	0	0	0	0	0	123.1
27	S	38.2	Very low	36.4	Very low	118 Å²	118	132.8 Å²	132.8	83%	0.825	82%	0.823	S	S	*	*			trans	-161.6	159.3	-164.3	55.9	0	0	0	0	112.3
28	D	35.8	Very low	35.3	Very low	170 Å²	170	134.5 Å²	134.5	91%	0.909	82%	0.824	S	S	*	*			trans	-153.2	158.4	173.5	-133	-27.3	0	0	0	114.2
29	E	32.9	Very low	34.9	Very low	186 Å²	186	128.5 Å²	128.5	87%	0.869	82%	0.816	S	S	*	*			trans	-125.5	144.5	-172.5	-68.4	-168.8	120.8	0	0	115.1
30	S	30.2	Very low	34.4	Very low	113 Å²	113	130 Å²	130	79%	0.79	81%	0.814	S	S	*	*			trans	-166.3	138	146.6	48.1	0	0	0	0	110.7
31	A	31	Very low	34.4	Very low	101 Å²	101	127.5 Å²	127.5	84%	0.835	81%	0.807	S	S	*	*			cis	96.3	68	19.3	0	0	0	0	0	116.1
32	V	36.8	Very low	33.9	Very low	142 Å²	142	128.4 Å²	128.4	86%	0.861	80%	0.801	S	S	*	*			trans	-149.6	156.6	171.3	-169.7	0	0	0	0	110.1
33	A	29.2	Very low	33.9	Very low	78 Å²	78	128.7 Å²	128.7	65%	0.645	80%	0.801	S	S	*	*				-168.4	169.1	-56.3	0	0	0	0	0	109.3
34	V	30	Very low	33.7	Very low	137 Å²	137	128.6 Å²	128.6	83%	0.83	80%	0.801	S	S	*	*			trans	51.8	111.9	160.5	-172.3	0	0	0	0	119.6
35	S	36.2	Very low	34	Very low	115 Å²	115	126.3 Å²	126.3	80%	0.804	79%	0.794	S	S	*	*				-175.5	156.2	119.2	39.1	0	0	0	0	112.2
36	S	27	Very low	34.7	Very low	124 Å²	124	124.6 Å²	124.6	87%	0.867	78%	0.779	S	S	*	*			trans	-145.3	152.6	179.8	-63.1	0	0	0	0	110.6
37	G	33.5	Very low	35.5	Very low	61 Å²	61	126.6 Å²	126.6	63%	0.629	77%	0.773	S	S	*	*			trans	134.6	82.8	-176.3	0	0	0	0	0	111.4
38	M	25.5	Very low	36.3	Very low	163 Å²	163	125 Å²	125	80%	0.803	76%	0.758	S	S	*	*				74.2	127.6	81.6	-82.8	90.6	88.2	0	0	116.7
39	T	29.2	Very low	37.4	Very low	127 Å²	127	126.3 Å²	126.3	78%	0.779	75%	0.75	S	S	*	*			trans	59.8	94.7	149.1	56.3	0	0	0	0	120.5
40	S	29.4	Very low	39	Very low	108 Å²	108	122.2 Å²	122.2	76%	0.755	73%	0.734	S	S	*	*				176.4	153.5	113.9	-81.4	0	0	0	0	112.3
41	P	38.2	Very low	40.9	Very low	110 Å²	110	122.3 Å²	122.3	71%	0.714	72%	0.722	S	S	*	*			trans	-73.9	157.9	-159.1	28.2	-36	0	0	0	114.9
42	L	30.2	Very low	42.9	Very low	138 Å²	138	122.3 Å²	122.3	72%	0.723	71%	0.705	S	S	*	*			cis	75.7	75.2	21.6	-60.6	-178.8	0	0	0	116.9
43	T	38.1	Very low	44.9	Very low	126 Å²	126	122.6 Å²	122.6	77%	0.773	69%	0.694	S	S	*	*			trans	-131.3	158.6	142.3	23	0	0	0	0	109.2	T45	T43-T45 PolarHBondContact O-N 2.86Å
44	P	47.1	Very low	47.2	Very low	122 Å²	122	125.9 Å²	125.9	79%	0.792	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	86.1	-150.1	32	-37.1	0	0	0	115.4
45	T	44.8	Very low	49.6	Very low	117 Å²	117	124.3 Å²	124.3	72%	0.718	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.8	-9.1	153.6	-21.3	0	0	0	0	113.7	T43 M47	T43-T45 PolarHBondContact O-N 2.86Å; T45-M47 PolarHBondContact O-N 3.18Å
46	R	49.9	Very low	51.5	Low	161 Å²	161	124.2 Å²	124.2	61%	0.608	66%	0.664	S	S	*	*	H	α-helix	trans	-77.3	-17.5	-176.2	-168.3	173.1	178.5	-178.8	-0.8	114.2	T48 R49 L50	R46-T48 VanDerWaalsContact C-N 3.31Å; R46-T48 PolarHBondContact O-N 3.42Å; R46-R49 PolarHBondContact O-N 3.08Å; R46-L50 HydrophobicContact CG-CD1 4.26Å; R46-L50 HydrophobicContact CG-CG 4.48Å; R46-L50 PolarHBondContact O-N 3.39Å; R46-L50 VanDerWaalsContact O-N 3.08Å
47	M	51.8	Low	54.1	Low	142 Å²	142	123.5 Å²	123.5	70%	0.7	65%	0.647	S	S	*	*	H	α-helix	trans	-61	-40.2	179.4	-67.3	-163.1	75.5	0	0	111.7	T45 R49 L50 Q51	T45-M47 PolarHBondContact O-N 3.18Å; M47-R49 PolarHBondContact O-N 3.33Å; M47-L50 PolarHBondContact O-N 3.38Å; M47-Q51 VanDerWaalsContact O-CB 3.23Å; M47-Q51 WeakPolarHBondContact O-CB 3.28Å; M47-Q51 PolarHBondContact O-N 3.45Å
48	T	55.8	Low	56.4	Low	84 Å²	84	125.5 Å²	125.5	52%	0.515	64%	0.64	S	S	.	*	H	α-helix	trans	-55.2	-51	175.8	-37.7	0	0	0	0	111.8	R46 L50 Q51 E52	R46-T48 VanDerWaalsContact C-N 3.31Å; R46-T48 PolarHBondContact O-N 3.42Å; T48-L50 PolarHBondContact O-N 2.83Å; T48-Q51 PolarHBondContact O-N 3.26Å; T48-E52 WeakPolarHBondContact O-CG 3.36Å; T48-E52 PolarHBondContact O-N 3.04Å
49	R	58.8	Low	59.2	Low	197 Å²	197	122.8 Å²	122.8	74%	0.743	63%	0.628	S	S	*	*	H	α-helix	trans	-67.8	-31.6	179.3	-74.5	-174.3	175.7	176.3	-0.4	114	R46 M47 K53	R46-R49 PolarHBondContact O-N 3.08Å; M47-R49 PolarHBondContact O-N 3.33Å; R49-K53 WeakPolarHBondContact O-CB 3.39Å; R49-K53 PolarHBondContact O-N 2.95Å
50	L	66.6	Low	61.8	Low	101 Å²	101	121.6 Å²	121.6	53%	0.529	62%	0.617	S	S	.	*	H	α-helix	trans	-70.4	-39.7	173.4	-81.1	166.8	0	0	0	111.1	R46 M47 T48 K53 Y54	R46-L50 HydrophobicContact CG-CD1 4.26Å; R46-L50 HydrophobicContact CG-CG 4.48Å; R46-L50 PolarHBondContact O-N 3.39Å; R46-L50 VanDerWaalsContact O-N 3.08Å; M47-L50 PolarHBondContact O-N 3.38Å; T48-L50 PolarHBondContact O-N 2.83Å; L50-K53 PolarHBondContact O-N 2.91Å; L50-Y54 VanDerWaalsContact O-CB 3.26Å; L50-Y54 WeakPolarHBondContact O-CB 3.44Å; L50-Y54 PolarHBondContact O-N 2.88Å
51	Q	70.2	Confident	64.3	Low	114 Å²	114	120.2 Å²	120.2	53%	0.533	60%	0.601	S	S	.	*	H	α-helix	trans	-69.1	-43.5	178.6	-168.5	167.3	-3.5	0	0	111.5	M47 T48 Y54 Q55	M47-Q51 VanDerWaalsContact O-CB 3.23Å; M47-Q51 WeakPolarHBondContact O-CB 3.28Å; M47-Q51 PolarHBondContact O-N 3.45Å; T48-Q51 PolarHBondContact O-N 3.26Å; Q51-Y54 PolarHBondContact O-N 3.43Å; Q51-Q55 WeakPolarHBondContact O-CB 3.41Å; Q51-Q55 WeakPolarHBondContact O-CG 3.47Å; Q51-Q55 PolarHBondContact O-N 3.03Å
52	E	72.7	Confident	66.6	Low	102 Å²	102	122.9 Å²	122.9	48%	0.477	60%	0.597	S	S	.	*	H	α-helix	trans	-59.6	-47.3	170.5	-73.6	174.7	134.4	0	0	112	T48 Y54 Q55 L56	T48-E52 WeakPolarHBondContact O-CG 3.36Å; T48-E52 PolarHBondContact O-N 3.04Å; E52-Y54 PolarHBondContact O-N 3.4Å; E52-Q55 PolarHBondContact O-N 2.74Å; E52-L56 WeakPolarHBondContact O-CB 3.47Å; E52-L56 WeakPolarHBondContact O-CG 3.33Å; E52-L56 PolarHBondContact O-N 3.31Å
53	K	77.8	Confident	69.3	Low	148 Å²	148	120.4 Å²	120.4	64%	0.643	58%	0.584	S	S	*	*	H	α-helix	trans	-65.7	-39.6	179.8	-166.4	-173.7	178.5	-167.1	0	111.7	R49 L50 L56 Q57	R49-K53 WeakPolarHBondContact O-CB 3.39Å; R49-K53 PolarHBondContact O-N 2.95Å; L50-K53 PolarHBondContact O-N 2.91Å; K53-L56 PolarHBondContact O-N 3.29Å; K53-Q57 WeakPolarHBondContact O-CB 3.35Å; K53-Q57 PolarHBondContact O-N 3.32Å
54	Y	79.2	Confident	71.6	Confident	147 Å²	147	116.5 Å²	116.5	58%	0.576	57%	0.565	S	S	*	*	H	α-helix	trans	-64.5	-42.9	175	-177.1	-96.6	0	0	0	111.4	L50 Q51 E52 Q57 Q58	L50-Y54 VanDerWaalsContact O-CB 3.26Å; L50-Y54 WeakPolarHBondContact O-CB 3.44Å; L50-Y54 PolarHBondContact O-N 2.88Å; Q51-Y54 PolarHBondContact O-N 3.43Å; E52-Y54 PolarHBondContact O-N 3.4Å; Y54-Q57 PolarHBondContact O-N 2.9Å; Y54-Q58 WeakPolarHBondContact O-CB 3.38Å; Y54-Q58 PolarHBondContact O-N 2.87Å; Y54-Q58 PolarHBondContact OH-NE2 3.39Å
55	Q	79.3	Confident	73.6	Confident	104 Å²	104	117.1 Å²	117.1	49%	0.486	56%	0.557	S	S	.	*	H	α-helix	trans	-62.4	-45.9	174.3	-75.6	170.2	-5.8	0	0	112.1	Q51 E52 Q58 L59	Q51-Q55 WeakPolarHBondContact O-CB 3.41Å; Q51-Q55 WeakPolarHBondContact O-CG 3.47Å; Q51-Q55 PolarHBondContact O-N 3.03Å; E52-Q55 PolarHBondContact O-N 2.74Å; Q55-Q58 PolarHBondContact O-N 2.63Å; Q55-L59 WeakPolarHBondContact O-CB 3.31Å; Q55-L59 PolarHBondContact O-N 3.46Å
56	L	76.2	Confident	75.8	Confident	112 Å²	112	118.8 Å²	118.8	59%	0.586	55%	0.551	S	S	*	*	H	α-helix	trans	-63.4	-40.4	176.7	-78.5	168.3	0	0	0	112.4	E52 K53 N60	E52-L56 WeakPolarHBondContact O-CB 3.47Å; E52-L56 WeakPolarHBondContact O-CG 3.33Å; E52-L56 PolarHBondContact O-N 3.31Å; K53-L56 PolarHBondContact O-N 3.29Å; L56-N60 WeakPolarHBondContact O-CB 3.39Å; L56-N60 PolarHBondContact O-N 2.89Å
57	Q	81.7	Confident	77.7	Confident	109 Å²	109	115 Å²	115	51%	0.509	54%	0.542	S	S	.	.	H	α-helix	trans	-63.4	-53.8	173.5	177.7	172.2	-7	0	0	110.7	K53 Y54 L59 N60 D61	K53-Q57 WeakPolarHBondContact O-CB 3.35Å; K53-Q57 PolarHBondContact O-N 3.32Å; Y54-Q57 PolarHBondContact O-N 2.9Å; Q57-L59 PolarHBondContact O-N 2.85Å; Q57-N60 CarbonylContact O-C 3.57Å; Q57-N60 PolarHBondContact O-N 3.05Å; Q57-N60 VanDerWaalsContact O-N 3.07Å; Q57-D61 WeakPolarHBondContact CG-OD2 3.3Å; Q57-D61 VanDerWaalsContact O-CG 3.24Å; Q57-D61 PolarHBondContact O-N 3.44Å
58	Q	82.3	Confident	79.5	Confident	104 Å²	104	112 Å²	112	49%	0.486	53%	0.529	S	S	.	.	H	α-helix	trans	-61.5	-29.8	-179.2	-171.3	172.7	61.6	0	0	112.7	Y54 Q55 R62	Y54-Q58 WeakPolarHBondContact O-CB 3.38Å; Y54-Q58 PolarHBondContact O-N 2.87Å; Y54-Q58 PolarHBondContact OH-NE2 3.39Å; Q55-Q58 PolarHBondContact O-N 2.63Å; Q58-R62 VanDerWaalsContact O-CB 3.23Å; Q58-R62 WeakPolarHBondContact O-CB 3.34Å; Q58-R62 PolarHBondContact O-N 2.64Å; Q58-R62 VanDerWaalsContact O-N 3.1Å
59	L	83.8	Confident	81.2	Confident	105 Å²	105	115.9 Å²	115.9	55%	0.55	53%	0.534	S	S	.	.	H	α-helix	trans	-77.8	-37.6	174.6	-162.8	154.5	0	0	0	111.8	Q55 Q57 R62 L63	Q55-L59 WeakPolarHBondContact O-CB 3.31Å; Q55-L59 PolarHBondContact O-N 3.46Å; Q57-L59 PolarHBondContact O-N 2.85Å; L59-R62 PolarHBondContact O-N 3.42Å; L59-L63 HydrophobicContact CD2-CD1 3.84Å; L59-L63 HydrophobicContact CD2-CG 4.39Å; L59-L63 WeakPolarHBondContact O-CB 3.46Å; L59-L63 PolarHBondContact O-N 3.47Å
60	N	84.1	Confident	82.9	Confident	102 Å²	102	111.9 Å²	111.9	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-66	-42.3	170.4	-87.2	-7.9	0	0	0	112.5	L56 Q57 R62 L63 A64	L56-N60 WeakPolarHBondContact O-CB 3.39Å; L56-N60 PolarHBondContact O-N 2.89Å; Q57-N60 CarbonylContact O-C 3.57Å; Q57-N60 PolarHBondContact O-N 3.05Å; Q57-N60 VanDerWaalsContact O-N 3.07Å; N60-R62 VanDerWaalsContact C-N 3.27Å; N60-R62 PolarHBondContact O-N 2.77Å; N60-L63 CarbonylContact O-C 3.58Å; N60-L63 WeakPolarHBondContact O-CB 3.29Å; N60-L63 PolarHBondContact O-N 3.37Å; N60-A64 WeakPolarHBondContact O-CB 3.41Å; N60-A64 PolarHBondContact O-N 2.92Å
61	D	82.6	Confident	84.1	Confident	79 Å²	79	113.9 Å²	113.9	42%	0.422	53%	0.526	S	S	.	.	H	α-helix	trans	-63.9	-36.9	176.5	-65.2	-26.2	0	0	0	110.5	Q57 A64 Q65	Q57-D61 WeakPolarHBondContact CG-OD2 3.3Å; Q57-D61 VanDerWaalsContact O-CG 3.24Å; Q57-D61 PolarHBondContact O-N 3.44Å; D61-A64 PolarHBondContact O-N 3.43Å; D61-Q65 VanDerWaalsContact O-CG 3.28Å; D61-Q65 WeakPolarHBondContact O-CG 3.29Å; D61-Q65 PolarHBondContact O-N 2.88Å
62	R	86.4	Confident	85.1	Confident	167 Å²	167	112 Å²	112	63%	0.63	52%	0.522	S	S	*	.	H	α-helix	trans	-70.3	-36.7	173.3	-161.9	175.8	-162.6	173.9	5	112.4	Q58 L59 N60 Y66	Q58-R62 VanDerWaalsContact O-CB 3.23Å; Q58-R62 WeakPolarHBondContact O-CB 3.34Å; Q58-R62 PolarHBondContact O-N 2.64Å; Q58-R62 VanDerWaalsContact O-N 3.1Å; L59-R62 PolarHBondContact O-N 3.42Å; N60-R62 VanDerWaalsContact C-N 3.27Å; N60-R62 PolarHBondContact O-N 2.77Å; R62-Y66 HydrophobicContact CG-CD2 4.33Å; R62-Y66 HydrophobicContact CG-CE2 4.33Å; R62-Y66 VanDerWaalsContact O-CD2 3.29Å; R62-Y66 WeakPolarHBondContact O-CD2 3.39Å; R62-Y66 PolarHBondContact O-N 3.36Å
63	L	86.8	Confident	86.1	Confident	86 Å²	86	111.2 Å²	111.2	45%	0.45	52%	0.521	S	S	.	.	H	α-helix	trans	-64.9	-42.2	170.7	-90.3	168	0	0	0	111.7	L59 N60 Y66 I67	L59-L63 HydrophobicContact CD2-CD1 3.84Å; L59-L63 HydrophobicContact CD2-CG 4.39Å; L59-L63 WeakPolarHBondContact O-CB 3.46Å; L59-L63 PolarHBondContact O-N 3.47Å; N60-L63 CarbonylContact O-C 3.58Å; N60-L63 WeakPolarHBondContact O-CB 3.29Å; N60-L63 PolarHBondContact O-N 3.37Å; L63-Y66 CarbonylContact O-C 3.58Å; L63-Y66 PolarHBondContact O-N 3.08Å; L63-I67 WeakPolarHBondContact O-CB 3.38Å; L63-I67 VanDerWaalsContact O-CG1 3.28Å; L63-I67 WeakPolarHBondContact O-CG1 3.43Å; L63-I67 PolarHBondContact O-N 3.41Å
64	A	86	Confident	86.8	Confident	43 Å²	43	108.5 Å²	108.5	36%	0.355	51%	0.51	S	S	.	.	H	α-helix	trans	-61.3	-47	175.4	0	0	0	0	0	110.8	N60 D61 Y66 I67 D68	N60-A64 WeakPolarHBondContact O-CB 3.41Å; N60-A64 PolarHBondContact O-N 2.92Å; D61-A64 PolarHBondContact O-N 3.43Å; A64-Y66 VanDerWaalsContact C-N 3.3Å; A64-Y66 PolarHBondContact O-N 3.18Å; A64-I67 PolarHBondContact O-N 2.83Å; A64-I67 VanDerWaalsContact O-N 3.14Å; A64-D68 PolarHBondContact O-N 3.21Å
65	Q	88.4	Confident	87.5	Confident	135 Å²	135	105.4 Å²	105.4	63%	0.631	51%	0.507	S	S	*	.	H	α-helix	trans	-58.3	-39.5	172.3	-72.4	168.4	39.4	0	0	112.4	D61 R69	D61-Q65 VanDerWaalsContact O-CG 3.28Å; D61-Q65 WeakPolarHBondContact O-CG 3.29Å; D61-Q65 PolarHBondContact O-N 2.88Å; Q65-R69 WeakPolarHBondContact O-CB 3.41Å; Q65-R69 PolarHBondContact O-N 3.42Å
66	Y	92	Very high	88.1	Confident	152 Å²	152	103.8 Å²	103.8	60%	0.596	50%	0.499	S	S	*	.	H	α-helix	trans	-68.6	-37.3	174.2	-93	-66.4	0	0	0	113.3	R62 L63 A64 R69 M70	R62-Y66 HydrophobicContact CG-CD2 4.33Å; R62-Y66 HydrophobicContact CG-CE2 4.33Å; R62-Y66 VanDerWaalsContact O-CD2 3.29Å; R62-Y66 WeakPolarHBondContact O-CD2 3.39Å; R62-Y66 PolarHBondContact O-N 3.36Å; L63-Y66 CarbonylContact O-C 3.58Å; L63-Y66 PolarHBondContact O-N 3.08Å; A64-Y66 VanDerWaalsContact C-N 3.3Å; A64-Y66 PolarHBondContact O-N 3.18Å; Y66-R69 PolarHBondContact O-N 2.91Å; Y66-M70 WeakPolarHBondContact O-CB 3.49Å; Y66-M70 PolarHBondContact O-N 2.84Å
67	I	90.2	Very high	88.9	Confident	83 Å²	83	103.7 Å²	103.7	43%	0.426	50%	0.5	S	S	.	.	H	α-helix	trans	-68	-45	176.9	-72.3	163.5	0	0	0	110.4	L63 A64 R69 M70 R71	L63-I67 WeakPolarHBondContact O-CB 3.38Å; L63-I67 VanDerWaalsContact O-CG1 3.28Å; L63-I67 WeakPolarHBondContact O-CG1 3.43Å; L63-I67 PolarHBondContact O-N 3.41Å; A64-I67 PolarHBondContact O-N 2.83Å; A64-I67 VanDerWaalsContact O-N 3.14Å; I67-R69 VanDerWaalsContact C-N 3.33Å; I67-M70 PolarHBondContact O-N 2.99Å; I67-R71 WeakPolarHBondContact O-CG 3.35Å; I67-R71 PolarHBondContact O-N 2.87Å
68	D	89.8	Confident	89.5	Confident	79 Å²	79	104.4 Å²	104.4	42%	0.422	50%	0.503	S	S	.	.	H	α-helix	trans	-73.1	-27.3	176.7	-68.1	-30.9	0	0	0	111.9	A64 R71 T72	A64-D68 PolarHBondContact O-N 3.21Å; D68-R71 VanDerWaalsContact OD1-CD 3.29Å; D68-R71 WeakPolarHBondContact OD1-CD 3.43Å; D68-R71 IonicContact OD1-CZ 3.71Å; D68-R71 IonicContact OD1-NE 3.38Å; D68-R71 IonicContact OD1-NH1 2.74Å; D68-R71 PolarHBondContact OD1-NH1 3.45Å; D68-T72 WeakPolarHBondContact O-CB 3.41Å; D68-T72 WeakPolarHBondContact O-CG2 3.49Å; D68-T72 PolarHBondContact O-N 3.1Å; D68-T72 PolarHBondContact O-OG1 3.22Å
69	R	91.5	Very high	90.1	Very high	165 Å²	165	105.6 Å²	105.6	62%	0.623	50%	0.503	S	S	*	.	H	α-helix	trans	-68.1	-38.4	166.5	-167.7	63.6	175.8	-160.5	3.2	112.2	Q65 Y66 I67 T72 L73	Q65-R69 WeakPolarHBondContact O-CB 3.41Å; Q65-R69 PolarHBondContact O-N 3.42Å; Y66-R69 PolarHBondContact O-N 2.91Å; I67-R69 VanDerWaalsContact C-N 3.33Å; R69-T72 WeakPolarHBondContact CA-OG1 3.41Å; R69-T72 PolarHBondContact O-OG1 3.29Å; R69-L73 HydrophobicContact CG-CD1 4.18Å; R69-L73 WeakPolarHBondContact O-CB 3.07Å; R69-L73 WeakPolarHBondContact O-CD1 3.43Å; R69-L73 WeakPolarHBondContact O-CG 3.41Å; R69-L73 PolarHBondContact O-N 2.89Å
70	M	93.7	Very high	90.6	Very high	113 Å²	113	103.8 Å²	103.8	56%	0.557	49%	0.494	S	S	*	.	H	α-helix	trans	-64.9	-48.7	171.5	-84.3	-163.4	66	0	0	111.2	Y66 I67 T72 L73 E74	Y66-M70 WeakPolarHBondContact O-CB 3.49Å; Y66-M70 PolarHBondContact O-N 2.84Å; I67-M70 PolarHBondContact O-N 2.99Å; M70-T72 VanDerWaalsContact C-N 3.34Å; M70-T72 PolarHBondContact O-N 3.42Å; M70-L73 CarbonylContact O-C 3.58Å; M70-L73 WeakPolarHBondContact O-CA 3.39Å; M70-L73 PolarHBondContact O-N 2.88Å; M70-L73 VanDerWaalsContact O-N 3.09Å; M70-E74 WeakPolarHBondContact O-CB 3.19Å; M70-E74 VanDerWaalsContact O-CG 3.31Å; M70-E74 WeakPolarHBondContact O-CG 3.48Å; M70-E74 PolarHBondContact O-N 2.85Å
71	R	91.5	Very high	91.1	Very high	143 Å²	143	100.4 Å²	100.4	54%	0.54	48%	0.483	S	S	.	.	H	α-helix	trans	-58.3	-42.5	177.4	-72.7	162.5	168.4	174.3	-5.1	112.8	I67 D68 E74 T75	I67-R71 WeakPolarHBondContact O-CG 3.35Å; I67-R71 PolarHBondContact O-N 2.87Å; D68-R71 VanDerWaalsContact OD1-CD 3.29Å; D68-R71 WeakPolarHBondContact OD1-CD 3.43Å; D68-R71 IonicContact OD1-CZ 3.71Å; D68-R71 IonicContact OD1-NE 3.38Å; D68-R71 IonicContact OD1-NH1 2.74Å; D68-R71 PolarHBondContact OD1-NH1 3.45Å; R71-E74 PolarHBondContact O-N 3.06Å; R71-T75 WeakPolarHBondContact O-CG2 3.22Å; R71-T75 PolarHBondContact O-N 3.27Å; R71-T75 PolarHBondContact O-OG1 3.45Å; R71-T75 VanDerWaalsContact O-OG1 3.06Å
72	T	92.1	Very high	91.6	Very high	75 Å²	75	100.9 Å²	100.9	46%	0.46	49%	0.485	S	S	.	.	H	α-helix	trans	-69.3	-34.1	175.5	46.7	0	0	0	0	112.3	D68 R69 M70 T75 E76	D68-T72 WeakPolarHBondContact O-CB 3.41Å; D68-T72 WeakPolarHBondContact O-CG2 3.49Å; D68-T72 PolarHBondContact O-N 3.1Å; D68-T72 PolarHBondContact O-OG1 3.22Å; R69-T72 WeakPolarHBondContact CA-OG1 3.41Å; R69-T72 PolarHBondContact O-OG1 3.29Å; M70-T72 VanDerWaalsContact C-N 3.34Å; M70-T72 PolarHBondContact O-N 3.42Å; T72-T75 PolarHBondContact O-OG1 3.03Å; T72-E76 WeakPolarHBondContact O-CB 3.41Å; T72-E76 PolarHBondContact O-N 2.91Å
73	L	92.6	Very high	92	Very high	84 Å²	84	96.2 Å²	96.2	44%	0.44	48%	0.477	S	S	.	.	H	α-helix	trans	-71.9	-29.7	170.5	-71.9	169.6	0	0	0	112.9	R69 M70 N77	R69-L73 HydrophobicContact CG-CD1 4.18Å; R69-L73 WeakPolarHBondContact O-CB 3.07Å; R69-L73 WeakPolarHBondContact O-CD1 3.43Å; R69-L73 WeakPolarHBondContact O-CG 3.41Å; R69-L73 PolarHBondContact O-N 2.89Å; M70-L73 CarbonylContact O-C 3.58Å; M70-L73 WeakPolarHBondContact O-CA 3.39Å; M70-L73 PolarHBondContact O-N 2.88Å; M70-L73 VanDerWaalsContact O-N 3.09Å; L73-N77 WeakPolarHBondContact O-CB 3.42Å; L73-N77 PolarHBondContact O-N 3.42Å; L73-N77 PolarHBondContact O-ND2 2.86Å
74	E	93.5	Very high	92.4	Very high	91 Å²	91	96.3 Å²	96.3	43%	0.425	48%	0.477	S	S	.	.	H	α-helix	trans	-72.9	-46.8	175.8	-76.9	168.7	175.9	0	0	111.2	M70 R71 N77 Q78	M70-E74 WeakPolarHBondContact O-CB 3.19Å; M70-E74 VanDerWaalsContact O-CG 3.31Å; M70-E74 WeakPolarHBondContact O-CG 3.48Å; M70-E74 PolarHBondContact O-N 2.85Å; R71-E74 PolarHBondContact O-N 3.06Å; E74-N77 PolarHBondContact O-N 2.8Å; E74-Q78 WeakPolarHBondContact O-CB 3.39Å; E74-Q78 WeakPolarHBondContact O-CG 3.49Å; E74-Q78 PolarHBondContact O-N 3.05Å
75	T	92.5	Very high	92.8	Very high	82 Å²	82	100.6 Å²	100.6	50%	0.503	48%	0.484	S	S	.	.	H	α-helix	trans	-68	-35.3	174.6	55.7	0	0	0	0	111.8	R71 T72 Q78 R79	R71-T75 WeakPolarHBondContact O-CG2 3.22Å; R71-T75 PolarHBondContact O-N 3.27Å; R71-T75 PolarHBondContact O-OG1 3.45Å; R71-T75 VanDerWaalsContact O-OG1 3.06Å; T72-T75 PolarHBondContact O-OG1 3.03Å; T75-Q78 PolarHBondContact O-N 2.84Å; T75-R79 WeakPolarHBondContact O-CB 3.12Å; T75-R79 PolarHBondContact O-N 2.68Å
76	E	93.3	Very high	93.2	Very high	70 Å²	70	98.8 Å²	98.8	33%	0.327	48%	0.478	S	S	.	.	H	α-helix	trans	-69.1	-40.6	173	-177.7	61.4	-173.6	0	0	112	T72 Q78 R79 L80	T72-E76 WeakPolarHBondContact O-CB 3.41Å; T72-E76 PolarHBondContact O-N 2.91Å; E76-Q78 VanDerWaalsContact C-N 3.31Å; E76-Q78 PolarHBondContact O-N 3.24Å; E76-R79 PolarHBondContact O-N 3.37Å; E76-R79 IonicContact OE1-CZ 2.73Å; E76-R79 IonicContact OE1-NE 3.91Å; E76-R79 PolarHBondContact OE1-NE 2.92Å; E76-R79 IonicContact OE1-NH2 2.75Å; E76-R79 PolarHBondContact OE1-NH2 3.29Å; E76-R79 IonicContact OE2-CZ 3.5Å; E76-R79 IonicContact OE2-NE 3.19Å; E76-R79 PolarHBondContact OE2-NE 3.09Å; E76-R79 IonicContact OE2-NH2 2.66Å; E76-L80 HydrophobicContact CG-CD1 3.94Å; E76-L80 HydrophobicContact CG-CG 4.29Å; E76-L80 WeakPolarHBondContact O-CB 3.13Å; E76-L80 VanDerWaalsContact O-CG 3.27Å; E76-L80 WeakPolarHBondContact O-CG 3.49Å; E76-L80 PolarHBondContact O-N 2.78Å
77	N	91.9	Very high	93.3	Very high	111 Å²	111	94.4 Å²	94.4	59%	0.594	47%	0.47	S	S	*	.	H	α-helix	trans	-63.3	-36	171.8	-83.9	-46.9	0	0	0	112.1	L73 E74 G81	L73-N77 WeakPolarHBondContact O-CB 3.42Å; L73-N77 PolarHBondContact O-N 3.42Å; L73-N77 PolarHBondContact O-ND2 2.86Å; E74-N77 PolarHBondContact O-N 2.8Å; N77-G81 PolarHBondContact O-N 2.9Å
78	Q	95	Very high	93.6	Very high	124 Å²	124	96 Å²	96	58%	0.579	48%	0.476	S	S	*	.	H	α-helix	trans	-65.7	-44	171.8	-71.2	165.7	34.8	0	0	111.2	E74 T75 E76 G81 L82	E74-Q78 WeakPolarHBondContact O-CB 3.39Å; E74-Q78 WeakPolarHBondContact O-CG 3.49Å; E74-Q78 PolarHBondContact O-N 3.05Å; T75-Q78 PolarHBondContact O-N 2.84Å; E76-Q78 VanDerWaalsContact C-N 3.31Å; E76-Q78 PolarHBondContact O-N 3.24Å; Q78-G81 PolarHBondContact O-N 2.85Å; Q78-L82 WeakPolarHBondContact O-CB 3.27Å; Q78-L82 VanDerWaalsContact O-CG 3.3Å; Q78-L82 WeakPolarHBondContact O-CG 3.28Å; Q78-L82 PolarHBondContact O-N 3.22Å
79	R	94.9	Very high	93.8	Very high	129 Å²	129	95.2 Å²	95.2	49%	0.487	47%	0.47	S	S	.	.	H	α-helix	trans	-63	-46.9	177.2	-168	-167	71.4	79	0.2	111.9	T75 E76 L82 C83	T75-R79 WeakPolarHBondContact O-CB 3.12Å; T75-R79 PolarHBondContact O-N 2.68Å; E76-R79 PolarHBondContact O-N 3.37Å; E76-R79 IonicContact OE1-CZ 2.73Å; E76-R79 IonicContact OE1-NE 3.91Å; E76-R79 PolarHBondContact OE1-NE 2.92Å; E76-R79 IonicContact OE1-NH2 2.75Å; E76-R79 PolarHBondContact OE1-NH2 3.29Å; E76-R79 IonicContact OE2-CZ 3.5Å; E76-R79 IonicContact OE2-NE 3.19Å; E76-R79 PolarHBondContact OE2-NE 3.09Å; E76-R79 IonicContact OE2-NH2 2.66Å; R79-L82 PolarHBondContact O-N 3.35Å; R79-C83 VanDerWaalsContact O-CB 3.28Å; R79-C83 WeakPolarHBondContact O-CB 3.46Å; R79-C83 PolarHBondContact O-N 2.86Å
80	L	94	Very high	94	Very high	67 Å²	67	90.5 Å²	90.5	35%	0.351	46%	0.459	S	S	.	.	H	α-helix	trans	-65.1	-43.7	176.3	-69.9	172.1	0	0	0	110.9	E76 L82 C83 I84	E76-L80 HydrophobicContact CG-CD1 3.94Å; E76-L80 HydrophobicContact CG-CG 4.29Å; E76-L80 WeakPolarHBondContact O-CB 3.13Å; E76-L80 VanDerWaalsContact O-CG 3.27Å; E76-L80 WeakPolarHBondContact O-CG 3.49Å; E76-L80 PolarHBondContact O-N 2.78Å; L80-L82 VanDerWaalsContact C-N 3.32Å; L80-L82 PolarHBondContact O-N 3.15Å; L80-C83 PolarHBondContact O-N 3.25Å; L80-C83 VanDerWaalsContact O-N 3.14Å; L80-I84 WeakPolarHBondContact O-CB 3.44Å; L80-I84 VanDerWaalsContact O-CG1 3.26Å; L80-I84 WeakPolarHBondContact O-CG1 3.26Å; L80-I84 PolarHBondContact O-N 3.11Å
81	G	94.9	Very high	94.1	Very high	31 Å²	31	89.3 Å²	89.3	32%	0.32	46%	0.458	S	S	.	.	H	α-helix	trans	-62.2	-35.3	175.6	0	0	0	0	0	113.7	N77 Q78 R85	N77-G81 PolarHBondContact O-N 2.9Å; Q78-G81 PolarHBondContact O-N 2.85Å; G81-R85 VanDerWaalsContact O-CB 3.25Å; G81-R85 WeakPolarHBondContact O-CB 3.22Å; G81-R85 PolarHBondContact O-N 2.87Å; G81-R85 VanDerWaalsContact O-N 3.11Å
82	L	93.6	Very high	94.3	Very high	88 Å²	88	85.9 Å²	85.9	46%	0.461	45%	0.453	S	S	.	.	H	α-helix	trans	-72.5	-38.5	171.1	-72.1	171.1	0	0	0	112.3	Q78 R79 L80 N86	Q78-L82 WeakPolarHBondContact O-CB 3.27Å; Q78-L82 VanDerWaalsContact O-CG 3.3Å; Q78-L82 WeakPolarHBondContact O-CG 3.28Å; Q78-L82 PolarHBondContact O-N 3.22Å; R79-L82 PolarHBondContact O-N 3.35Å; L80-L82 VanDerWaalsContact C-N 3.32Å; L80-L82 PolarHBondContact O-N 3.15Å; L82-N86 WeakPolarHBondContact O-CB 3.33Å; L82-N86 VanDerWaalsContact O-CG 3.28Å; L82-N86 PolarHBondContact O-N 3.37Å
83	C	93.8	Very high	94.5	Very high	69 Å²	69	88.9 Å²	88.9	47%	0.466	46%	0.456	S	S	.	.	H	α-helix	trans	-67.4	-45.8	178.7	-171.3	0	0	0	0	111.8	R79 L80 N86 S87	R79-C83 VanDerWaalsContact O-CB 3.28Å; R79-C83 WeakPolarHBondContact O-CB 3.46Å; R79-C83 PolarHBondContact O-N 2.86Å; L80-C83 PolarHBondContact O-N 3.25Å; L80-C83 VanDerWaalsContact O-N 3.14Å; C83-N86 PolarHBondContact O-N 3.3Å; C83-S87 WeakPolarHBondContact O-CB 3.48Å; C83-S87 PolarHBondContact O-N 2.8Å; C83-S87 PolarHBondContact O-OG 3.36Å
84	I	95	Very high	94.6	Very high	89 Å²	89	90.4 Å²	90.4	46%	0.456	46%	0.461	S	S	.	.	H	α-helix	trans	-56.9	-55.8	172.2	-70.1	165.4	0	0	0	109.1	L80 N86 S87 E88	L80-I84 WeakPolarHBondContact O-CB 3.44Å; L80-I84 VanDerWaalsContact O-CG1 3.26Å; L80-I84 WeakPolarHBondContact O-CG1 3.26Å; L80-I84 PolarHBondContact O-N 3.11Å; I84-N86 VanDerWaalsContact C-N 3.35Å; I84-N86 PolarHBondContact O-N 2.92Å; I84-S87 CarbonylContact O-C 3.46Å; I84-S87 WeakPolarHBondContact O-CA 3.44Å; I84-S87 PolarHBondContact O-N 3.09Å; I84-S87 PolarHBondContact O-OG 2.85Å; I84-E88 HydrophobicContact CG2-CG 4.17Å; I84-E88 WeakPolarHBondContact O-CG 3Å; I84-E88 PolarHBondContact O-N 3.28Å
85	R	95.9	Very high	94.8	Very high	133 Å²	133	94.8 Å²	94.8	50%	0.502	47%	0.474	S	S	.	.	H	α-helix	trans	-55	-46.3	178.9	-172.1	-171.8	-52.8	156.7	7.9	112.7	G81 S87 E88 E89	G81-R85 VanDerWaalsContact O-CB 3.25Å; G81-R85 WeakPolarHBondContact O-CB 3.22Å; G81-R85 PolarHBondContact O-N 2.87Å; G81-R85 VanDerWaalsContact O-N 3.11Å; R85-S87 VanDerWaalsContact C-N 3.32Å; R85-S87 PolarHBondContact O-N 2.65Å; R85-E88 PolarHBondContact O-N 2.87Å; R85-E89 HydrophobicContact CG-CG 4.42Å; R85-E89 WeakPolarHBondContact O-CB 3.44Å; R85-E89 VanDerWaalsContact O-CG 3.31Å; R85-E89 WeakPolarHBondContact O-CG 3.2Å; R85-E89 PolarHBondContact O-N 3.48Å
86	N	95.2	Very high	94.9	Very high	96 Å²	96	94.3 Å²	94.3	51%	0.513	47%	0.468	S	S	.	.	H	α-helix	trans	-61.3	-41.3	176.8	-77.9	-1.1	0	0	0	111.6	L82 C83 I84 E89 V90	L82-N86 WeakPolarHBondContact O-CB 3.33Å; L82-N86 VanDerWaalsContact O-CG 3.28Å; L82-N86 PolarHBondContact O-N 3.37Å; C83-N86 PolarHBondContact O-N 3.3Å; I84-N86 VanDerWaalsContact C-N 3.35Å; I84-N86 PolarHBondContact O-N 2.92Å; N86-E89 PolarHBondContact O-N 2.92Å; N86-V90 WeakPolarHBondContact O-CG2 3.21Å; N86-V90 PolarHBondContact O-N 3.44Å
87	S	93.9	Very high	95	Very high	61 Å²	61	96.4 Å²	96.4	43%	0.427	48%	0.481	S	S	.	.	H	α-helix	trans	-67.7	-41	177.3	74.5	0	0	0	0	112.5	C83 I84 R85 V90 V91	C83-S87 WeakPolarHBondContact O-CB 3.48Å; C83-S87 PolarHBondContact O-N 2.8Å; C83-S87 PolarHBondContact O-OG 3.36Å; I84-S87 CarbonylContact O-C 3.46Å; I84-S87 WeakPolarHBondContact O-CA 3.44Å; I84-S87 PolarHBondContact O-N 3.09Å; I84-S87 PolarHBondContact O-OG 2.85Å; R85-S87 VanDerWaalsContact C-N 3.32Å; R85-S87 PolarHBondContact O-N 2.65Å; S87-V90 PolarHBondContact O-N 3.44Å; S87-V91 WeakPolarHBondContact O-CB 3.4Å; S87-V91 VanDerWaalsContact O-CG2 3.28Å; S87-V91 WeakPolarHBondContact O-CG2 3.31Å; S87-V91 PolarHBondContact O-N 2.77Å
88	E	96.4	Very high	95.2	Very high	115 Å²	115	95.9 Å²	95.9	54%	0.537	48%	0.476	S	S	.	.	H	α-helix	trans	-65.2	-41.2	175.1	-69.5	174.7	148.9	0	0	111.2	I84 R85 T92	I84-E88 HydrophobicContact CG2-CG 4.17Å; I84-E88 WeakPolarHBondContact O-CG 3Å; I84-E88 PolarHBondContact O-N 3.28Å; R85-E88 PolarHBondContact O-N 2.87Å; E88-T92 VanDerWaalsContact O-CB 3.28Å; E88-T92 WeakPolarHBondContact O-CB 3.36Å; E88-T92 VanDerWaalsContact O-CG2 3.24Å; E88-T92 WeakPolarHBondContact O-CG2 3.38Å; E88-T92 PolarHBondContact O-N 3.33Å; E88-T92 PolarHBondContact O-OG1 3.22Å
89	E	95.6	Very high	95.3	Very high	63 Å²	63	95.6 Å²	95.6	29%	0.294	47%	0.47	S	S	.	.	H	α-helix	trans	-64.8	-40.5	174.3	-77.6	-174.8	-154.2	0	0	112.4	R85 N86 T92 R93	R85-E89 HydrophobicContact CG-CG 4.42Å; R85-E89 WeakPolarHBondContact O-CB 3.44Å; R85-E89 VanDerWaalsContact O-CG 3.31Å; R85-E89 WeakPolarHBondContact O-CG 3.2Å; R85-E89 PolarHBondContact O-N 3.48Å; N86-E89 PolarHBondContact O-N 2.92Å; E89-T92 WeakPolarHBondContact CA-OG1 3.39Å; E89-T92 PolarHBondContact O-OG1 2.86Å; E89-R93 VanDerWaalsContact O-CB 3.27Å; E89-R93 WeakPolarHBondContact O-CB 3.36Å; E89-R93 WeakPolarHBondContact O-CD 3.46Å; E89-R93 WeakPolarHBondContact O-CG 3.31Å; E89-R93 PolarHBondContact O-N 3.43Å; E89-R93 IonicContact OE2-CZ 2.82Å; E89-R93 IonicContact OE2-NH1 3.56Å; E89-R93 PolarHBondContact OE2-NH1 3.49Å; E89-R93 IonicContact OE2-NH2 3.56Å; E89-R93 PolarHBondContact OE2-NH2 3.34Å
90	V	95	Very high	95.4	Very high	66 Å²	66	90.5 Å²	90.5	40%	0.4	46%	0.458	S	S	.	.	H	α-helix	trans	-67	-51	175.1	169.8	0	0	0	0	110.5	N86 S87 T92 R93 E94	N86-V90 WeakPolarHBondContact O-CG2 3.21Å; N86-V90 PolarHBondContact O-N 3.44Å; S87-V90 PolarHBondContact O-N 3.44Å; V90-T92 VanDerWaalsContact C-N 3.29Å; V90-T92 PolarHBondContact O-N 2.83Å; V90-R93 PolarHBondContact O-N 2.85Å; V90-R93 VanDerWaalsContact O-N 3.14Å; V90-E94 HydrophobicContact CG1-CG 4.32Å; V90-E94 WeakPolarHBondContact O-CB 3.16Å; V90-E94 WeakPolarHBondContact O-CG 3.28Å; V90-E94 PolarHBondContact O-N 2.84Å
91	V	96.6	Very high	95.5	Very high	89 Å²	89	88.5 Å²	88.5	54%	0.539	45%	0.451	S	S	.	.	H	α-helix	trans	-60.4	-38.1	179.1	169.6	0	0	0	0	111.5	S87 R95	S87-V91 WeakPolarHBondContact O-CB 3.4Å; S87-V91 VanDerWaalsContact O-CG2 3.28Å; S87-V91 WeakPolarHBondContact O-CG2 3.31Å; S87-V91 PolarHBondContact O-N 2.77Å; V91-R95 WeakPolarHBondContact O-CB 3.38Å; V91-R95 PolarHBondContact O-N 3.49Å
92	T	95	Very high	95.4	Very high	71 Å²	71	94.1 Å²	94.1	44%	0.436	46%	0.463	S	S	.	.	H	α-helix	trans	-72.2	-39.2	175	52.5	0	0	0	0	112.5	E88 E89 V90 N96	E88-T92 VanDerWaalsContact O-CB 3.28Å; E88-T92 WeakPolarHBondContact O-CB 3.36Å; E88-T92 VanDerWaalsContact O-CG2 3.24Å; E88-T92 WeakPolarHBondContact O-CG2 3.38Å; E88-T92 PolarHBondContact O-N 3.33Å; E88-T92 PolarHBondContact O-OG1 3.22Å; E89-T92 WeakPolarHBondContact CA-OG1 3.39Å; E89-T92 PolarHBondContact O-OG1 2.86Å; V90-T92 VanDerWaalsContact C-N 3.29Å; V90-T92 PolarHBondContact O-N 2.83Å; T92-N96 WeakPolarHBondContact O-CB 3.15Å; T92-N96 PolarHBondContact O-N 3.04Å; T92-N96 PolarHBondContact O-ND2 2.81Å
93	R	95.2	Very high	95.6	Very high	137 Å²	137	94.7 Å²	94.7	52%	0.517	46%	0.464	S	S	.	.	H	α-helix	trans	-59.4	-50.7	171.9	-76.6	165.6	-176.3	131.1	12.9	111.3	E89 V90 N96 N97	E89-R93 VanDerWaalsContact O-CB 3.27Å; E89-R93 WeakPolarHBondContact O-CB 3.36Å; E89-R93 WeakPolarHBondContact O-CD 3.46Å; E89-R93 WeakPolarHBondContact O-CG 3.31Å; E89-R93 PolarHBondContact O-N 3.43Å; E89-R93 IonicContact OE2-CZ 2.82Å; E89-R93 IonicContact OE2-NH1 3.56Å; E89-R93 PolarHBondContact OE2-NH1 3.49Å; E89-R93 IonicContact OE2-NH2 3.56Å; E89-R93 PolarHBondContact OE2-NH2 3.34Å; V90-R93 PolarHBondContact O-N 2.85Å; V90-R93 VanDerWaalsContact O-N 3.14Å; R93-N96 PolarHBondContact O-N 2.94Å; R93-N97 WeakPolarHBondContact O-CB 3.3Å; R93-N97 PolarHBondContact O-N 3.32Å; R93-N97 PolarHBondContact O-OD1 2.97Å
94	E	95.7	Very high	95.8	Very high	117 Å²	117	98.8 Å²	98.8	55%	0.547	47%	0.469	S	S	.	.	H	α-helix	trans	-65.3	-44.5	179.5	-69.9	-178.6	166.6	0	0	112.2	V90 N96 N97 M98	V90-E94 HydrophobicContact CG1-CG 4.32Å; V90-E94 WeakPolarHBondContact O-CB 3.16Å; V90-E94 WeakPolarHBondContact O-CG 3.28Å; V90-E94 PolarHBondContact O-N 2.84Å; E94-N96 VanDerWaalsContact C-N 3.31Å; E94-N96 PolarHBondContact O-N 3.44Å; E94-N97 PolarHBondContact O-N 3.33Å; E94-M98 WeakPolarHBondContact O-CB 3.45Å; E94-M98 WeakPolarHBondContact O-CG 3.47Å; E94-M98 PolarHBondContact O-N 3.21Å
95	R	96.7	Very high	95.9	Very high	183 Å²	183	99.5 Å²	99.5	69%	0.691	47%	0.471	S	S	*	.	H	α-helix	trans	-59.1	-40.9	173.3	178.7	-179.7	171.6	88.2	-0.9	111.8	V91 R99	V91-R95 WeakPolarHBondContact O-CB 3.38Å; V91-R95 PolarHBondContact O-N 3.49Å; R95-R99 WeakPolarHBondContact O-CB 3.09Å; R95-R99 PolarHBondContact O-N 2.9Å
96	N	95.6	Very high	95.9	Very high	71 Å²	71	97.3 Å²	97.3	38%	0.38	47%	0.469	S	S	.	.	H	α-helix	trans	-68.5	-40.7	176	-75.4	-33.4	0	0	0	111.7	T92 R93 E94 R99 G100	T92-N96 WeakPolarHBondContact O-CB 3.15Å; T92-N96 PolarHBondContact O-N 3.04Å; T92-N96 PolarHBondContact O-ND2 2.81Å; R93-N96 PolarHBondContact O-N 2.94Å; E94-N96 VanDerWaalsContact C-N 3.31Å; E94-N96 PolarHBondContact O-N 3.44Å; N96-R99 PolarHBondContact OD1-NH1 3.4Å; N96-R99 PolarHBondContact OD1-NH2 2.96Å; N96-G100 PolarHBondContact O-N 2.78Å
97	N	96.2	Very high	96	Very high	114 Å²	114	95.3 Å²	95.3	61%	0.61	47%	0.465	S	S	*	.	H	α-helix	trans	-65.3	-46.4	177.2	-71.1	-10.9	0	0	0	111.8	R93 E94 G100 A101	R93-N97 WeakPolarHBondContact O-CB 3.3Å; R93-N97 PolarHBondContact O-N 3.32Å; R93-N97 PolarHBondContact O-OD1 2.97Å; E94-N97 PolarHBondContact O-N 3.33Å; N97-G100 CarbonylContact O-C 3.56Å; N97-G100 PolarHBondContact O-N 2.85Å; N97-A101 PolarHBondContact O-N 3.21Å
98	M	95.2	Very high	96.1	Very high	100 Å²	100	97.8 Å²	97.8	49%	0.493	47%	0.47	S	S	.	.	H	α-helix	trans	-67.1	-41	176.9	-69.9	-56.4	-60.9	0	0	111.7	E94 A101 Y102	E94-M98 WeakPolarHBondContact O-CB 3.45Å; E94-M98 WeakPolarHBondContact O-CG 3.47Å; E94-M98 PolarHBondContact O-N 3.21Å; M98-A101 WeakPolarHBondContact O-CB 3.25Å; M98-A101 PolarHBondContact O-N 3.3Å; M98-Y102 HydrophobicContact CE-CE2 3.79Å; M98-Y102 WeakPolarHBondContact O-CD2 3.41Å; M98-Y102 PolarHBondContact O-N 3.23Å
99	R	96.8	Very high	96.1	Very high	119 Å²	119	95.8 Å²	95.8	45%	0.449	47%	0.466	S	S	.	.	H	α-helix	trans	-59.8	-48.6	172.3	-167.1	-167	63.9	-115.4	-9.7	110.5	R95 N96 A101 Y102 E103	R95-R99 WeakPolarHBondContact O-CB 3.09Å; R95-R99 PolarHBondContact O-N 2.9Å; N96-R99 PolarHBondContact OD1-NH1 3.4Å; N96-R99 PolarHBondContact OD1-NH2 2.96Å; R99-A101 PolarHBondContact O-N 2.84Å; R99-Y102 PolarHBondContact O-N 2.86Å; R99-E103 WeakPolarHBondContact CD-OE1 3.27Å; R99-E103 HydrophobicContact CG-CG 4.16Å; R99-E103 WeakPolarHBondContact CG-OE1 3.47Å; R99-E103 IonicContact NE-OE1 3.56Å; R99-E103 PolarHBondContact NE-OE1 3.16Å; R99-E103 VanDerWaalsContact NE-OE1 3.11Å; R99-E103 IonicContact NE-OE2 3.44Å; R99-E103 PolarHBondContact NE-OE2 2.75Å; R99-E103 VanDerWaalsContact O-CB 3.29Å; R99-E103 WeakPolarHBondContact O-CB 3.36Å; R99-E103 VanDerWaalsContact O-CG 3.24Å; R99-E103 WeakPolarHBondContact O-CG 3.27Å; R99-E103 PolarHBondContact O-N 3.43Å
100	G	96.6	Very high	96.1	Very high	22 Å²	22	100.5 Å²	100.5	23%	0.227	48%	0.481	C	S	.	.	H	α-helix	trans	-67.8	-12.9	176.6	0	0	0	0	0	115.1	N96 N97 R104	N96-G100 PolarHBondContact O-N 2.78Å; N97-G100 CarbonylContact O-C 3.56Å; N97-G100 PolarHBondContact O-N 2.85Å; G100-R104 WeakPolarHBondContact O-CG 3.35Å; G100-R104 PolarHBondContact O-NE 2.7Å
101	A	96	Very high	96.2	Very high	25 Å²	25	105 Å²	105	21%	0.207	49%	0.491	C	S	.	.	H	α-helix	trans	-80.9	-57.1	165.7	0	0	0	0	0	110.3	N97 M98 R99 E103 R104 E105	N97-A101 PolarHBondContact O-N 3.21Å; M98-A101 WeakPolarHBondContact O-CB 3.25Å; M98-A101 PolarHBondContact O-N 3.3Å; R99-A101 PolarHBondContact O-N 2.84Å; A101-E103 VanDerWaalsContact C-N 3.25Å; A101-E103 PolarHBondContact O-N 3.31Å; A101-R104 WeakPolarHBondContact O-CA 3.5Å; A101-R104 WeakPolarHBondContact O-CB 3.03Å; A101-R104 PolarHBondContact O-N 2.74Å; A101-E105 PolarHBondContact O-N 2.84Å
102	Y	94.6	Very high	96.3	Very high	148 Å²	148	104.6 Å²	104.6	58%	0.58	49%	0.486	S	S	*	.	H	α-helix	trans	-59.6	-33.3	177.9	-68.6	-60.2	0	0	0	113.2	M98 R99 R104 E105 L106	M98-Y102 HydrophobicContact CE-CE2 3.79Å; M98-Y102 WeakPolarHBondContact O-CD2 3.41Å; M98-Y102 PolarHBondContact O-N 3.23Å; R99-Y102 PolarHBondContact O-N 2.86Å; Y102-R104 VanDerWaalsContact C-N 3.32Å; Y102-R104 PolarHBondContact O-N 3.14Å; Y102-E105 PolarHBondContact O-N 2.82Å; Y102-L106 WeakPolarHBondContact O-CB 3.49Å; Y102-L106 WeakPolarHBondContact O-CD1 3.46Å; Y102-L106 WeakPolarHBondContact O-CG 3.28Å; Y102-L106 PolarHBondContact O-N 2.75Å
103	E	97.2	Very high	96.4	Very high	100 Å²	100	105.1 Å²	105.1	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-64.6	-33	173	-76.2	167.3	163.2	0	0	112.2	R99 A101 A107	R99-E103 WeakPolarHBondContact CD-OE1 3.27Å; R99-E103 HydrophobicContact CG-CG 4.16Å; R99-E103 WeakPolarHBondContact CG-OE1 3.47Å; R99-E103 IonicContact NE-OE1 3.56Å; R99-E103 PolarHBondContact NE-OE1 3.16Å; R99-E103 VanDerWaalsContact NE-OE1 3.11Å; R99-E103 IonicContact NE-OE2 3.44Å; R99-E103 PolarHBondContact NE-OE2 2.75Å; R99-E103 VanDerWaalsContact O-CB 3.29Å; R99-E103 WeakPolarHBondContact O-CB 3.36Å; R99-E103 VanDerWaalsContact O-CG 3.24Å; R99-E103 WeakPolarHBondContact O-CG 3.27Å; R99-E103 PolarHBondContact O-N 3.43Å; A101-E103 VanDerWaalsContact C-N 3.25Å; A101-E103 PolarHBondContact O-N 3.31Å; E103-A107 VanDerWaalsContact O-CB 3.31Å; E103-A107 WeakPolarHBondContact O-CB 3.36Å; E103-A107 PolarHBondContact O-N 2.84Å
104	R	97.3	Very high	96.5	Very high	155 Å²	155	103 Å²	103	59%	0.585	49%	0.49	S	S	*	.	H	α-helix	trans	-73.6	-47.6	172.7	-77	179.2	-69.3	125.7	-4.5	111.7	G100 A101 Y102 L106 A107 E108	G100-R104 WeakPolarHBondContact O-CG 3.35Å; G100-R104 PolarHBondContact O-NE 2.7Å; A101-R104 WeakPolarHBondContact O-CA 3.5Å; A101-R104 WeakPolarHBondContact O-CB 3.03Å; A101-R104 PolarHBondContact O-N 2.74Å; Y102-R104 VanDerWaalsContact C-N 3.32Å; Y102-R104 PolarHBondContact O-N 3.14Å; R104-L106 VanDerWaalsContact C-N 3.27Å; R104-L106 PolarHBondContact O-N 3.42Å; R104-A107 CarbonylContact O-C 3.59Å; R104-A107 WeakPolarHBondContact O-CA 3.2Å; R104-A107 WeakPolarHBondContact O-CB 3.38Å; R104-A107 PolarHBondContact O-N 3.42Å; R104-E108 WeakPolarHBondContact O-CB 3.48Å; R104-E108 PolarHBondContact O-N 2.99Å
105	E	97	Very high	96.5	Very high	104 Å²	104	101 Å²	101	49%	0.486	48%	0.481	S	S	.	.	H	α-helix	trans	-59.2	-39.1	175.8	-56	-54.1	132.1	0	0	111.6	A101 Y102 T109	A101-E105 PolarHBondContact O-N 2.84Å; Y102-E105 PolarHBondContact O-N 2.82Å; E105-T109 WeakPolarHBondContact O-CB 3.43Å; E105-T109 WeakPolarHBondContact O-CG2 3.49Å; E105-T109 PolarHBondContact O-N 2.77Å; E105-T109 PolarHBondContact O-OG1 3.29Å
106	L	96.1	Very high	96.5	Very high	87 Å²	87	98.1 Å²	98.1	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-70.7	-29.8	174.8	-73.4	169.5	0	0	0	112.8	Y102 R104 T109 R110	Y102-L106 WeakPolarHBondContact O-CB 3.49Å; Y102-L106 WeakPolarHBondContact O-CD1 3.46Å; Y102-L106 WeakPolarHBondContact O-CG 3.28Å; Y102-L106 PolarHBondContact O-N 2.75Å; R104-L106 VanDerWaalsContact C-N 3.27Å; R104-L106 PolarHBondContact O-N 3.42Å; L106-T109 WeakPolarHBondContact CA-OG1 3.43Å; L106-T109 PolarHBondContact O-OG1 2.83Å; L106-R110 WeakPolarHBondContact O-CB 3.48Å; L106-R110 VanDerWaalsContact O-CD 3.23Å; L106-R110 WeakPolarHBondContact O-CD 3.11Å; L106-R110 WeakPolarHBondContact O-CG 3.29Å; L106-R110 PolarHBondContact O-N 3.33Å
107	A	97	Very high	96.6	Very high	54 Å²	54	97.5 Å²	97.5	45%	0.446	48%	0.479	S	S	.	.	H	α-helix	trans	-74	-41.9	172.6	0	0	0	0	0	111.6	E103 R104 R111	E103-A107 VanDerWaalsContact O-CB 3.31Å; E103-A107 WeakPolarHBondContact O-CB 3.36Å; E103-A107 PolarHBondContact O-N 2.84Å; R104-A107 CarbonylContact O-C 3.59Å; R104-A107 WeakPolarHBondContact O-CA 3.2Å; R104-A107 WeakPolarHBondContact O-CB 3.38Å; R104-A107 PolarHBondContact O-N 3.42Å; A107-R111 VanDerWaalsContact O-CB 3.25Å; A107-R111 WeakPolarHBondContact O-CB 3.32Å; A107-R111 PolarHBondContact O-N 3.23Å
108	E	97.3	Very high	96.6	Very high	114 Å²	114	97.5 Å²	97.5	53%	0.533	48%	0.475	S	S	.	.	H	α-helix	trans	-68.1	-46.3	178.7	-174.7	164	168.7	0	0	111.7	R104 R110 R111 L112	R104-E108 WeakPolarHBondContact O-CB 3.48Å; R104-E108 PolarHBondContact O-N 2.99Å; E108-R110 VanDerWaalsContact C-N 3.35Å; E108-R110 PolarHBondContact O-N 2.82Å; E108-R111 PolarHBondContact O-N 2.94Å; E108-L112 HydrophobicContact CG-CD1 4.1Å; E108-L112 WeakPolarHBondContact O-CB 3.2Å; E108-L112 VanDerWaalsContact O-CG 3.31Å; E108-L112 WeakPolarHBondContact O-CG 3.15Å; E108-L112 PolarHBondContact O-N 3.4Å
109	T	95.1	Very high	96.7	Very high	73 Å²	73	96.6 Å²	96.6	45%	0.448	47%	0.47	S	S	.	.	H	α-helix	trans	-63.7	-36.6	175.5	49.9	0	0	0	0	113.1	E105 L106 C113	E105-T109 WeakPolarHBondContact O-CB 3.43Å; E105-T109 WeakPolarHBondContact O-CG2 3.49Å; E105-T109 PolarHBondContact O-N 2.77Å; E105-T109 PolarHBondContact O-OG1 3.29Å; L106-T109 WeakPolarHBondContact CA-OG1 3.43Å; L106-T109 PolarHBondContact O-OG1 2.83Å; T109-C113 PolarHBondContact O-N 2.77Å; T109-C113 PolarHBondContact O-SG 3.34Å
110	R	96.4	Very high	96.7	Very high	162 Å²	162	97.9 Å²	97.9	61%	0.611	48%	0.479	S	S	*	.	H	α-helix	trans	-64.1	-50.2	170.8	-77.3	170.6	-173.7	155.3	1.6	111.4	L106 E108 L112 C113 D114	L106-R110 WeakPolarHBondContact O-CB 3.48Å; L106-R110 VanDerWaalsContact O-CD 3.23Å; L106-R110 WeakPolarHBondContact O-CD 3.11Å; L106-R110 WeakPolarHBondContact O-CG 3.29Å; L106-R110 PolarHBondContact O-N 3.33Å; E108-R110 VanDerWaalsContact C-N 3.35Å; E108-R110 PolarHBondContact O-N 2.82Å; R110-L112 VanDerWaalsContact C-N 3.29Å; R110-L112 PolarHBondContact O-N 3.38Å; R110-C113 CarbonylContact O-C 3.52Å; R110-C113 WeakPolarHBondContact O-CA 3.41Å; R110-C113 WeakPolarHBondContact O-CB 3.17Å; R110-C113 PolarHBondContact O-N 3.43Å; R110-D114 PolarHBondContact O-N 2.79Å
111	R	97.4	Very high	96.8	Very high	159 Å²	159	98.9 Å²	98.9	60%	0.6	49%	0.485	S	S	*	.	H	α-helix	trans	-54.8	-44.8	176.6	177	-179	169.8	173	-1.5	111.7	A107 E108 D114 E115	A107-R111 VanDerWaalsContact O-CB 3.25Å; A107-R111 WeakPolarHBondContact O-CB 3.32Å; A107-R111 PolarHBondContact O-N 3.23Å; E108-R111 PolarHBondContact O-N 2.94Å; R111-D114 PolarHBondContact O-N 3.06Å; R111-E115 HydrophobicContact CG-CG 4.38Å; R111-E115 IonicContact CZ-OE1 3.54Å; R111-E115 VanDerWaalsContact CZ-OE1 3.23Å; R111-E115 IonicContact NE-OE1 2.68Å; R111-E115 PolarHBondContact NE-OE1 3.32Å; R111-E115 IonicContact NH2-OE1 3.47Å; R111-E115 PolarHBondContact NH2-OE1 2.91Å; R111-E115 WeakPolarHBondContact O-CB 3.21Å; R111-E115 WeakPolarHBondContact O-CG 3.38Å; R111-E115 PolarHBondContact O-N 3.48Å
112	L	97.7	Very high	96.8	Very high	82 Å²	82	105.4 Å²	105.4	43%	0.429	50%	0.504	S	S	.	.	H	α-helix	trans	-65.3	-36.7	175.9	-71.3	169.7	0	0	0	112	E108 R110 L116	E108-L112 HydrophobicContact CG-CD1 4.1Å; E108-L112 WeakPolarHBondContact O-CB 3.2Å; E108-L112 VanDerWaalsContact O-CG 3.31Å; E108-L112 WeakPolarHBondContact O-CG 3.15Å; E108-L112 PolarHBondContact O-N 3.4Å; R110-L112 VanDerWaalsContact C-N 3.29Å; R110-L112 PolarHBondContact O-N 3.38Å; L112-L116 WeakPolarHBondContact O-CB 3.32Å; L112-L116 WeakPolarHBondContact O-CD1 3.42Å; L112-L116 WeakPolarHBondContact O-CG 3.28Å; L112-L116 PolarHBondContact O-N 2.81Å
113	C	97	Very high	96.9	Very high	81 Å²	81	103.6 Å²	103.6	55%	0.547	50%	0.504	S	S	.	.	H	α-helix	trans	-64.8	-41.7	172.1	-69.4	0	0	0	0	112.2	T109 R110 S117	T109-C113 PolarHBondContact O-N 2.77Å; T109-C113 PolarHBondContact O-SG 3.34Å; R110-C113 CarbonylContact O-C 3.52Å; R110-C113 WeakPolarHBondContact O-CA 3.41Å; R110-C113 WeakPolarHBondContact O-CB 3.17Å; R110-C113 PolarHBondContact O-N 3.43Å; C113-S117 WeakPolarHBondContact O-CB 3.41Å; C113-S117 PolarHBondContact O-N 2.83Å
114	D	97	Very high	96.9	Very high	92 Å²	92	105.5 Å²	105.5	49%	0.492	51%	0.513	S	S	.	.	H	α-helix	trans	-67.4	-46.4	178.2	-64.6	-32.8	0	0	0	110.9	R110 R111 S117 H118	R110-D114 PolarHBondContact O-N 2.79Å; R111-D114 PolarHBondContact O-N 3.06Å; D114-S117 WeakPolarHBondContact O-CB 3.38Å; D114-S117 PolarHBondContact O-N 3.45Å; D114-S117 VanDerWaalsContact O-N 3.1Å; D114-S117 PolarHBondContact O-OG 2.99Å; D114-H118 PolarHBondContact O-CD2 2.83Å; D114-H118 PolarHBondContact O-N 2.78Å
115	E	97.4	Very high	96.9	Very high	76 Å²	76	103.2 Å²	103.2	36%	0.355	51%	0.511	S	S	.	.	H	α-helix	trans	-58.9	-46.1	173.4	-74.6	175.4	173.8	0	0	111.6	R111 S117 H118 E119	R111-E115 HydrophobicContact CG-CG 4.38Å; R111-E115 IonicContact CZ-OE1 3.54Å; R111-E115 VanDerWaalsContact CZ-OE1 3.23Å; R111-E115 IonicContact NE-OE1 2.68Å; R111-E115 PolarHBondContact NE-OE1 3.32Å; R111-E115 IonicContact NH2-OE1 3.47Å; R111-E115 PolarHBondContact NH2-OE1 2.91Å; R111-E115 WeakPolarHBondContact O-CB 3.21Å; R111-E115 WeakPolarHBondContact O-CG 3.38Å; R111-E115 PolarHBondContact O-N 3.48Å; E115-S117 VanDerWaalsContact C-N 3.3Å; E115-S117 PolarHBondContact O-N 3.07Å; E115-H118 PolarHBondContact O-N 3.08Å; E115-E119 PolarHBondContact O-N 2.97Å
116	L	96.8	Very high	96.9	Very high	122 Å²	122	101.8 Å²	101.8	64%	0.639	51%	0.505	S	S	*	.	H	α-helix	trans	-63.5	-32.9	173.4	-74.4	169.6	0	0	0	112.7	L112 K120	L112-L116 WeakPolarHBondContact O-CB 3.32Å; L112-L116 WeakPolarHBondContact O-CD1 3.42Å; L112-L116 WeakPolarHBondContact O-CG 3.28Å; L112-L116 PolarHBondContact O-N 2.81Å; L116-K120 WeakPolarHBondContact O-CB 3.37Å; L116-K120 PolarHBondContact O-N 3.46Å
117	S	96.6	Very high	96.9	Very high	58 Å²	58	100.9 Å²	100.9	41%	0.406	51%	0.505	S	S	.	.	H	α-helix	trans	-68.7	-39.6	174.8	88	0	0	0	0	111.5	C113 D114 E115 A121	C113-S117 WeakPolarHBondContact O-CB 3.41Å; C113-S117 PolarHBondContact O-N 2.83Å; D114-S117 WeakPolarHBondContact O-CB 3.38Å; D114-S117 PolarHBondContact O-N 3.45Å; D114-S117 VanDerWaalsContact O-N 3.1Å; D114-S117 PolarHBondContact O-OG 2.99Å; E115-S117 VanDerWaalsContact C-N 3.3Å; E115-S117 PolarHBondContact O-N 3.07Å; S117-A121 WeakPolarHBondContact O-CB 3.47Å; S117-A121 PolarHBondContact O-N 3.24Å
118	H	97	Very high	96.9	Very high	114 Å²	114	100 Å²	100	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-69.1	-43.1	176.8	-67.6	-31.4	0	0	0	111.7	D114 E115 A121 R122	D114-H118 PolarHBondContact O-CD2 2.83Å; D114-H118 PolarHBondContact O-N 2.78Å; E115-H118 PolarHBondContact O-N 3.08Å; H118-A121 PolarHBondContact O-N 3.37Å; H118-R122 WeakPolarHBondContact O-CB 3.3Å; H118-R122 VanDerWaalsContact O-CG 3.26Å; H118-R122 WeakPolarHBondContact O-CG 3.38Å; H118-R122 PolarHBondContact O-N 2.91Å
119	E	97.6	Very high	96.8	Very high	82 Å²	82	99.8 Å²	99.8	38%	0.383	50%	0.499	S	S	.	.	H	α-helix	trans	-65.8	-40.4	174.1	-72	-50.4	130.3	0	0	112.1	E115 A121 R122 L123	E115-E119 PolarHBondContact O-N 2.97Å; E119-A121 VanDerWaalsContact C-N 3.32Å; E119-A121 PolarHBondContact O-N 3.27Å; E119-R122 PolarHBondContact O-N 3.38Å; E119-R122 VanDerWaalsContact OE1-CD 3.24Å; E119-R122 WeakPolarHBondContact OE1-CD 3.37Å; E119-R122 IonicContact OE1-CZ 3.71Å; E119-R122 IonicContact OE1-NE 2.86Å; E119-R122 IonicContact OE1-NH1 3.61Å; E119-R122 PolarHBondContact OE1-NH1 3.41Å; E119-L123 WeakPolarHBondContact O-CB 3.4Å; E119-L123 VanDerWaalsContact O-CG 3.3Å; E119-L123 WeakPolarHBondContact O-CG 3.34Å; E119-L123 PolarHBondContact O-N 2.98Å
120	K	96.5	Very high	96.8	Very high	146 Å²	146	101.5 Å²	101.5	64%	0.635	50%	0.501	S	S	*	.	H	α-helix	trans	-58.9	-43.4	171.8	-177.8	-177.8	175.6	-173.8	0	111.8	L116 Q124	L116-K120 WeakPolarHBondContact O-CB 3.37Å; L116-K120 PolarHBondContact O-N 3.46Å; K120-Q124 VanDerWaalsContact O-CB 3.28Å; K120-Q124 WeakPolarHBondContact O-CB 3.22Å; K120-Q124 PolarHBondContact O-N 2.79Å
121	A	97.2	Very high	96.8	Very high	43 Å²	43	98.4 Å²	98.4	36%	0.355	50%	0.5	S	S	.	.	H	α-helix	trans	-66.8	-42	177.3	0	0	0	0	0	112.2	S117 H118 E119 Q124 I125	S117-A121 WeakPolarHBondContact O-CB 3.47Å; S117-A121 PolarHBondContact O-N 3.24Å; H118-A121 PolarHBondContact O-N 3.37Å; E119-A121 VanDerWaalsContact C-N 3.32Å; E119-A121 PolarHBondContact O-N 3.27Å; A121-Q124 PolarHBondContact O-N 3.2Å; A121-I125 WeakPolarHBondContact O-CB 3.46Å; A121-I125 VanDerWaalsContact O-CG1 3.29Å; A121-I125 WeakPolarHBondContact O-CG1 3.18Å; A121-I125 PolarHBondContact O-N 3.31Å
122	R	97.9	Very high	96.7	Very high	161 Å²	161	94.7 Å²	94.7	61%	0.608	50%	0.499	S	S	*	.	H	α-helix	trans	-58.4	-51.8	174	-76.5	167.4	171.9	-171.7	-3.3	111.3	H118 E119 Q124 I125 E126	H118-R122 WeakPolarHBondContact O-CB 3.3Å; H118-R122 VanDerWaalsContact O-CG 3.26Å; H118-R122 WeakPolarHBondContact O-CG 3.38Å; H118-R122 PolarHBondContact O-N 2.91Å; E119-R122 PolarHBondContact O-N 3.38Å; E119-R122 VanDerWaalsContact OE1-CD 3.24Å; E119-R122 WeakPolarHBondContact OE1-CD 3.37Å; E119-R122 IonicContact OE1-CZ 3.71Å; E119-R122 IonicContact OE1-NE 2.86Å; E119-R122 IonicContact OE1-NH1 3.61Å; E119-R122 PolarHBondContact OE1-NH1 3.41Å; R122-Q124 PolarHBondContact O-N 3.32Å; R122-I125 PolarHBondContact O-N 3.49Å; R122-E126 WeakPolarHBondContact O-CB 3.49Å; R122-E126 PolarHBondContact O-N 2.94Å
123	L	96.3	Very high	96.6	Very high	110 Å²	110	94.4 Å²	94.4	58%	0.576	50%	0.501	S	S	*	.	H	α-helix	trans	-63.2	-39.5	178.4	-69.1	171.4	0	0	0	112	E119 E126 C127	E119-L123 WeakPolarHBondContact O-CB 3.4Å; E119-L123 VanDerWaalsContact O-CG 3.3Å; E119-L123 WeakPolarHBondContact O-CG 3.34Å; E119-L123 PolarHBondContact O-N 2.98Å; L123-E126 PolarHBondContact O-N 3.42Å; L123-C127 WeakPolarHBondContact O-CB 3.48Å; L123-C127 PolarHBondContact O-N 2.82Å; L123-C127 PolarHBondContact O-SG 3.48Å; L123-C127 VanDerWaalsContact O-SG 3.32Å
124	Q	97.4	Very high	96.6	Very high	141 Å²	141	92.7 Å²	92.7	66%	0.659	49%	0.493	S	S	*	.	H	α-helix	trans	-64	-41.7	175.5	-176.8	173.2	-8	0	0	112.2	K120 A121 R122 G128	K120-Q124 VanDerWaalsContact O-CB 3.28Å; K120-Q124 WeakPolarHBondContact O-CB 3.22Å; K120-Q124 PolarHBondContact O-N 2.79Å; A121-Q124 PolarHBondContact O-N 3.2Å; R122-Q124 PolarHBondContact O-N 3.32Å; Q124-G128 PolarHBondContact O-N 3.38Å
125	I	96.1	Very high	96.5	Very high	106 Å²	106	91.9 Å²	91.9	54%	0.544	49%	0.493	S	S	.	.	H	α-helix	trans	-63.2	-43.3	173.5	-72.3	165.6	0	0	0	110.4	A121 R122 G128 K129	A121-I125 WeakPolarHBondContact O-CB 3.46Å; A121-I125 VanDerWaalsContact O-CG1 3.29Å; A121-I125 WeakPolarHBondContact O-CG1 3.18Å; A121-I125 PolarHBondContact O-N 3.31Å; R122-I125 PolarHBondContact O-N 3.49Å; I125-G128 WeakPolarHBondContact O-CA 3.48Å; I125-G128 PolarHBondContact O-N 3.35Å; I125-K129 WeakPolarHBondContact O-CG 3.46Å; I125-K129 PolarHBondContact O-N 3.39Å
126	E	96.9	Very high	96.4	Very high	75 Å²	75	94.8 Å²	94.8	35%	0.35	51%	0.505	S	S	.	.	H	α-helix	trans	-68.8	-44.2	-177.7	-160.8	57.7	-137.5	0	0	112.4	R122 L123 G128 K129 Q130	R122-E126 WeakPolarHBondContact O-CB 3.49Å; R122-E126 PolarHBondContact O-N 2.94Å; L123-E126 PolarHBondContact O-N 3.42Å; E126-G128 PolarHBondContact O-N 2.98Å; E126-K129 WeakPolarHBondContact O-CB 3.15Å; E126-K129 PolarHBondContact O-N 3.17Å; E126-K129 WeakPolarHBondContact OE2-CD 3.28Å; E126-K129 WeakPolarHBondContact OE2-CE 3.23Å; E126-K129 IonicContact OE2-NZ 2.69Å; E126-K129 PolarHBondContact OE2-NZ 2.84Å; E126-Q130 WeakPolarHBondContact O-CB 3.25Å; E126-Q130 VanDerWaalsContact O-CG 3.3Å; E126-Q130 WeakPolarHBondContact O-CG 3.4Å; E126-Q130 PolarHBondContact O-N 2.8Å
127	C	95.8	Very high	96.4	Very high	68 Å²	68	93.6 Å²	93.6	46%	0.459	50%	0.499	S	S	.	.	H	α-helix	trans	-59.8	-34.4	170.2	-67.4	0	0	0	0	111.9	L123 Q130 T131	L123-C127 WeakPolarHBondContact O-CB 3.48Å; L123-C127 PolarHBondContact O-N 2.82Å; L123-C127 PolarHBondContact O-SG 3.48Å; L123-C127 VanDerWaalsContact O-SG 3.32Å; C127-Q130 PolarHBondContact O-N 3.13Å; C127-T131 WeakPolarHBondContact O-CB 3.11Å; C127-T131 PolarHBondContact O-N 2.94Å; C127-T131 PolarHBondContact O-OG1 2.86Å
128	G	97.1	Very high	96.3	Very high	36 Å²	36	95.8 Å²	95.8	37%	0.371	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-44.4	172.9	0	0	0	0	0	113.5	Q124 I125 E126 S132	Q124-G128 PolarHBondContact O-N 3.38Å; I125-G128 WeakPolarHBondContact O-CA 3.48Å; I125-G128 PolarHBondContact O-N 3.35Å; E126-G128 PolarHBondContact O-N 2.98Å; G128-S132 PolarHBondContact O-N 3.31Å; G128-S132 PolarHBondContact O-OG 2.85Å
129	K	96.1	Very high	96.3	Very high	109 Å²	109	94 Å²	94	47%	0.474	51%	0.506	S	S	.	.	H	α-helix	trans	-61.1	-50	172.1	-65.3	176.3	-162.2	159.4	0	111	I125 E126 T131 S132 T133	I125-K129 WeakPolarHBondContact O-CG 3.46Å; I125-K129 PolarHBondContact O-N 3.39Å; E126-K129 WeakPolarHBondContact O-CB 3.15Å; E126-K129 PolarHBondContact O-N 3.17Å; E126-K129 WeakPolarHBondContact OE2-CD 3.28Å; E126-K129 WeakPolarHBondContact OE2-CE 3.23Å; E126-K129 IonicContact OE2-NZ 2.69Å; E126-K129 PolarHBondContact OE2-NZ 2.84Å; K129-T131 VanDerWaalsContact C-N 3.3Å; K129-T131 PolarHBondContact O-N 3.22Å; K129-S132 CarbonylContact O-C 3.59Å; K129-S132 WeakPolarHBondContact O-CA 3.39Å; K129-S132 WeakPolarHBondContact O-CB 3.21Å; K129-S132 PolarHBondContact O-N 2.93Å; K129-T133 PolarHBondContact O-N 2.83Å; K129-T133 PolarHBondContact O-OG1 2.98Å
130	Q	95.6	Very high	96.3	Very high	108 Å²	108	92.9 Å²	92.9	51%	0.505	50%	0.504	S	S	.	.	H	α-helix	trans	-59	-41.8	-178.3	-72.3	172.8	3.3	0	0	111.5	E126 C127 T133 A134	E126-Q130 WeakPolarHBondContact O-CB 3.25Å; E126-Q130 VanDerWaalsContact O-CG 3.3Å; E126-Q130 WeakPolarHBondContact O-CG 3.4Å; E126-Q130 PolarHBondContact O-N 2.8Å; C127-Q130 PolarHBondContact O-N 3.13Å; Q130-T133 VanDerWaalsContact CA-OG1 3.31Å; Q130-T133 WeakPolarHBondContact CA-OG1 3.26Å; Q130-T133 PolarHBondContact O-N 2.92Å; Q130-T133 PolarHBondContact O-OG1 3.34Å; Q130-A134 WeakPolarHBondContact O-CB 3.33Å; Q130-A134 PolarHBondContact O-N 3.46Å
131	T	96.3	Very high	96.3	Very high	97 Å²	97	93.5 Å²	93.5	60%	0.595	51%	0.507	S	S	*	.	H	α-helix	trans	-62.2	-43.9	173.9	-54.7	0	0	0	0	111.6	C127 K129 A134 C135	C127-T131 WeakPolarHBondContact O-CB 3.11Å; C127-T131 PolarHBondContact O-N 2.94Å; C127-T131 PolarHBondContact O-OG1 2.86Å; K129-T131 VanDerWaalsContact C-N 3.3Å; K129-T131 PolarHBondContact O-N 3.22Å; T131-A134 PolarHBondContact O-N 3.46Å; T131-C135 WeakPolarHBondContact O-CB 3.38Å; T131-C135 PolarHBondContact O-N 3.19Å
132	S	95.3	Very high	96.3	Very high	81 Å²	81	95.4 Å²	95.4	57%	0.566	52%	0.517	S	S	*	.	H	α-helix	trans	-63.3	-40.4	175.4	-57.6	0	0	0	0	112.4	G128 K129 C135 F136	G128-S132 PolarHBondContact O-N 3.31Å; G128-S132 PolarHBondContact O-OG 2.85Å; K129-S132 CarbonylContact O-C 3.59Å; K129-S132 WeakPolarHBondContact O-CA 3.39Å; K129-S132 WeakPolarHBondContact O-CB 3.21Å; K129-S132 PolarHBondContact O-N 2.93Å; S132-C135 PolarHBondContact O-N 3.31Å; S132-F136 PolarHBondContact O-N 3.25Å
133	T	95.1	Very high	96.2	Very high	77 Å²	77	90.3 Å²	90.3	47%	0.472	51%	0.506	S	S	.	.	H	α-helix	trans	-70.1	-34.3	176.5	52.4	0	0	0	0	112.7	K129 Q130 F136 N137	K129-T133 PolarHBondContact O-N 2.83Å; K129-T133 PolarHBondContact O-OG1 2.98Å; Q130-T133 VanDerWaalsContact CA-OG1 3.31Å; Q130-T133 WeakPolarHBondContact CA-OG1 3.26Å; Q130-T133 PolarHBondContact O-N 2.92Å; Q130-T133 PolarHBondContact O-OG1 3.34Å; T133-F136 PolarHBondContact O-N 3.28Å; T133-N137 WeakPolarHBondContact O-CB 3.36Å; T133-N137 PolarHBondContact O-N 2.93Å; T133-N137 PolarHBondContact O-ND2 2.87Å; T133-N137 PolarHBondContact O-OD1 3.33Å
134	A	95.7	Very high	96.3	Very high	45 Å²	45	90 Å²	90	37%	0.372	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-49.7	173.1	0	0	0	0	0	110.7	Q130 T131 F136 N137 D138	Q130-A134 WeakPolarHBondContact O-CB 3.33Å; Q130-A134 PolarHBondContact O-N 3.46Å; T131-A134 PolarHBondContact O-N 3.46Å; A134-F136 VanDerWaalsContact C-N 3.3Å; A134-F136 PolarHBondContact O-N 3.32Å; A134-N137 WeakPolarHBondContact O-CB 3.45Å; A134-N137 PolarHBondContact O-N 2.9Å; A134-D138 VanDerWaalsContact O-CG 3.3Å; A134-D138 PolarHBondContact O-N 3.22Å
135	C	96.1	Very high	96.3	Very high	74 Å²	74	85.1 Å²	85.1	50%	0.5	49%	0.491	S	S	.	.	H	α-helix	trans	-57.5	-39.8	175.6	-175.9	0	0	0	0	112.7	T131 S132 D138 C139	T131-C135 WeakPolarHBondContact O-CB 3.38Å; T131-C135 PolarHBondContact O-N 3.19Å; S132-C135 PolarHBondContact O-N 3.31Å; C135-D138 PolarHBondContact O-N 2.8Å; C135-C139 PolarHBondContact O-N 2.89Å; C135-C139 PolarHBondContact O-SG 2.87Å
136	F	95.8	Very high	96.3	Very high	138 Å²	138	85.8 Å²	85.8	61%	0.605	49%	0.492	S	S	*	.	H	α-helix	trans	-64.5	-45.2	173.2	179.2	-98.4	0	0	0	112.2	S132 T133 A134 D138 C139 V140	S132-F136 PolarHBondContact O-N 3.25Å; T133-F136 PolarHBondContact O-N 3.28Å; A134-F136 VanDerWaalsContact C-N 3.3Å; A134-F136 PolarHBondContact O-N 3.32Å; F136-D138 VanDerWaalsContact C-N 3.34Å; F136-D138 PolarHBondContact O-N 3.39Å; F136-C139 WeakPolarHBondContact O-CB 3.38Å; F136-C139 PolarHBondContact O-N 2.56Å; F136-V140 HydrophobicContact CD1-CG2 4.18Å; F136-V140 HydrophobicContact CE1-CG2 3.71Å; F136-V140 HydrophobicContact CE2-CG2 4.25Å; F136-V140 HydrophobicContact CZ-CG2 3.75Å; F136-V140 WeakPolarHBondContact O-CG2 3.32Å; F136-V140 PolarHBondContact O-N 2.73Å
137	N	95.5	Very high	96.3	Very high	97 Å²	97	87.1 Å²	87.1	52%	0.519	50%	0.501	S	S	.	.	H	α-helix	trans	-62.6	-39.6	177.3	-68.4	-13.9	0	0	0	111.9	T133 A134 V140 F141	T133-N137 WeakPolarHBondContact O-CB 3.36Å; T133-N137 PolarHBondContact O-N 2.93Å; T133-N137 PolarHBondContact O-ND2 2.87Å; T133-N137 PolarHBondContact O-OD1 3.33Å; A134-N137 WeakPolarHBondContact O-CB 3.45Å; A134-N137 PolarHBondContact O-N 2.9Å; N137-V140 PolarHBondContact O-N 3.11Å; N137-F141 WeakPolarHBondContact O-CB 3.49Å; N137-F141 PolarHBondContact O-N 3.2Å
138	D	95.8	Very high	96.4	Very high	104 Å²	104	87.2 Å²	87.2	56%	0.556	50%	0.497	S	S	*	.	H	α-helix	trans	-64.1	-41.8	175.4	-66.3	-27.5	0	0	0	111.2	A134 C135 F136 F141 C142	A134-D138 VanDerWaalsContact O-CG 3.3Å; A134-D138 PolarHBondContact O-N 3.22Å; C135-D138 PolarHBondContact O-N 2.8Å; F136-D138 VanDerWaalsContact C-N 3.34Å; F136-D138 PolarHBondContact O-N 3.39Å; D138-F141 PolarHBondContact O-N 3.04Å; D138-C142 WeakPolarHBondContact O-CB 3.37Å; D138-C142 PolarHBondContact O-N 2.87Å; D138-C142 PolarHBondContact O-SG 2.94Å
139	C	96	Very high	96.4	Very high	77 Å²	77	89.7 Å²	89.7	52%	0.52	50%	0.499	S	S	.	.	H	α-helix	trans	-61.5	-43.5	173.1	-68.7	0	0	0	0	112.1	C135 F136 C142 S143	C135-C139 PolarHBondContact O-N 2.89Å; C135-C139 PolarHBondContact O-SG 2.87Å; F136-C139 WeakPolarHBondContact O-CB 3.38Å; F136-C139 PolarHBondContact O-N 2.56Å; C139-C142 PolarHBondContact O-N 2.8Å; C139-S143 PolarHBondContact O-N 2.73Å
140	V	97.1	Very high	96.5	Very high	57 Å²	57	89.5 Å²	89.5	35%	0.345	50%	0.5	S	S	.	.	H	α-helix	trans	-64.8	-41.6	175.9	169.4	0	0	0	0	111	F136 N137 S143 I144	F136-V140 HydrophobicContact CD1-CG2 4.18Å; F136-V140 HydrophobicContact CE1-CG2 3.71Å; F136-V140 HydrophobicContact CE2-CG2 4.25Å; F136-V140 HydrophobicContact CZ-CG2 3.75Å; F136-V140 WeakPolarHBondContact O-CG2 3.32Å; F136-V140 PolarHBondContact O-N 2.73Å; N137-V140 PolarHBondContact O-N 3.11Å; V140-S143 PolarHBondContact O-N 3.19Å; V140-I144 HydrophobicContact CG1-CD1 3.74Å; V140-I144 HydrophobicContact CG1-CG1 4.38Å; V140-I144 WeakPolarHBondContact O-CG1 3.47Å; V140-I144 PolarHBondContact O-N 3.04Å
141	F	97.3	Very high	96.6	Very high	160 Å²	160	88.2 Å²	88.2	70%	0.702	50%	0.496	S	S	*	.	H	α-helix	trans	-64.7	-40.3	177.6	-160.3	-85.3	0	0	0	111.8	N137 D138 I144 G145	N137-F141 WeakPolarHBondContact O-CB 3.49Å; N137-F141 PolarHBondContact O-N 3.2Å; D138-F141 PolarHBondContact O-N 3.04Å; F141-I144 PolarHBondContact O-N 2.78Å; F141-G145 PolarHBondContact O-N 3.2Å
142	C	96.4	Very high	96.6	Very high	82 Å²	82	88.1 Å²	88.1	55%	0.554	49%	0.487	S	S	*	.	H	α-helix	trans	-60	-45.2	171.8	-68.6	0	0	0	0	112	D138 C139 G145 Q146	D138-C142 WeakPolarHBondContact O-CB 3.37Å; D138-C142 PolarHBondContact O-N 2.87Å; D138-C142 PolarHBondContact O-SG 2.94Å; C139-C142 PolarHBondContact O-N 2.8Å; C142-G145 PolarHBondContact O-N 2.85Å; C142-Q146 WeakPolarHBondContact O-CG 3.47Å; C142-Q146 PolarHBondContact O-N 2.81Å
143	S	97.4	Very high	96.8	Very high	55 Å²	55	87.5 Å²	87.5	39%	0.385	48%	0.478	S	S	.	.	H	α-helix	trans	-66.2	-40.6	178.8	178.7	0	0	0	0	112.7	C139 V140 G145 Q146 L147	C139-S143 PolarHBondContact O-N 2.73Å; V140-S143 PolarHBondContact O-N 3.19Å; S143-G145 VanDerWaalsContact C-N 3.33Å; S143-G145 PolarHBondContact O-N 3.47Å; S143-Q146 PolarHBondContact O-N 3.02Å; S143-L147 WeakPolarHBondContact O-CG 3.37Å; S143-L147 PolarHBondContact O-N 2.98Å
144	I	97.1	Very high	96.9	Very high	102 Å²	102	89.6 Å²	89.6	52%	0.523	48%	0.482	S	S	.	.	H	α-helix	trans	-62.8	-41	172.8	-69	168.1	0	0	0	110.8	V140 F141 L147 D148	V140-I144 HydrophobicContact CG1-CD1 3.74Å; V140-I144 HydrophobicContact CG1-CG1 4.38Å; V140-I144 WeakPolarHBondContact O-CG1 3.47Å; V140-I144 PolarHBondContact O-N 3.04Å; F141-I144 PolarHBondContact O-N 2.78Å; I144-L147 PolarHBondContact O-N 3.27Å; I144-D148 WeakPolarHBondContact O-CB 3.2Å; I144-D148 PolarHBondContact O-N 2.86Å
145	G	97.1	Very high	97	Very high	39 Å²	39	92.5 Å²	92.5	40%	0.402	49%	0.486	S	S	.	.	H	α-helix	trans	-63.6	-37.4	175.9	0	0	0	0	0	113.5	F141 C142 S143 Q149	F141-G145 PolarHBondContact O-N 3.2Å; C142-G145 PolarHBondContact O-N 2.85Å; S143-G145 VanDerWaalsContact C-N 3.33Å; S143-G145 PolarHBondContact O-N 3.47Å; G145-Q149 WeakPolarHBondContact O-CB 3.37Å; G145-Q149 PolarHBondContact O-N 2.98Å
146	Q	97.1	Very high	97	Very high	121 Å²	121	95 Å²	95	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-63.6	-50	172.7	-73.5	168.2	-27.7	0	0	111.2	C142 S143 D148 Q149 E150	C142-Q146 WeakPolarHBondContact O-CG 3.47Å; C142-Q146 PolarHBondContact O-N 2.81Å; S143-Q146 PolarHBondContact O-N 3.02Å; Q146-D148 PolarHBondContact O-N 3.29Å; Q146-Q149 WeakPolarHBondContact O-CB 3.47Å; Q146-Q149 PolarHBondContact O-N 2.73Å; Q146-Q149 VanDerWaalsContact O-N 3.12Å; Q146-E150 WeakPolarHBondContact O-CG 3.33Å; Q146-E150 PolarHBondContact O-N 3.19Å
147	L	97.7	Very high	97.1	Very high	103 Å²	103	92.8 Å²	92.8	54%	0.539	48%	0.483	S	S	.	.	H	α-helix	trans	-63.2	-37.1	179.8	-69.9	168.7	0	0	0	113	S143 I144 L151	S143-L147 WeakPolarHBondContact O-CG 3.37Å; S143-L147 PolarHBondContact O-N 2.98Å; I144-L147 PolarHBondContact O-N 3.27Å; L147-L151 WeakPolarHBondContact O-CB 3.32Å; L147-L151 PolarHBondContact O-N 3.28Å
148	D	97.2	Very high	97.2	Very high	70 Å²	70	93.2 Å²	93.2	37%	0.374	48%	0.482	S	S	.	.	H	α-helix	trans	-70	-33.9	174	176.5	47.9	0	0	0	112.1	I144 Q146 K152	I144-D148 WeakPolarHBondContact O-CB 3.2Å; I144-D148 PolarHBondContact O-N 2.86Å; Q146-D148 PolarHBondContact O-N 3.29Å; D148-K152 WeakPolarHBondContact O-CB 3.2Å; D148-K152 WeakPolarHBondContact O-CD 3.47Å; D148-K152 WeakPolarHBondContact O-CG 3.28Å; D148-K152 PolarHBondContact O-N 2.63Å; D148-K152 WeakPolarHBondContact OD1-CE 3.21Å; D148-K152 IonicContact OD1-NZ 3.18Å; D148-K152 WeakPolarHBondContact OD2-CE 3.24Å; D148-K152 IonicContact OD2-NZ 2.79Å; D148-K152 PolarHBondContact OD2-NZ 3.23Å
149	Q	96.8	Very high	97.4	Very high	87 Å²	87	94.8 Å²	94.8	41%	0.407	48%	0.484	S	S	.	.	H	α-helix	trans	-67.2	-46.8	172.5	-177	56.9	38.6	0	0	111.9	G145 Q146 L151 K152 D153	G145-Q149 WeakPolarHBondContact O-CB 3.37Å; G145-Q149 PolarHBondContact O-N 2.98Å; Q146-Q149 WeakPolarHBondContact O-CB 3.47Å; Q146-Q149 PolarHBondContact O-N 2.73Å; Q146-Q149 VanDerWaalsContact O-N 3.12Å; Q149-L151 VanDerWaalsContact C-N 3.33Å; Q149-L151 PolarHBondContact O-N 3.01Å; Q149-K152 WeakPolarHBondContact O-CB 3.31Å; Q149-K152 PolarHBondContact O-N 2.99Å; Q149-K152 VanDerWaalsContact O-N 3.15Å; Q149-D153 VanDerWaalsContact NE2-CG 3.32Å; Q149-D153 PolarHBondContact NE2-OD1 3.45Å; Q149-D153 PolarHBondContact NE2-OD2 3.05Å; Q149-D153 PolarHBondContact O-N 2.7Å
150	E	97.5	Very high	97.4	Very high	105 Å²	105	96 Å²	96	49%	0.491	48%	0.481	S	S	.	.	H	α-helix	trans	-58.3	-44.8	173.3	-71.2	174.1	173.8	0	0	111.1	Q146 K152 D153 H154	Q146-E150 WeakPolarHBondContact O-CG 3.33Å; Q146-E150 PolarHBondContact O-N 3.19Å; E150-K152 VanDerWaalsContact C-N 3.32Å; E150-K152 PolarHBondContact O-N 3.11Å; E150-D153 PolarHBondContact O-N 3.32Å; E150-H154 WeakPolarHBondContact O-CB 3.42Å; E150-H154 PolarHBondContact O-CD2 3.4Å; E150-H154 PolarHBondContact O-N 3.49Å
151	L	97.7	Very high	97.4	Very high	82 Å²	82	97.5 Å²	97.5	43%	0.429	49%	0.487	S	S	.	.	H	α-helix	trans	-61.1	-37.8	175.6	-177.6	65.8	0	0	0	112.5	L147 Q149 K155	L147-L151 WeakPolarHBondContact O-CB 3.32Å; L147-L151 PolarHBondContact O-N 3.28Å; Q149-L151 VanDerWaalsContact C-N 3.33Å; Q149-L151 PolarHBondContact O-N 3.01Å; L151-K155 HydrophobicContact CD1-CD 4.49Å; L151-K155 HydrophobicContact CG-CD 4.27Å; L151-K155 WeakPolarHBondContact O-CB 3.4Å; L151-K155 WeakPolarHBondContact O-CD 3.02Å; L151-K155 WeakPolarHBondContact O-CG 3.37Å; L151-K155 PolarHBondContact O-N 2.83Å; L151-K155 VanDerWaalsContact O-N 3.08Å
152	K	98	Very high	97.5	Very high	94 Å²	94	94.6 Å²	94.6	41%	0.409	48%	0.475	S	S	.	.	H	α-helix	trans	-66.7	-41.2	174	-75.8	159	179.7	164	0	111.6	D148 Q149 E150 K155 K156	D148-K152 WeakPolarHBondContact O-CB 3.2Å; D148-K152 WeakPolarHBondContact O-CD 3.47Å; D148-K152 WeakPolarHBondContact O-CG 3.28Å; D148-K152 PolarHBondContact O-N 2.63Å; D148-K152 WeakPolarHBondContact OD1-CE 3.21Å; D148-K152 IonicContact OD1-NZ 3.18Å; D148-K152 WeakPolarHBondContact OD2-CE 3.24Å; D148-K152 IonicContact OD2-NZ 2.79Å; D148-K152 PolarHBondContact OD2-NZ 3.23Å; Q149-K152 WeakPolarHBondContact O-CB 3.31Å; Q149-K152 PolarHBondContact O-N 2.99Å; Q149-K152 VanDerWaalsContact O-N 3.15Å; E150-K152 VanDerWaalsContact C-N 3.32Å; E150-K152 PolarHBondContact O-N 3.11Å; K152-K155 PolarHBondContact O-N 2.83Å; K152-K156 WeakPolarHBondContact O-CG 3.5Å; K152-K156 PolarHBondContact O-N 3.04Å
153	D	97.7	Very high	97.5	Very high	68 Å²	68	97.4 Å²	97.4	36%	0.364	48%	0.478	S	S	.	.	H	α-helix	trans	-75.2	-38.6	-178.1	-69.2	-28	0	0	0	112.2	Q149 E150 K155 K156 L157	Q149-D153 VanDerWaalsContact NE2-CG 3.32Å; Q149-D153 PolarHBondContact NE2-OD1 3.45Å; Q149-D153 PolarHBondContact NE2-OD2 3.05Å; Q149-D153 PolarHBondContact O-N 2.7Å; E150-D153 PolarHBondContact O-N 3.32Å; D153-K155 VanDerWaalsContact C-N 3.32Å; D153-K155 PolarHBondContact O-N 3.14Å; D153-K156 WeakPolarHBondContact O-CB 3.45Å; D153-K156 PolarHBondContact O-N 3.1Å; D153-K156 VanDerWaalsContact O-N 3.12Å; D153-K156 WeakPolarHBondContact OD1-CD 3.47Å; D153-K156 WeakPolarHBondContact OD1-CE 3.35Å; D153-K156 IonicContact OD1-NZ 2.73Å; D153-K156 PolarHBondContact OD1-NZ 3.49Å; D153-L157 PolarHBondContact O-N 2.89Å
154	H	97.2	Very high	97.5	Very high	122 Å²	122	99 Å²	99	57%	0.565	48%	0.48	S	S	*	.	H	α-helix	trans	-60	-39.1	167.5	-73.1	-55.6	0	0	0	112.2	E150 K156 L157 Q158	E150-H154 WeakPolarHBondContact O-CB 3.42Å; E150-H154 PolarHBondContact O-CD2 3.4Å; E150-H154 PolarHBondContact O-N 3.49Å; H154-K156 VanDerWaalsContact C-N 3.33Å; H154-K156 PolarHBondContact O-N 3.38Å; H154-L157 PolarHBondContact O-N 2.89Å; H154-Q158 WeakPolarHBondContact O-CB 3.36Å; H154-Q158 PolarHBondContact O-N 2.9Å
155	K	98.1	Very high	97.6	Very high	106 Å²	106	98.9 Å²	98.9	46%	0.461	48%	0.483	S	S	.	.	H	α-helix	trans	-67.4	-28	173.7	-76.7	167.8	-177.3	168.8	0	113.6	L151 K152 D153 K159	L151-K155 HydrophobicContact CD1-CD 4.49Å; L151-K155 HydrophobicContact CG-CD 4.27Å; L151-K155 WeakPolarHBondContact O-CB 3.4Å; L151-K155 WeakPolarHBondContact O-CD 3.02Å; L151-K155 WeakPolarHBondContact O-CG 3.37Å; L151-K155 PolarHBondContact O-N 2.83Å; L151-K155 VanDerWaalsContact O-N 3.08Å; K152-K155 PolarHBondContact O-N 2.83Å; D153-K155 VanDerWaalsContact C-N 3.32Å; D153-K155 PolarHBondContact O-N 3.14Å; K155-K159 WeakPolarHBondContact O-CG 3.14Å; K155-K159 PolarHBondContact O-N 2.95Å
156	K	97.5	Very high	97.6	Very high	125 Å²	125	101.7 Å²	101.7	54%	0.543	49%	0.486	S	S	.	.	H	α-helix	trans	-71.7	-46.1	170.7	-67.2	166.2	-163	167.9	0	110.6	K152 D153 H154 K159 H160	K152-K156 WeakPolarHBondContact O-CG 3.5Å; K152-K156 PolarHBondContact O-N 3.04Å; D153-K156 WeakPolarHBondContact O-CB 3.45Å; D153-K156 PolarHBondContact O-N 3.1Å; D153-K156 VanDerWaalsContact O-N 3.12Å; D153-K156 WeakPolarHBondContact OD1-CD 3.47Å; D153-K156 WeakPolarHBondContact OD1-CE 3.35Å; D153-K156 IonicContact OD1-NZ 2.73Å; D153-K156 PolarHBondContact OD1-NZ 3.49Å; H154-K156 VanDerWaalsContact C-N 3.33Å; H154-K156 PolarHBondContact O-N 3.38Å; K156-K159 PolarHBondContact O-N 2.96Å; K156-H160 PolarHBondContact O-N 2.78Å
157	L	97.7	Very high	97.6	Very high	92 Å²	92	100.6 Å²	100.6	48%	0.482	48%	0.484	S	S	.	.	H	α-helix	trans	-63.2	-43.7	178.7	-179.9	60.1	0	0	0	111.9	D153 H154 K159 H160 L161	D153-L157 PolarHBondContact O-N 2.89Å; H154-L157 PolarHBondContact O-N 2.89Å; L157-K159 VanDerWaalsContact C-N 3.35Å; L157-K159 PolarHBondContact O-N 2.58Å; L157-H160 WeakPolarHBondContact O-CB 3.4Å; L157-H160 PolarHBondContact O-N 2.91Å; L157-H160 VanDerWaalsContact O-N 3.07Å; L157-L161 HydrophobicContact CD1-CD1 4.29Å; L157-L161 HydrophobicContact CD1-CG 4.31Å; L157-L161 HydrophobicContact CG-CD1 4.12Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 3.27Å
158	Q	98	Very high	97.6	Very high	107 Å²	107	100.5 Å²	100.5	50%	0.5	48%	0.484	S	S	.	.	H	α-helix	trans	-54.9	-50.5	172.8	-178.5	-174.5	-18.9	0	0	110.8	H154 H160 L161 E162	H154-Q158 WeakPolarHBondContact O-CB 3.36Å; H154-Q158 PolarHBondContact O-N 2.9Å; Q158-H160 PolarHBondContact O-N 3.16Å; Q158-L161 PolarHBondContact O-N 3.37Å; Q158-E162 HydrophobicContact CG-CG 4.32Å; Q158-E162 WeakPolarHBondContact CG-OE1 3.47Å; Q158-E162 PolarHBondContact NE2-OE1 2.9Å; Q158-E162 WeakPolarHBondContact O-CB 3.35Å; Q158-E162 VanDerWaalsContact O-CG 3.27Å; Q158-E162 WeakPolarHBondContact O-CG 3.49Å; Q158-E162 PolarHBondContact O-N 3.37Å
159	K	97.9	Very high	97.7	Very high	137 Å²	137	99.5 Å²	99.5	60%	0.596	48%	0.482	S	S	*	.	H	α-helix	trans	-66.7	-18.2	177.7	-73.1	179.6	177.3	-171.5	0	114.7	K155 K156 L157 E162 K163	K155-K159 WeakPolarHBondContact O-CG 3.14Å; K155-K159 PolarHBondContact O-N 2.95Å; K156-K159 PolarHBondContact O-N 2.96Å; L157-K159 VanDerWaalsContact C-N 3.35Å; L157-K159 PolarHBondContact O-N 2.58Å; K159-E162 WeakPolarHBondContact CA-OE2 3.44Å; K159-K163 VanDerWaalsContact O-CG 3.31Å; K159-K163 WeakPolarHBondContact O-CG 3.28Å
160	H	97.2	Very high	97.7	Very high	102 Å²	102	99.4 Å²	99.4	47%	0.472	48%	0.484	S	S	.	.	H	α-helix	trans	-79	-47.8	171.7	-174.3	-13.8	0	0	0	110.1	K156 L157 Q158 K163 E164	K156-H160 PolarHBondContact O-N 2.78Å; L157-H160 WeakPolarHBondContact O-CB 3.4Å; L157-H160 PolarHBondContact O-N 2.91Å; L157-H160 VanDerWaalsContact O-N 3.07Å; Q158-H160 PolarHBondContact O-N 3.16Å; H160-K163 WeakPolarHBondContact O-CB 3.41Å; H160-K163 PolarHBondContact O-N 2.94Å; H160-E164 VanDerWaalsContact CE1-CD 3.43Å; H160-E164 IonicContact CE1-OE1 3.34Å; H160-E164 PolarHBondContact CE1-OE1 2.96Å; H160-E164 IonicContact CE1-OE2 2.64Å; H160-E164 IonicContact ND1-OE1 3.19Å; H160-E164 IonicContact ND1-OE2 3.67Å; H160-E164 WeakPolarHBondContact O-CG 3.34Å; H160-E164 PolarHBondContact O-N 2.86Å
161	L	97.6	Very high	97.8	Very high	89 Å²	89	102.6 Å²	102.6	47%	0.466	49%	0.492	S	S	.	.	H	α-helix	trans	-65.4	-39	177.5	-65.8	169.2	0	0	0	111.9	L157 Q158 K163 E164 V165	L157-L161 HydrophobicContact CD1-CD1 4.29Å; L157-L161 HydrophobicContact CD1-CG 4.31Å; L157-L161 HydrophobicContact CG-CD1 4.12Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 3.27Å; Q158-L161 PolarHBondContact O-N 3.37Å; L161-K163 VanDerWaalsContact C-N 3.27Å; L161-K163 PolarHBondContact O-N 3.41Å; L161-E164 PolarHBondContact O-N 3.21Å; L161-V165 WeakPolarHBondContact O-CB 3.45Å; L161-V165 VanDerWaalsContact O-CG2 3.29Å; L161-V165 WeakPolarHBondContact O-CG2 3.49Å; L161-V165 PolarHBondContact O-N 2.83Å
162	E	98	Very high	97.7	Very high	98 Å²	98	104.1 Å²	104.1	46%	0.458	50%	0.5	S	S	.	.	H	α-helix	trans	-58	-39.1	173	-75.9	168.1	170.7	0	0	111.8	Q158 K159 Q166	Q158-E162 HydrophobicContact CG-CG 4.32Å; Q158-E162 WeakPolarHBondContact CG-OE1 3.47Å; Q158-E162 PolarHBondContact NE2-OE1 2.9Å; Q158-E162 WeakPolarHBondContact O-CB 3.35Å; Q158-E162 VanDerWaalsContact O-CG 3.27Å; Q158-E162 WeakPolarHBondContact O-CG 3.49Å; Q158-E162 PolarHBondContact O-N 3.37Å; K159-E162 WeakPolarHBondContact CA-OE2 3.44Å; E162-Q166 WeakPolarHBondContact O-CB 3.32Å; E162-Q166 PolarHBondContact O-N 3.39Å; E162-Q166 VanDerWaalsContact O-N 3.1Å
163	K	97.7	Very high	97.7	Very high	142 Å²	142	103.9 Å²	103.9	62%	0.617	50%	0.503	S	S	*	.	H	α-helix	trans	-71.5	-45.3	174.3	-73.6	175.4	178.3	-170.9	0	112.3	K159 H160 L161 V165 Q166 D167	K159-K163 VanDerWaalsContact O-CG 3.31Å; K159-K163 WeakPolarHBondContact O-CG 3.28Å; H160-K163 WeakPolarHBondContact O-CB 3.41Å; H160-K163 PolarHBondContact O-N 2.94Å; L161-K163 VanDerWaalsContact C-N 3.27Å; L161-K163 PolarHBondContact O-N 3.41Å; K163-V165 VanDerWaalsContact C-N 3.28Å; K163-V165 PolarHBondContact O-N 3.18Å; K163-Q166 CarbonylContact O-C 3.58Å; K163-Q166 WeakPolarHBondContact O-CB 3.25Å; K163-Q166 PolarHBondContact O-N 2.86Å; K163-Q166 VanDerWaalsContact O-N 3.09Å; K163-D167 WeakPolarHBondContact O-CB 3.46Å; K163-D167 VanDerWaalsContact O-CG 3.29Å; K163-D167 PolarHBondContact O-N 2.87Å
164	E	97.8	Very high	97.7	Very high	87 Å²	87	102 Å²	102	41%	0.407	50%	0.5	S	S	.	.	H	α-helix	trans	-61.4	-38.2	177.8	-71.5	-177.3	143.6	0	0	111.8	H160 L161 L168	H160-E164 VanDerWaalsContact CE1-CD 3.43Å; H160-E164 IonicContact CE1-OE1 3.34Å; H160-E164 PolarHBondContact CE1-OE1 2.96Å; H160-E164 IonicContact CE1-OE2 2.64Å; H160-E164 IonicContact ND1-OE1 3.19Å; H160-E164 IonicContact ND1-OE2 3.67Å; H160-E164 WeakPolarHBondContact O-CG 3.34Å; H160-E164 PolarHBondContact O-N 2.86Å; L161-E164 PolarHBondContact O-N 3.21Å; E164-L168 VanDerWaalsContact O-CB 3.23Å; E164-L168 WeakPolarHBondContact O-CB 3.5Å; E164-L168 WeakPolarHBondContact O-CD1 3.27Å; E164-L168 WeakPolarHBondContact O-CG 3.31Å; E164-L168 PolarHBondContact O-N 3.4Å
165	V	97.8	Very high	97.7	Very high	100 Å²	100	100.4 Å²	100.4	61%	0.606	50%	0.499	S	S	*	.	H	α-helix	trans	-65.1	-40.2	173.1	169.5	0	0	0	0	111.3	L161 K163 S169	L161-V165 WeakPolarHBondContact O-CB 3.45Å; L161-V165 VanDerWaalsContact O-CG2 3.29Å; L161-V165 WeakPolarHBondContact O-CG2 3.49Å; L161-V165 PolarHBondContact O-N 2.83Å; K163-V165 VanDerWaalsContact C-N 3.28Å; K163-V165 PolarHBondContact O-N 3.18Å; V165-S169 VanDerWaalsContact O-CB 3.25Å; V165-S169 WeakPolarHBondContact O-CB 3.49Å; V165-S169 PolarHBondContact O-N 2.96Å
166	Q	97.8	Very high	97.7	Very high	99 Å²	99	97.8 Å²	97.8	46%	0.463	49%	0.49	S	S	.	.	H	α-helix	trans	-65.5	-49.5	174.3	-175.9	60.6	41.4	0	0	111.8	E162 K163 L168 S169 D170	E162-Q166 WeakPolarHBondContact O-CB 3.32Å; E162-Q166 PolarHBondContact O-N 3.39Å; E162-Q166 VanDerWaalsContact O-N 3.1Å; K163-Q166 CarbonylContact O-C 3.58Å; K163-Q166 WeakPolarHBondContact O-CB 3.25Å; K163-Q166 PolarHBondContact O-N 2.86Å; K163-Q166 VanDerWaalsContact O-N 3.09Å; Q166-L168 VanDerWaalsContact C-N 3.29Å; Q166-L168 PolarHBondContact O-N 2.95Å; Q166-S169 WeakPolarHBondContact O-CB 3.36Å; Q166-S169 PolarHBondContact O-N 2.9Å; Q166-S169 VanDerWaalsContact O-N 3.09Å; Q166-D170 PolarHBondContact NE2-OD1 2.89Å; Q166-D170 VanDerWaalsContact NE2-OD1 3.08Å; Q166-D170 PolarHBondContact NE2-OD2 2.85Å; Q166-D170 PolarHBondContact O-N 3.18Å
167	D	97.5	Very high	97.7	Very high	97 Å²	97	98.3 Å²	98.3	52%	0.519	49%	0.494	S	S	.	.	H	α-helix	trans	-60.6	-38	178.7	-68.2	-28	0	0	0	111.5	K163 R171	K163-D167 WeakPolarHBondContact O-CB 3.46Å; K163-D167 VanDerWaalsContact O-CG 3.29Å; K163-D167 PolarHBondContact O-N 2.87Å; D167-R171 VanDerWaalsContact O-CB 3.28Å; D167-R171 WeakPolarHBondContact O-CB 3.5Å; D167-R171 WeakPolarHBondContact O-CD 3.3Å; D167-R171 WeakPolarHBondContact O-CG 3.42Å; D167-R171 PolarHBondContact O-N 2.75Å
168	L	97.5	Very high	97.7	Very high	101 Å²	101	100.7 Å²	100.7	53%	0.529	50%	0.503	S	S	.	.	H	α-helix	trans	-71.1	-37.5	174	-72.9	170.3	0	0	0	112.4	E164 Q166 L172	E164-L168 VanDerWaalsContact O-CB 3.23Å; E164-L168 WeakPolarHBondContact O-CB 3.5Å; E164-L168 WeakPolarHBondContact O-CD1 3.27Å; E164-L168 WeakPolarHBondContact O-CG 3.31Å; E164-L168 PolarHBondContact O-N 3.4Å; Q166-L168 VanDerWaalsContact C-N 3.29Å; Q166-L168 PolarHBondContact O-N 2.95Å; L168-L172 VanDerWaalsContact O-CB 3.3Å; L168-L172 WeakPolarHBondContact O-CB 3.48Å; L168-L172 PolarHBondContact O-N 2.84Å
169	S	98.3	Very high	97.7	Very high	50 Å²	50	100.6 Å²	100.6	35%	0.35	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-49.1	173.8	-175.8	0	0	0	0	111.1	V165 Q166 R171 L172 N173	V165-S169 VanDerWaalsContact O-CB 3.25Å; V165-S169 WeakPolarHBondContact O-CB 3.49Å; V165-S169 PolarHBondContact O-N 2.96Å; Q166-S169 WeakPolarHBondContact O-CB 3.36Å; Q166-S169 PolarHBondContact O-N 2.9Å; Q166-S169 VanDerWaalsContact O-N 3.09Å; S169-R171 PolarHBondContact O-N 3.28Å; S169-L172 WeakPolarHBondContact O-CB 3.45Å; S169-L172 PolarHBondContact O-N 2.87Å; S169-N173 WeakPolarHBondContact O-CB 3.48Å; S169-N173 VanDerWaalsContact O-CG 3.27Å; S169-N173 PolarHBondContact O-N 2.79Å; S169-N173 PolarHBondContact O-ND2 3.11Å
170	D	97.8	Very high	97.7	Very high	84 Å²	84	100.8 Å²	100.8	45%	0.449	50%	0.498	S	S	.	.	H	α-helix	trans	-67.2	-36.9	-179.9	-68.9	-28.3	0	0	0	112	Q166 N173 G174	Q166-D170 PolarHBondContact NE2-OD1 2.89Å; Q166-D170 VanDerWaalsContact NE2-OD1 3.08Å; Q166-D170 PolarHBondContact NE2-OD2 2.85Å; Q166-D170 PolarHBondContact O-N 3.18Å; D170-N173 PolarHBondContact O-N 3.28Å; D170-G174 PolarHBondContact O-N 2.95Å
171	R	98.1	Very high	97.8	Very high	172 Å²	172	98.6 Å²	98.6	65%	0.649	49%	0.494	S	S	*	.	H	α-helix	trans	-63.9	-41.4	170.5	-75.4	169.3	64.6	-165.9	-1.1	112.5	D167 S169 G174 V175	D167-R171 VanDerWaalsContact O-CB 3.28Å; D167-R171 WeakPolarHBondContact O-CB 3.5Å; D167-R171 WeakPolarHBondContact O-CD 3.3Å; D167-R171 WeakPolarHBondContact O-CG 3.42Å; D167-R171 PolarHBondContact O-N 2.75Å; S169-R171 PolarHBondContact O-N 3.28Å; R171-G174 PolarHBondContact O-N 3.2Å; R171-V175 WeakPolarHBondContact O-CG2 3.47Å; R171-V175 PolarHBondContact O-N 2.96Å
172	L	97.6	Very high	97.6	Very high	114 Å²	114	97.4 Å²	97.4	60%	0.597	49%	0.493	S	S	*	.	H	α-helix	trans	-63.1	-49.7	175.9	179	62.3	0	0	0	110.5	L168 S169 G174 V175 D176	L168-L172 VanDerWaalsContact O-CB 3.3Å; L168-L172 WeakPolarHBondContact O-CB 3.48Å; L168-L172 PolarHBondContact O-N 2.84Å; S169-L172 WeakPolarHBondContact O-CB 3.45Å; S169-L172 PolarHBondContact O-N 2.87Å; L172-G174 VanDerWaalsContact C-N 3.31Å; L172-G174 PolarHBondContact O-N 3.18Å; L172-V175 PolarHBondContact O-N 2.9Å; L172-D176 WeakPolarHBondContact O-CB 3.43Å; L172-D176 PolarHBondContact O-N 3.24Å
173	N	97	Very high	97.7	Very high	90 Å²	90	97.1 Å²	97.1	48%	0.481	49%	0.492	S	S	.	.	H	α-helix	trans	-57.7	-41.7	176.9	-70.2	-42.1	0	0	0	112.2	S169 D170 D176 Q177	S169-N173 WeakPolarHBondContact O-CB 3.48Å; S169-N173 VanDerWaalsContact O-CG 3.27Å; S169-N173 PolarHBondContact O-N 2.79Å; S169-N173 PolarHBondContact O-ND2 3.11Å; D170-N173 PolarHBondContact O-N 3.28Å; N173-D176 PolarHBondContact O-N 2.73Å; N173-Q177 WeakPolarHBondContact O-CB 3.32Å; N173-Q177 PolarHBondContact O-N 3.05Å
174	G	97.8	Very high	97.6	Very high	29 Å²	29	96.8 Å²	96.8	30%	0.299	49%	0.492	S	S	.	.	H	α-helix	trans	-64.3	-42.8	176.1	0	0	0	0	0	113.5	D170 R171 L172 Q177 Q178	D170-G174 PolarHBondContact O-N 2.95Å; R171-G174 PolarHBondContact O-N 3.2Å; L172-G174 VanDerWaalsContact C-N 3.31Å; L172-G174 PolarHBondContact O-N 3.18Å; G174-Q177 PolarHBondContact O-N 3.18Å; G174-Q178 WeakPolarHBondContact O-CG 3.2Å; G174-Q178 PolarHBondContact O-N 3.15Å
175	V	97.7	Very high	97.6	Very high	88 Å²	88	97.7 Å²	97.7	53%	0.533	50%	0.497	S	S	.	.	H	α-helix	trans	-65.7	-41.5	174.8	169.6	0	0	0	0	111	R171 L172 Q177 Q178 K179	R171-V175 WeakPolarHBondContact O-CG2 3.47Å; R171-V175 PolarHBondContact O-N 2.96Å; L172-V175 PolarHBondContact O-N 2.9Å; V175-Q177 VanDerWaalsContact C-N 3.33Å; V175-Q177 PolarHBondContact O-N 3.2Å; V175-Q178 PolarHBondContact O-N 2.93Å; V175-K179 VanDerWaalsContact O-CB 3.31Å; V175-K179 WeakPolarHBondContact O-CB 3.3Å; V175-K179 PolarHBondContact O-N 2.78Å
176	D	98	Very high	97.5	Very high	51 Å²	51	100.4 Å²	100.4	27%	0.273	50%	0.497	S	S	.	.	H	α-helix	trans	-68	-32.9	179	-131.9	33.1	0	0	0	111.8	L172 N173 R180	L172-D176 WeakPolarHBondContact O-CB 3.43Å; L172-D176 PolarHBondContact O-N 3.24Å; N173-D176 PolarHBondContact O-N 2.73Å; D176-R180 WeakPolarHBondContact O-CD 3.31Å; D176-R180 WeakPolarHBondContact O-CG 3.46Å; D176-R180 PolarHBondContact O-N 3.25Å; D176-R180 IonicContact OD2-CZ 3.75Å; D176-R180 IonicContact OD2-NE 3.91Å; D176-R180 IonicContact OD2-NH2 2.77Å; D176-R180 PolarHBondContact OD2-NH2 3.17Å
177	Q	97.2	Very high	97.6	Very high	136 Å²	136	100.4 Å²	100.4	64%	0.636	50%	0.504	S	S	*	.	H	α-helix	trans	-67.2	-48.5	170.5	-174.6	176.8	3.6	0	0	111.8	N173 G174 V175 K179 R180 S181	N173-Q177 WeakPolarHBondContact O-CB 3.32Å; N173-Q177 PolarHBondContact O-N 3.05Å; G174-Q177 PolarHBondContact O-N 3.18Å; V175-Q177 VanDerWaalsContact C-N 3.33Å; V175-Q177 PolarHBondContact O-N 3.2Å; Q177-K179 VanDerWaalsContact C-N 3.31Å; Q177-K179 PolarHBondContact O-N 2.98Å; Q177-R180 PolarHBondContact O-N 3.38Å; Q177-S181 PolarHBondContact O-N 2.84Å; Q177-S181 PolarHBondContact O-OG 2.92Å
178	Q	97.7	Very high	97.6	Very high	141 Å²	141	101.7 Å²	101.7	66%	0.659	50%	0.501	S	S	*	.	H	α-helix	trans	-58.9	-43.1	176.7	-74.6	177.5	-4.1	0	0	111.8	G174 V175 S181 S182	G174-Q178 WeakPolarHBondContact O-CG 3.2Å; G174-Q178 PolarHBondContact O-N 3.15Å; V175-Q178 PolarHBondContact O-N 2.93Å; Q178-S181 PolarHBondContact O-N 3.42Å; Q178-S182 PolarHBondContact O-N 3.08Å; Q178-S182 PolarHBondContact O-OG 3.43Å
179	K	97.8	Very high	97.6	Very high	105 Å²	105	99.9 Å²	99.9	46%	0.457	49%	0.494	S	S	.	.	H	α-helix	trans	-56	-54	173.4	176.5	-176.7	165.7	-171.4	0	111	V175 Q177 S181 S182 E183	V175-K179 VanDerWaalsContact O-CB 3.31Å; V175-K179 WeakPolarHBondContact O-CB 3.3Å; V175-K179 PolarHBondContact O-N 2.78Å; Q177-K179 VanDerWaalsContact C-N 3.31Å; Q177-K179 PolarHBondContact O-N 2.98Å; K179-S181 VanDerWaalsContact C-N 3.29Å; K179-S181 PolarHBondContact O-N 3.07Å; K179-S182 PolarHBondContact O-N 2.83Å; K179-S182 VanDerWaalsContact O-N 3.11Å; K179-S182 PolarHBondContact O-OG 3.1Å; K179-E183 WeakPolarHBondContact CE-OE1 3.33Å; K179-E183 HydrophobicContact CG-CG 4.31Å; K179-E183 IonicContact NZ-OE1 3.11Å; K179-E183 WeakPolarHBondContact O-CB 3.43Å; K179-E183 WeakPolarHBondContact O-CG 3.48Å; K179-E183 PolarHBondContact O-N 2.78Å
180	R	98.2	Very high	97.6	Very high	141 Å²	141	103.2 Å²	103.2	53%	0.532	50%	0.502	S	S	.	.	H	α-helix	trans	-58.9	-38.1	179.3	-70.7	167.2	-159.1	-173.4	9	112.6	D176 Q177 Q184	D176-R180 WeakPolarHBondContact O-CD 3.31Å; D176-R180 WeakPolarHBondContact O-CG 3.46Å; D176-R180 PolarHBondContact O-N 3.25Å; D176-R180 IonicContact OD2-CZ 3.75Å; D176-R180 IonicContact OD2-NE 3.91Å; D176-R180 IonicContact OD2-NH2 2.77Å; D176-R180 PolarHBondContact OD2-NH2 3.17Å; Q177-R180 PolarHBondContact O-N 3.38Å; R180-Q184 WeakPolarHBondContact O-CB 3.38Å; R180-Q184 VanDerWaalsContact O-CG 3.23Å; R180-Q184 WeakPolarHBondContact O-CG 3.36Å; R180-Q184 PolarHBondContact O-N 3.44Å
181	S	98	Very high	97.5	Very high	56 Å²	56	102 Å²	102	39%	0.392	50%	0.501	S	S	.	.	H	α-helix	trans	-62.8	-49.9	173.1	-67.7	0	0	0	0	111.7	Q177 Q178 K179 E183 Q184 E185	Q177-S181 PolarHBondContact O-N 2.84Å; Q177-S181 PolarHBondContact O-OG 2.92Å; Q178-S181 PolarHBondContact O-N 3.42Å; K179-S181 VanDerWaalsContact C-N 3.29Å; K179-S181 PolarHBondContact O-N 3.07Å; S181-E183 VanDerWaalsContact C-N 3.32Å; S181-E183 PolarHBondContact O-N 2.77Å; S181-Q184 PolarHBondContact O-N 2.75Å; S181-E185 WeakPolarHBondContact O-CG 3.39Å; S181-E185 PolarHBondContact O-N 2.91Å
182	S	95.3	Very high	97.5	Very high	65 Å²	65	98.6 Å²	98.6	46%	0.455	49%	0.492	S	S	.	.	H	α-helix	trans	-65.3	-32.7	178.6	67.8	0	0	0	0	113.4	Q178 K179 E185 Y186	Q178-S182 PolarHBondContact O-N 3.08Å; Q178-S182 PolarHBondContact O-OG 3.43Å; K179-S182 PolarHBondContact O-N 2.83Å; K179-S182 VanDerWaalsContact O-N 3.11Å; K179-S182 PolarHBondContact O-OG 3.1Å; S182-E185 PolarHBondContact O-N 2.95Å; S182-Y186 VanDerWaalsContact O-CB 3.27Å; S182-Y186 WeakPolarHBondContact O-CB 3.31Å; S182-Y186 PolarHBondContact O-N 2.89Å
183	E	98.2	Very high	97.5	Very high	92 Å²	92	98.4 Å²	98.4	43%	0.43	49%	0.491	S	S	.	.	H	α-helix	trans	-66.9	-41.3	173.1	-73.9	173.8	155.5	0	0	111.4	K179 S181 Y186 V187	K179-E183 WeakPolarHBondContact CE-OE1 3.33Å; K179-E183 HydrophobicContact CG-CG 4.31Å; K179-E183 IonicContact NZ-OE1 3.11Å; K179-E183 WeakPolarHBondContact O-CB 3.43Å; K179-E183 WeakPolarHBondContact O-CG 3.48Å; K179-E183 PolarHBondContact O-N 2.78Å; S181-E183 VanDerWaalsContact C-N 3.32Å; S181-E183 PolarHBondContact O-N 2.77Å; E183-Y186 PolarHBondContact O-N 2.9Å; E183-V187 WeakPolarHBondContact O-CB 3.34Å; E183-V187 VanDerWaalsContact O-CG2 3.3Å; E183-V187 WeakPolarHBondContact O-CG2 3.39Å; E183-V187 PolarHBondContact O-N 3.01Å
184	Q	97.3	Very high	97.5	Very high	134 Å²	134	100 Å²	100	63%	0.626	50%	0.496	S	S	*	.	H	α-helix	trans	-65.3	-41.4	174.5	-73.5	169.5	13.3	0	0	112.2	R180 S181 V187 R188	R180-Q184 WeakPolarHBondContact O-CB 3.38Å; R180-Q184 VanDerWaalsContact O-CG 3.23Å; R180-Q184 WeakPolarHBondContact O-CG 3.36Å; R180-Q184 PolarHBondContact O-N 3.44Å; S181-Q184 PolarHBondContact O-N 2.75Å; Q184-V187 PolarHBondContact O-N 2.85Å; Q184-R188 WeakPolarHBondContact O-CB 3.46Å; Q184-R188 PolarHBondContact O-N 3.03Å
185	E	96.8	Very high	97.5	Very high	107 Å²	107	102.4 Å²	102.4	50%	0.5	50%	0.502	S	S	.	.	H	α-helix	trans	-65	-43.8	175.2	-68.8	-175.8	147.1	0	0	111.9	S181 S182 R188 V189	S181-E185 WeakPolarHBondContact O-CG 3.39Å; S181-E185 PolarHBondContact O-N 2.91Å; S182-E185 PolarHBondContact O-N 2.95Å; E185-R188 PolarHBondContact O-N 3.24Å; E185-V189 WeakPolarHBondContact O-CB 3.14Å; E185-V189 WeakPolarHBondContact O-CG2 3.22Å; E185-V189 PolarHBondContact O-N 3.24Å
186	Y	96.8	Very high	97.5	Very high	157 Å²	157	103.1 Å²	103.1	62%	0.616	50%	0.502	S	S	*	.	H	α-helix	trans	-61.5	-43	175.2	175.7	-109	0	0	0	112.3	S182 E183 K190	S182-Y186 VanDerWaalsContact O-CB 3.27Å; S182-Y186 WeakPolarHBondContact O-CB 3.31Å; S182-Y186 PolarHBondContact O-N 2.89Å; E183-Y186 PolarHBondContact O-N 2.9Å; Y186-K190 HydrophobicContact CE1-CD 4.47Å; Y186-K190 WeakPolarHBondContact O-CB 3.38Å; Y186-K190 PolarHBondContact O-N 2.82Å
187	V	98.4	Very high	97.5	Very high	99 Å²	99	109 Å²	109	60%	0.6	52%	0.52	S	S	*	.	H	α-helix	trans	-63.7	-43.2	175.4	168.2	0	0	0	0	111.4	E183 Q184 K190 S191	E183-V187 WeakPolarHBondContact O-CB 3.34Å; E183-V187 VanDerWaalsContact O-CG2 3.3Å; E183-V187 WeakPolarHBondContact O-CG2 3.39Å; E183-V187 PolarHBondContact O-N 3.01Å; Q184-V187 PolarHBondContact O-N 2.85Å; V187-K190 PolarHBondContact O-N 2.82Å; V187-S191 PolarHBondContact O-N 2.84Å
188	R	98.1	Very high	97.5	Very high	123 Å²	123	105.3 Å²	105.3	46%	0.464	51%	0.507	S	S	.	.	H	α-helix	trans	-61.2	-55	177.2	-175.6	-174.3	66.4	-114	-0.2	111.4	Q184 E185 K190 S191 E192	Q184-R188 WeakPolarHBondContact O-CB 3.46Å; Q184-R188 PolarHBondContact O-N 3.03Å; E185-R188 PolarHBondContact O-N 3.24Å; R188-K190 PolarHBondContact O-N 2.9Å; R188-S191 WeakPolarHBondContact O-CB 3.37Å; R188-S191 PolarHBondContact O-N 2.97Å; R188-E192 WeakPolarHBondContact CD-OE1 3.38Å; R188-E192 VanDerWaalsContact CG-OE1 3.28Å; R188-E192 WeakPolarHBondContact CG-OE1 3.33Å; R188-E192 IonicContact NE-OE1 3.37Å; R188-E192 WeakPolarHBondContact O-CG 3.38Å; R188-E192 PolarHBondContact O-N 3.34Å
189	V	97.3	Very high	97.5	Very high	63 Å²	63	103.8 Å²	103.8	38%	0.382	50%	0.5	S	S	.	.	H	α-helix	trans	-61.6	-34.2	179.6	172.8	0	0	0	0	111.4	E185 E192 L193	E185-V189 WeakPolarHBondContact O-CB 3.14Å; E185-V189 WeakPolarHBondContact O-CG2 3.22Å; E185-V189 PolarHBondContact O-N 3.24Å; V189-E192 PolarHBondContact O-N 3.46Å; V189-L193 HydrophobicContact CG1-CD1 3.99Å; V189-L193 HydrophobicContact CG1-CG 4.35Å; V189-L193 WeakPolarHBondContact O-CB 3.28Å; V189-L193 VanDerWaalsContact O-CG 3.26Å; V189-L193 WeakPolarHBondContact O-CG 3.12Å; V189-L193 PolarHBondContact O-N 2.77Å
190	K	97.6	Very high	97.4	Very high	120 Å²	120	106.2 Å²	106.2	52%	0.522	51%	0.507	S	S	.	.	H	α-helix	trans	-66.9	-36.3	174.1	-175.3	178	176.4	-174.3	0	112.8	Y186 V187 R188 Q194	Y186-K190 HydrophobicContact CE1-CD 4.47Å; Y186-K190 WeakPolarHBondContact O-CB 3.38Å; Y186-K190 PolarHBondContact O-N 2.82Å; V187-K190 PolarHBondContact O-N 2.82Å; R188-K190 PolarHBondContact O-N 2.9Å; K190-Q194 WeakPolarHBondContact O-CB 3.39Å; K190-Q194 PolarHBondContact O-N 2.84Å; K190-Q194 VanDerWaalsContact O-N 3.12Å
191	S	97.5	Very high	97.4	Very high	59 Å²	59	104.6 Å²	104.6	41%	0.413	51%	0.506	S	S	.	.	H	α-helix	trans	-65.9	-51.5	170.8	-162.3	0	0	0	0	110.4	V187 R188 L193 Q194 D195	V187-S191 PolarHBondContact O-N 2.84Å; R188-S191 WeakPolarHBondContact O-CB 3.37Å; R188-S191 PolarHBondContact O-N 2.97Å; S191-L193 VanDerWaalsContact C-N 3.26Å; S191-L193 PolarHBondContact O-N 2.88Å; S191-Q194 CarbonylContact O-C 3.57Å; S191-Q194 WeakPolarHBondContact O-CA 3.36Å; S191-Q194 WeakPolarHBondContact O-CB 3.34Å; S191-Q194 PolarHBondContact O-N 2.81Å; S191-D195 PolarHBondContact O-N 2.89Å; S191-D195 PolarHBondContact OG-OD2 2.85Å; S191-D195 VanDerWaalsContact OG-OD2 3.07Å
192	E	97.4	Very high	97.4	Very high	101 Å²	101	107.7 Å²	107.7	47%	0.472	51%	0.512	S	S	.	.	H	α-helix	trans	-54.1	-41.3	179.3	-68.2	164.4	176.8	0	0	111.9	R188 V189 L196	R188-E192 WeakPolarHBondContact CD-OE1 3.38Å; R188-E192 VanDerWaalsContact CG-OE1 3.28Å; R188-E192 WeakPolarHBondContact CG-OE1 3.33Å; R188-E192 IonicContact NE-OE1 3.37Å; R188-E192 WeakPolarHBondContact O-CG 3.38Å; R188-E192 PolarHBondContact O-N 3.34Å; V189-E192 PolarHBondContact O-N 3.46Å; E192-L196 WeakPolarHBondContact O-CB 3.39Å; E192-L196 PolarHBondContact O-N 2.86Å
193	L	96.6	Very high	97.4	Very high	110 Å²	110	110.2 Å²	110.2	58%	0.576	52%	0.52	S	S	*	.	H	α-helix	trans	-68.6	-34.2	174	-74.1	170.7	0	0	0	113.8	V189 S191 R197	V189-L193 HydrophobicContact CG1-CD1 3.99Å; V189-L193 HydrophobicContact CG1-CG 4.35Å; V189-L193 WeakPolarHBondContact O-CB 3.28Å; V189-L193 VanDerWaalsContact O-CG 3.26Å; V189-L193 WeakPolarHBondContact O-CG 3.12Å; V189-L193 PolarHBondContact O-N 2.77Å; S191-L193 VanDerWaalsContact C-N 3.26Å; S191-L193 PolarHBondContact O-N 2.88Å; L193-R197 VanDerWaalsContact O-CB 3.27Å; L193-R197 WeakPolarHBondContact O-CB 3.46Å; L193-R197 PolarHBondContact O-N 2.85Å
194	Q	97.5	Very high	97.4	Very high	124 Å²	124	110 Å²	110	58%	0.579	52%	0.519	S	S	*	.	H	α-helix	trans	-71.1	-44.9	175	178.2	172.1	-23	0	0	111	K190 S191 R197 V198	K190-Q194 WeakPolarHBondContact O-CB 3.39Å; K190-Q194 PolarHBondContact O-N 2.84Å; K190-Q194 VanDerWaalsContact O-N 3.12Å; S191-Q194 CarbonylContact O-C 3.57Å; S191-Q194 WeakPolarHBondContact O-CA 3.36Å; S191-Q194 WeakPolarHBondContact O-CB 3.34Å; S191-Q194 PolarHBondContact O-N 2.81Å; Q194-R197 PolarHBondContact O-N 2.98Å; Q194-V198 WeakPolarHBondContact O-CG2 3.49Å; Q194-V198 PolarHBondContact O-N 3.28Å
195	D	97.9	Very high	97.5	Very high	78 Å²	78	108.6 Å²	108.6	42%	0.417	51%	0.511	S	S	.	.	H	α-helix	trans	-64.9	-42.1	177.7	-67.1	-49.8	0	0	0	111	S191 V198 Q199	S191-D195 PolarHBondContact O-N 2.89Å; S191-D195 PolarHBondContact OG-OD2 2.85Å; S191-D195 VanDerWaalsContact OG-OD2 3.07Å; D195-V198 PolarHBondContact O-N 3.09Å; D195-Q199 VanDerWaalsContact O-CG 3.28Å; D195-Q199 WeakPolarHBondContact O-CG 3.28Å; D195-Q199 PolarHBondContact O-N 2.82Å; D195-Q199 PolarHBondContact O-NE2 3.02Å
196	L	97.4	Very high	97.5	Very high	104 Å²	104	107.7 Å²	107.7	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-67.5	-36.9	174.7	-174.4	62.7	0	0	0	112.3	E192 Q199 Y200	E192-L196 WeakPolarHBondContact O-CB 3.39Å; E192-L196 PolarHBondContact O-N 2.86Å; L196-Q199 PolarHBondContact O-N 2.85Å; L196-Y200 WeakPolarHBondContact O-CB 3Å; L196-Y200 PolarHBondContact O-N 2.93Å
197	R	98.2	Very high	97.6	Very high	174 Å²	174	105.8 Å²	105.8	66%	0.657	51%	0.509	S	S	*	.	H	α-helix	trans	-61	-45.1	170.8	168.6	179.5	-95.5	-146.7	-6.4	111.3	L193 Q194 Q199 Y200 Q201	L193-R197 VanDerWaalsContact O-CB 3.27Å; L193-R197 WeakPolarHBondContact O-CB 3.46Å; L193-R197 PolarHBondContact O-N 2.85Å; Q194-R197 PolarHBondContact O-N 2.98Å; R197-Q199 VanDerWaalsContact C-N 3.32Å; R197-Q199 PolarHBondContact O-N 3.08Å; R197-Y200 PolarHBondContact O-N 3.03Å; R197-Q201 WeakPolarHBondContact O-CG 3.46Å; R197-Q201 PolarHBondContact O-N 2.73Å
198	V	98.1	Very high	97.5	Very high	59 Å²	59	106.9 Å²	106.9	36%	0.358	51%	0.508	S	S	.	.	H	α-helix	trans	-67	-34.3	178.4	169.6	0	0	0	0	111.5	Q194 D195 K202	Q194-V198 WeakPolarHBondContact O-CG2 3.49Å; Q194-V198 PolarHBondContact O-N 3.28Å; D195-V198 PolarHBondContact O-N 3.09Å; V198-K202 HydrophobicContact CG1-CD 4.4Å; V198-K202 VanDerWaalsContact O-CG 3.28Å; V198-K202 WeakPolarHBondContact O-CG 3.29Å; V198-K202 PolarHBondContact O-N 2.79Å; V198-K202 VanDerWaalsContact O-N 3.15Å
199	Q	97.4	Very high	97.5	Very high	108 Å²	108	104.1 Å²	104.1	51%	0.505	50%	0.502	S	S	.	.	H	α-helix	trans	-66.5	-45.3	171.5	-72.6	167.4	48.4	0	0	111.6	D195 L196 R197 Q201 K202 L203	D195-Q199 VanDerWaalsContact O-CG 3.28Å; D195-Q199 WeakPolarHBondContact O-CG 3.28Å; D195-Q199 PolarHBondContact O-N 2.82Å; D195-Q199 PolarHBondContact O-NE2 3.02Å; L196-Q199 PolarHBondContact O-N 2.85Å; R197-Q199 VanDerWaalsContact C-N 3.32Å; R197-Q199 PolarHBondContact O-N 3.08Å; Q199-Q201 PolarHBondContact O-N 2.9Å; Q199-K202 WeakPolarHBondContact O-CB 3.32Å; Q199-K202 PolarHBondContact O-N 2.64Å; Q199-L203 WeakPolarHBondContact O-CD1 3.29Å; Q199-L203 PolarHBondContact O-N 2.82Å
200	Y	96.6	Very high	97.4	Very high	157 Å²	157	107 Å²	107	62%	0.616	51%	0.512	S	S	*	.	H	α-helix	trans	-59	-48	176.6	-171.9	-81.4	0	0	0	111.4	L196 R197 K202 L203 E204	L196-Y200 WeakPolarHBondContact O-CB 3Å; L196-Y200 PolarHBondContact O-N 2.93Å; R197-Y200 PolarHBondContact O-N 3.03Å; Y200-K202 PolarHBondContact O-N 2.79Å; Y200-L203 PolarHBondContact O-N 3.22Å; Y200-E204 HydrophobicContact CD1-CB 4.47Å; Y200-E204 HydrophobicContact CE1-CB 4.37Å; Y200-E204 VanDerWaalsContact O-CB 3.22Å; Y200-E204 WeakPolarHBondContact O-CB 3.16Å; Y200-E204 PolarHBondContact O-N 3.34Å
201	Q	97.6	Very high	97.3	Very high	107 Å²	107	104.1 Å²	104.1	50%	0.5	50%	0.504	S	S	.	.	H	α-helix	trans	-63.6	-27.3	177.9	-71.1	-179	-54	0	0	113.6	R197 Q199 K205	R197-Q201 WeakPolarHBondContact O-CG 3.46Å; R197-Q201 PolarHBondContact O-N 2.73Å; Q199-Q201 PolarHBondContact O-N 2.9Å; Q201-K205 PolarHBondContact O-N 2.9Å
202	K	97.1	Very high	97.3	Very high	121 Å²	121	105.8 Å²	105.8	53%	0.526	51%	0.508	S	S	.	.	H	α-helix	trans	-72.1	-53.7	170.7	-74.1	168.4	-178.4	178.8	0	110.7	V198 Q199 Y200 E204 K205 D206	V198-K202 HydrophobicContact CG1-CD 4.4Å; V198-K202 VanDerWaalsContact O-CG 3.28Å; V198-K202 WeakPolarHBondContact O-CG 3.29Å; V198-K202 PolarHBondContact O-N 2.79Å; V198-K202 VanDerWaalsContact O-N 3.15Å; Q199-K202 WeakPolarHBondContact O-CB 3.32Å; Q199-K202 PolarHBondContact O-N 2.64Å; Y200-K202 PolarHBondContact O-N 2.79Å; K202-E204 PolarHBondContact O-N 3.36Å; K202-K205 CarbonylContact O-C 3.58Å; K202-K205 PolarHBondContact O-N 2.47Å; K202-D206 WeakPolarHBondContact O-CB 3.29Å; K202-D206 PolarHBondContact O-N 3.38Å
203	L	96.5	Very high	97.3	Very high	118 Å²	118	104.4 Å²	104.4	62%	0.618	50%	0.504	S	S	*	.	H	α-helix	trans	-59.6	-33.3	178.7	-92.2	63.6	0	0	0	112.9	Q199 Y200 L207	Q199-L203 WeakPolarHBondContact O-CD1 3.29Å; Q199-L203 PolarHBondContact O-N 2.82Å; Y200-L203 PolarHBondContact O-N 3.22Å; L203-L207 WeakPolarHBondContact O-CB 3.43Å; L203-L207 PolarHBondContact O-N 2.81Å
204	E	98.3	Very high	97.3	Very high	88 Å²	88	104.5 Å²	104.5	41%	0.411	50%	0.496	S	S	.	.	H	α-helix	trans	-63.3	-49.9	172.9	-174	165.1	-126.8	0	0	110.7	Y200 K202 L207 E208	Y200-E204 HydrophobicContact CD1-CB 4.47Å; Y200-E204 HydrophobicContact CE1-CB 4.37Å; Y200-E204 VanDerWaalsContact O-CB 3.22Å; Y200-E204 WeakPolarHBondContact O-CB 3.16Å; Y200-E204 PolarHBondContact O-N 3.34Å; K202-E204 PolarHBondContact O-N 3.36Å; E204-L207 PolarHBondContact O-N 3.3Å; E204-E208 WeakPolarHBondContact O-CG 3.41Å; E204-E208 PolarHBondContact O-N 3.48Å
205	K	98	Very high	97.3	Very high	104 Å²	104	102.4 Å²	102.4	45%	0.452	49%	0.489	S	S	.	.	H	α-helix	trans	-66.7	-41.8	174.6	-169.5	-166.1	179.6	-56.2	0	113	Q201 K202 L207 E208 D209	Q201-K205 PolarHBondContact O-N 2.9Å; K202-K205 CarbonylContact O-C 3.58Å; K202-K205 PolarHBondContact O-N 2.47Å; K205-L207 PolarHBondContact O-N 2.82Å; K205-E208 WeakPolarHBondContact O-CB 3.19Å; K205-E208 PolarHBondContact O-N 3.36Å; K205-E208 VanDerWaalsContact O-N 3.1Å; K205-D209 IonicContact NZ-OD1 2.8Å; K205-D209 PolarHBondContact NZ-OD1 2.89Å; K205-D209 IonicContact NZ-OD2 3.23Å; K205-D209 PolarHBondContact NZ-OD2 2.86Å; K205-D209 WeakPolarHBondContact O-CB 3.39Å; K205-D209 PolarHBondContact O-N 3.26Å
206	D	98	Very high	97.3	Very high	88 Å²	88	103 Å²	103	47%	0.471	49%	0.492	S	S	.	.	H	α-helix	trans	-62.8	-35.4	179.6	-61.8	-30.2	0	0	0	109.9	K202 E210	K202-D206 WeakPolarHBondContact O-CB 3.29Å; K202-D206 PolarHBondContact O-N 3.38Å; D206-E210 WeakPolarHBondContact O-CB 3.49Å; D206-E210 WeakPolarHBondContact O-CG 3.47Å; D206-E210 PolarHBondContact O-N 3.01Å
207	L	97.6	Very high	97.2	Very high	117 Å²	117	103.2 Å²	103.2	61%	0.613	49%	0.493	S	S	*	.	H	α-helix	trans	-68.8	-42.5	170.6	179.2	63.4	0	0	0	112.3	L203 E204 K205 E210 T211	L203-L207 WeakPolarHBondContact O-CB 3.43Å; L203-L207 PolarHBondContact O-N 2.81Å; E204-L207 PolarHBondContact O-N 3.3Å; K205-L207 PolarHBondContact O-N 2.82Å; L207-E210 PolarHBondContact O-N 2.91Å; L207-T211 HydrophobicContact CD1-CG2 4.26Å; L207-T211 VanDerWaalsContact O-CG2 3.28Å; L207-T211 WeakPolarHBondContact O-CG2 3.31Å; L207-T211 PolarHBondContact O-N 3.34Å; L207-T211 PolarHBondContact O-OG1 2.98Å
208	E	97.4	Very high	97.2	Very high	122 Å²	122	99.1 Å²	99.1	57%	0.57	48%	0.482	S	S	*	.	H	α-helix	trans	-58.9	-51.6	173.9	-73.4	177.3	160.1	0	0	111.3	E204 K205 E210 T211 L212	E204-E208 WeakPolarHBondContact O-CG 3.41Å; E204-E208 PolarHBondContact O-N 3.48Å; K205-E208 WeakPolarHBondContact O-CB 3.19Å; K205-E208 PolarHBondContact O-N 3.36Å; K205-E208 VanDerWaalsContact O-N 3.1Å; E208-E210 PolarHBondContact O-N 2.75Å; E208-T211 PolarHBondContact O-N 3.24Å; E208-T211 VanDerWaalsContact O-N 3.14Å; E208-T211 PolarHBondContact O-OG1 2.88Å; E208-L212 PolarHBondContact O-N 3Å
209	D	97.9	Very high	97.1	Very high	64 Å²	64	100.6 Å²	100.6	34%	0.342	49%	0.488	S	S	.	.	H	α-helix	trans	-57.4	-45.6	177.4	-73.1	-13.8	0	0	0	111.3	K205 L212 N213	K205-D209 IonicContact NZ-OD1 2.8Å; K205-D209 PolarHBondContact NZ-OD1 2.89Å; K205-D209 IonicContact NZ-OD2 3.23Å; K205-D209 PolarHBondContact NZ-OD2 2.86Å; K205-D209 WeakPolarHBondContact O-CB 3.39Å; K205-D209 PolarHBondContact O-N 3.26Å; D209-L212 PolarHBondContact O-N 3.18Å; D209-N213 WeakPolarHBondContact O-CB 3.3Å; D209-N213 VanDerWaalsContact O-CG 3.24Å; D209-N213 PolarHBondContact O-N 2.62Å; D209-N213 PolarHBondContact O-ND2 2.77Å
210	E	95.5	Very high	97.1	Very high	125 Å²	125	101.1 Å²	101.1	58%	0.584	49%	0.485	S	S	*	.	H	α-helix	trans	-66.6	-36	175.7	-79.7	-61.7	134.3	0	0	112.8	D206 L207 E208 L212 N213 R214	D206-E210 WeakPolarHBondContact O-CB 3.49Å; D206-E210 WeakPolarHBondContact O-CG 3.47Å; D206-E210 PolarHBondContact O-N 3.01Å; L207-E210 PolarHBondContact O-N 2.91Å; E208-E210 PolarHBondContact O-N 2.75Å; E210-L212 VanDerWaalsContact C-N 3.32Å; E210-L212 PolarHBondContact O-N 3.19Å; E210-N213 PolarHBondContact O-N 2.84Å; E210-R214 VanDerWaalsContact O-CB 3.29Å; E210-R214 WeakPolarHBondContact O-CB 3.43Å; E210-R214 PolarHBondContact O-N 2.85Å
211	T	95.3	Very high	97.1	Very high	59 Å²	59	96.6 Å²	96.6	36%	0.362	47%	0.474	S	S	.	.	H	α-helix	trans	-68.2	-32.4	174.4	60.5	0	0	0	0	112.7	L207 E208 L215	L207-T211 HydrophobicContact CD1-CG2 4.26Å; L207-T211 VanDerWaalsContact O-CG2 3.28Å; L207-T211 WeakPolarHBondContact O-CG2 3.31Å; L207-T211 PolarHBondContact O-N 3.34Å; L207-T211 PolarHBondContact O-OG1 2.98Å; E208-T211 PolarHBondContact O-N 3.24Å; E208-T211 VanDerWaalsContact O-N 3.14Å; E208-T211 PolarHBondContact O-OG1 2.88Å; T211-L215 VanDerWaalsContact O-CG 3.3Å; T211-L215 WeakPolarHBondContact O-CG 3.28Å; T211-L215 PolarHBondContact O-N 2.66Å; T211-L215 VanDerWaalsContact O-N 3.1Å
212	L	97.1	Very high	97.1	Very high	94 Å²	94	94.3 Å²	94.3	49%	0.492	47%	0.467	S	S	.	.	H	α-helix	trans	-68.6	-50.8	172	-176.3	153.6	0	0	0	110.7	E208 D209 E210 R214 L215 D216	E208-L212 PolarHBondContact O-N 3Å; D209-L212 PolarHBondContact O-N 3.18Å; E210-L212 VanDerWaalsContact C-N 3.32Å; E210-L212 PolarHBondContact O-N 3.19Å; L212-R214 VanDerWaalsContact C-N 3.25Å; L212-R214 PolarHBondContact O-N 2.89Å; L212-L215 PolarHBondContact O-N 3.26Å; L212-D216 WeakPolarHBondContact CD2-OD2 3.23Å; L212-D216 PolarHBondContact O-N 3.17Å
213	N	96.9	Very high	97.1	Very high	72 Å²	72	90.7 Å²	90.7	39%	0.385	46%	0.457	S	S	.	.	H	α-helix	trans	-54.8	-41.6	175.6	-73.1	-27.6	0	0	0	111.6	D209 E210 N217	D209-N213 WeakPolarHBondContact O-CB 3.3Å; D209-N213 VanDerWaalsContact O-CG 3.24Å; D209-N213 PolarHBondContact O-N 2.62Å; D209-N213 PolarHBondContact O-ND2 2.77Å; E210-N213 PolarHBondContact O-N 2.84Å; N213-N217 WeakPolarHBondContact O-CB 3.32Å; N213-N217 PolarHBondContact O-N 3.33Å; N213-N217 PolarHBondContact O-ND2 3.35Å
214	R	97.2	Very high	97.1	Very high	111 Å²	111	89 Å²	89	42%	0.419	45%	0.448	S	S	.	.	H	α-helix	trans	-62.8	-46.1	175.1	-177.2	-168.3	59.4	73.1	15.6	111.8	E210 L212 N217 E218	E210-R214 VanDerWaalsContact O-CB 3.29Å; E210-R214 WeakPolarHBondContact O-CB 3.43Å; E210-R214 PolarHBondContact O-N 2.85Å; L212-R214 VanDerWaalsContact C-N 3.25Å; L212-R214 PolarHBondContact O-N 2.89Å; R214-N217 PolarHBondContact O-N 2.8Å; R214-E218 WeakPolarHBondContact CG-OE1 3.43Å; R214-E218 IonicContact CZ-OE1 3.73Å; R214-E218 IonicContact CZ-OE2 3.76Å; R214-E218 IonicContact NH1-OE1 2.74Å; R214-E218 PolarHBondContact NH1-OE1 3.42Å; R214-E218 IonicContact NH1-OE2 3.24Å; R214-E218 PolarHBondContact NH1-OE2 2.81Å; R214-E218 WeakPolarHBondContact O-CB 3.33Å; R214-E218 WeakPolarHBondContact O-CG 3.41Å; R214-E218 PolarHBondContact O-N 2.9Å
215	L	98.3	Very high	97.1	Very high	81 Å²	81	93 Å²	93	42%	0.424	46%	0.46	S	S	.	.	H	α-helix	trans	-63.1	-42.4	178	-74.1	169.6	0	0	0	111.9	T211 L212 N217 E218 N219	T211-L215 VanDerWaalsContact O-CG 3.3Å; T211-L215 WeakPolarHBondContact O-CG 3.28Å; T211-L215 PolarHBondContact O-N 2.66Å; T211-L215 VanDerWaalsContact O-N 3.1Å; L212-L215 PolarHBondContact O-N 3.26Å; L215-N217 VanDerWaalsContact C-N 3.35Å; L215-N217 PolarHBondContact O-N 3.17Å; L215-E218 PolarHBondContact O-N 3.4Å; L215-N219 WeakPolarHBondContact O-CB 3.46Å; L215-N219 PolarHBondContact O-N 3.03Å; L215-N219 PolarHBondContact O-ND2 3.18Å; L215-N219 VanDerWaalsContact O-ND2 3.13Å
216	D	97.1	Very high	97	Very high	90 Å²	90	94.2 Å²	94.2	48%	0.481	47%	0.467	S	S	.	.	H	α-helix	trans	-66.6	-36	177.6	-77.5	-16.9	0	0	0	112.4	L212 R220	L212-D216 WeakPolarHBondContact CD2-OD2 3.23Å; L212-D216 PolarHBondContact O-N 3.17Å; D216-R220 WeakPolarHBondContact O-CB 3.49Å; D216-R220 PolarHBondContact O-N 3.37Å
217	N	94.9	Very high	97	Very high	108 Å²	108	94.3 Å²	94.3	58%	0.578	47%	0.465	S	S	*	.	H	α-helix	trans	-69.2	-39.7	171.7	-81.5	-80.9	0	0	0	112.3	N213 R214 L215 R220 V221	N213-N217 WeakPolarHBondContact O-CB 3.32Å; N213-N217 PolarHBondContact O-N 3.33Å; N213-N217 PolarHBondContact O-ND2 3.35Å; R214-N217 PolarHBondContact O-N 2.8Å; L215-N217 VanDerWaalsContact C-N 3.35Å; L215-N217 PolarHBondContact O-N 3.17Å; N217-R220 PolarHBondContact O-N 3.34Å; N217-V221 WeakPolarHBondContact O-CB 3.44Å; N217-V221 VanDerWaalsContact O-CG2 3.28Å; N217-V221 WeakPolarHBondContact O-CG2 3.19Å; N217-V221 PolarHBondContact O-N 2.87Å
218	E	97.7	Very high	96.8	Very high	89 Å²	89	93.3 Å²	93.3	42%	0.416	46%	0.459	S	S	.	.	H	α-helix	trans	-62.3	-44.4	173.5	-78	169.3	-170.8	0	0	111.4	R214 L215 V221 T222	R214-E218 WeakPolarHBondContact CG-OE1 3.43Å; R214-E218 IonicContact CZ-OE1 3.73Å; R214-E218 IonicContact CZ-OE2 3.76Å; R214-E218 IonicContact NH1-OE1 2.74Å; R214-E218 PolarHBondContact NH1-OE1 3.42Å; R214-E218 IonicContact NH1-OE2 3.24Å; R214-E218 PolarHBondContact NH1-OE2 2.81Å; R214-E218 WeakPolarHBondContact O-CB 3.33Å; R214-E218 WeakPolarHBondContact O-CG 3.41Å; R214-E218 PolarHBondContact O-N 2.9Å; L215-E218 PolarHBondContact O-N 3.4Å; E218-V221 CarbonylContact O-C 3.58Å; E218-V221 PolarHBondContact O-N 2.98Å; E218-T222 PolarHBondContact O-N 2.98Å; E218-T222 PolarHBondContact O-OG1 3.22Å
219	N	96.2	Very high	96.8	Very high	89 Å²	89	89.5 Å²	89.5	48%	0.476	45%	0.449	S	S	.	.	H	α-helix	trans	-61.5	-43.4	173.7	-71	-31.3	0	0	0	111.8	L215 V221 T222 S223	L215-N219 WeakPolarHBondContact O-CB 3.46Å; L215-N219 PolarHBondContact O-N 3.03Å; L215-N219 PolarHBondContact O-ND2 3.18Å; L215-N219 VanDerWaalsContact O-ND2 3.13Å; N219-V221 VanDerWaalsContact C-N 3.29Å; N219-V221 PolarHBondContact O-N 3.02Å; N219-T222 WeakPolarHBondContact CA-OG1 3.33Å; N219-T222 PolarHBondContact O-N 3.41Å; N219-T222 PolarHBondContact O-OG1 3.42Å; N219-S223 PolarHBondContact O-N 3Å; N219-S223 PolarHBondContact O-OG 3.37Å
220	R	97.9	Very high	96.8	Very high	119 Å²	119	93 Å²	93	45%	0.449	46%	0.461	S	S	.	.	H	α-helix	trans	-66	-34.2	175.4	-171.9	66.7	-162.3	127.9	1.7	111.5	D216 N217 L224 E227	D216-R220 WeakPolarHBondContact O-CB 3.49Å; D216-R220 PolarHBondContact O-N 3.37Å; N217-R220 PolarHBondContact O-N 3.34Å; R220-L224 HydrophobicContact CG-CD1 4.03Å; R220-L224 HydrophobicContact CG-CG 4.45Å; R220-L224 VanDerWaalsContact NH2-CD2 3.28Å; R220-L224 VanDerWaalsContact O-CB 3.27Å; R220-L224 WeakPolarHBondContact O-CB 3.07Å; R220-L224 VanDerWaalsContact O-CG 3.25Å; R220-L224 WeakPolarHBondContact O-CG 3.49Å; R220-L224 PolarHBondContact O-N 2.79Å; R220-E227 IonicContact CZ-OE1 2.77Å; R220-E227 IonicContact NH1-OE1 2.63Å; R220-E227 PolarHBondContact NH1-OE1 2.85Å; R220-E227 IonicContact NH1-OE2 2.56Å; R220-E227 IonicContact NH2-OE1 3.68Å; R220-E227 PolarHBondContact NH2-OE1 2.87Å; R220-E227 IonicContact NH2-OE2 2.75Å; R220-E227 PolarHBondContact NH2-OE2 3.02Å
221	V	96.3	Very high	96.9	Very high	62 Å²	62	89.4 Å²	89.4	38%	0.376	45%	0.45	S	S	.	.	H	α-helix	trans	-70.2	-36.3	175	166.5	0	0	0	0	112.3	N217 E218 N219 R225	N217-V221 WeakPolarHBondContact O-CB 3.44Å; N217-V221 VanDerWaalsContact O-CG2 3.28Å; N217-V221 WeakPolarHBondContact O-CG2 3.19Å; N217-V221 PolarHBondContact O-N 2.87Å; E218-V221 CarbonylContact O-C 3.58Å; E218-V221 PolarHBondContact O-N 2.98Å; N219-V221 VanDerWaalsContact C-N 3.29Å; N219-V221 PolarHBondContact O-N 3.02Å; V221-R225 WeakPolarHBondContact O-CB 3.2Å; V221-R225 WeakPolarHBondContact O-CD 3.43Å; V221-R225 WeakPolarHBondContact O-CG 3.39Å; V221-R225 PolarHBondContact O-N 2.88Å
222	T	97.8	Very high	97	Very high	59 Å²	59	92.4 Å²	92.4	36%	0.362	46%	0.458	S	S	.	.	H	α-helix	trans	-68.5	-48.3	172.3	52.3	0	0	0	0	111.1	E218 N219 L224 R225 E226	E218-T222 PolarHBondContact O-N 2.98Å; E218-T222 PolarHBondContact O-OG1 3.22Å; N219-T222 WeakPolarHBondContact CA-OG1 3.33Å; N219-T222 PolarHBondContact O-N 3.41Å; N219-T222 PolarHBondContact O-OG1 3.42Å; T222-L224 VanDerWaalsContact C-N 3.34Å; T222-L224 PolarHBondContact O-N 2.82Å; T222-R225 WeakPolarHBondContact O-CB 3.25Å; T222-R225 PolarHBondContact O-N 3.26Å; T222-E226 WeakPolarHBondContact O-CG 3.41Å; T222-E226 PolarHBondContact O-N 3.35Å
223	S	97.1	Very high	97.1	Very high	46 Å²	46	93.1 Å²	93.1	32%	0.322	46%	0.459	S	S	.	.	H	α-helix	trans	-57.1	-44.1	175	-57.9	0	0	0	0	112.4	N219 R225 E226 E227	N219-S223 PolarHBondContact O-N 3Å; N219-S223 PolarHBondContact O-OG 3.37Å; S223-R225 VanDerWaalsContact C-N 3.32Å; S223-R225 PolarHBondContact O-N 3.22Å; S223-E226 PolarHBondContact O-N 3.4Å; S223-E227 WeakPolarHBondContact O-CB 3.43Å; S223-E227 VanDerWaalsContact O-CG 3.25Å; S223-E227 WeakPolarHBondContact O-CG 3.29Å; S223-E227 PolarHBondContact O-N 3.05Å
224	L	97.1	Very high	97.1	Very high	82 Å²	82	92.8 Å²	92.8	43%	0.429	46%	0.457	S	S	.	.	H	α-helix	trans	-64.2	-33.5	175.6	-79.7	168.6	0	0	0	113.2	R220 T222 L228	R220-L224 HydrophobicContact CG-CD1 4.03Å; R220-L224 HydrophobicContact CG-CG 4.45Å; R220-L224 VanDerWaalsContact NH2-CD2 3.28Å; R220-L224 VanDerWaalsContact O-CB 3.27Å; R220-L224 WeakPolarHBondContact O-CB 3.07Å; R220-L224 VanDerWaalsContact O-CG 3.25Å; R220-L224 WeakPolarHBondContact O-CG 3.49Å; R220-L224 PolarHBondContact O-N 2.79Å; T222-L224 VanDerWaalsContact C-N 3.34Å; T222-L224 PolarHBondContact O-N 2.82Å; L224-L228 WeakPolarHBondContact O-CB 3.41Å; L224-L228 PolarHBondContact O-N 3.29Å
225	R	97.6	Very high	97	Very high	173 Å²	173	94.5 Å²	94.5	65%	0.653	46%	0.464	S	S	*	.	H	α-helix	trans	-70.3	-37.8	174	-75.5	166.4	-179.9	177.3	3.1	111.6	V221 T222 S223 A229	V221-R225 WeakPolarHBondContact O-CB 3.2Å; V221-R225 WeakPolarHBondContact O-CD 3.43Å; V221-R225 WeakPolarHBondContact O-CG 3.39Å; V221-R225 PolarHBondContact O-N 2.88Å; T222-R225 WeakPolarHBondContact O-CB 3.25Å; T222-R225 PolarHBondContact O-N 3.26Å; S223-R225 VanDerWaalsContact C-N 3.32Å; S223-R225 PolarHBondContact O-N 3.22Å; R225-A229 WeakPolarHBondContact O-CB 3.44Å; R225-A229 PolarHBondContact O-N 3.04Å
226	E	96.1	Very high	97	Very high	129 Å²	129	95 Å²	95	60%	0.603	47%	0.467	S	S	*	.	H	α-helix	trans	-70.4	-46.4	176.6	-71.6	164.3	-167.3	0	0	111.4	T222 S223 L228 A229 F230	T222-E226 WeakPolarHBondContact O-CG 3.41Å; T222-E226 PolarHBondContact O-N 3.35Å; S223-E226 PolarHBondContact O-N 3.4Å; E226-L228 VanDerWaalsContact C-N 3.33Å; E226-L228 PolarHBondContact O-N 2.95Å; E226-A229 PolarHBondContact O-N 3.33Å; E226-F230 VanDerWaalsContact O-CB 3.31Å; E226-F230 WeakPolarHBondContact O-CB 3.22Å; E226-F230 PolarHBondContact O-N 3.38Å
227	E	97.4	Very high	97	Very high	90 Å²	90	96.4 Å²	96.4	42%	0.421	47%	0.469	S	S	.	.	H	α-helix	trans	-52.1	-50.3	169.9	-76.1	164.5	-139.1	0	0	110.6	R220 S223 F230 S231	R220-E227 IonicContact CZ-OE1 2.77Å; R220-E227 IonicContact NH1-OE1 2.63Å; R220-E227 PolarHBondContact NH1-OE1 2.85Å; R220-E227 IonicContact NH1-OE2 2.56Å; R220-E227 IonicContact NH2-OE1 3.68Å; R220-E227 PolarHBondContact NH2-OE1 2.87Å; R220-E227 IonicContact NH2-OE2 2.75Å; R220-E227 PolarHBondContact NH2-OE2 3.02Å; S223-E227 WeakPolarHBondContact O-CB 3.43Å; S223-E227 VanDerWaalsContact O-CG 3.25Å; S223-E227 WeakPolarHBondContact O-CG 3.29Å; S223-E227 PolarHBondContact O-N 3.05Å; E227-F230 PolarHBondContact O-N 2.68Å; E227-S231 WeakPolarHBondContact O-CB 3.38Å; E227-S231 PolarHBondContact O-N 3.41Å; E227-S231 PolarHBondContact O-OG 2.9Å
228	L	95.1	Very high	97	Very high	96 Å²	96	96.1 Å²	96.1	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-69.9	-34.9	-179.5	-177.2	148.8	0	0	0	113.1	L224 E226 K232	L224-L228 WeakPolarHBondContact O-CB 3.41Å; L224-L228 PolarHBondContact O-N 3.29Å; E226-L228 VanDerWaalsContact C-N 3.33Å; E226-L228 PolarHBondContact O-N 2.95Å; L228-K232 HydrophobicContact CD2-CD 3.97Å; L228-K232 WeakPolarHBondContact O-CG 3.34Å; L228-K232 PolarHBondContact O-N 2.87Å
229	A	97.4	Very high	96.9	Very high	42 Å²	42	95.7 Å²	95.7	35%	0.347	46%	0.464	S	S	.	.	H	α-helix	trans	-68.8	-41.5	174.1	0	0	0	0	0	111.4	R225 E226 K232 Q233	R225-A229 WeakPolarHBondContact O-CB 3.44Å; R225-A229 PolarHBondContact O-N 3.04Å; E226-A229 PolarHBondContact O-N 3.33Å; A229-K232 PolarHBondContact O-N 3.19Å; A229-Q233 WeakPolarHBondContact O-CG 3.15Å; A229-Q233 PolarHBondContact O-N 2.82Å
230	F	97.6	Very high	96.9	Very high	136 Å²	136	97.5 Å²	97.5	60%	0.596	47%	0.47	S	S	*	.	H	α-helix	trans	-62.6	-47.4	173.2	176.3	-96.6	0	0	0	111.4	E226 E227 K232 Q233 L234	E226-F230 VanDerWaalsContact O-CB 3.31Å; E226-F230 WeakPolarHBondContact O-CB 3.22Å; E226-F230 PolarHBondContact O-N 3.38Å; E227-F230 PolarHBondContact O-N 2.68Å; F230-K232 VanDerWaalsContact C-N 3.32Å; F230-K232 PolarHBondContact O-N 3.43Å; F230-Q233 PolarHBondContact O-N 3.26Å; F230-L234 HydrophobicContact CE1-CD1 4.03Å; F230-L234 HydrophobicContact CZ-CD1 4.16Å; F230-L234 WeakPolarHBondContact O-CB 3.39Å; F230-L234 PolarHBondContact O-N 2.87Å
231	S	97.7	Very high	96.8	Very high	51 Å²	51	96.3 Å²	96.3	36%	0.357	47%	0.47	S	S	.	.	H	α-helix	trans	-58.7	-41.1	176.1	-61.9	0	0	0	0	112.4	E227 L234 Y235	E227-S231 WeakPolarHBondContact O-CB 3.38Å; E227-S231 PolarHBondContact O-N 3.41Å; E227-S231 PolarHBondContact O-OG 2.9Å; S231-L234 PolarHBondContact O-N 3.19Å; S231-Y235 WeakPolarHBondContact O-CD2 3.24Å; S231-Y235 PolarHBondContact O-N 3.35Å
232	K	97.4	Very high	96.7	Very high	122 Å²	122	96.1 Å²	96.1	53%	0.53	47%	0.468	S	S	.	.	H	α-helix	trans	-61.4	-52.6	173.1	-77.4	175.9	176.4	178.8	0	111.8	L228 A229 F230 L234 Y235 D236	L228-K232 HydrophobicContact CD2-CD 3.97Å; L228-K232 WeakPolarHBondContact O-CG 3.34Å; L228-K232 PolarHBondContact O-N 2.87Å; A229-K232 PolarHBondContact O-N 3.19Å; F230-K232 VanDerWaalsContact C-N 3.32Å; F230-K232 PolarHBondContact O-N 3.43Å; K232-L234 PolarHBondContact O-N 2.91Å; K232-Y235 PolarHBondContact O-N 2.89Å; K232-Y235 VanDerWaalsContact O-N 3.17Å; K232-D236 WeakPolarHBondContact O-CB 3.18Å; K232-D236 VanDerWaalsContact O-CG 3.29Å; K232-D236 PolarHBondContact O-N 3.42Å
233	Q	97.5	Very high	96.6	Very high	109 Å²	109	101.3 Å²	101.3	51%	0.509	48%	0.481	S	S	.	.	H	α-helix	trans	-59.7	-28.6	178	-71.5	-179.8	24	0	0	113.4	A229 F230 K237	A229-Q233 WeakPolarHBondContact O-CG 3.15Å; A229-Q233 PolarHBondContact O-N 2.82Å; F230-Q233 PolarHBondContact O-N 3.26Å; Q233-K237 WeakPolarHBondContact O-CB 3.33Å; Q233-K237 VanDerWaalsContact O-CD 3.26Å; Q233-K237 WeakPolarHBondContact O-CD 3.4Å; Q233-K237 WeakPolarHBondContact O-CG 3.42Å; Q233-K237 PolarHBondContact O-N 3.09Å
234	L	97.9	Very high	96.5	Very high	65 Å²	65	105.7 Å²	105.7	34%	0.34	49%	0.491	S	S	.	.	H	α-helix	trans	-72.4	-52.2	174.2	-176	143.9	0	0	0	110.8	F230 S231 K232 D236 K237 E238	F230-L234 HydrophobicContact CE1-CD1 4.03Å; F230-L234 HydrophobicContact CZ-CD1 4.16Å; F230-L234 WeakPolarHBondContact O-CB 3.39Å; F230-L234 PolarHBondContact O-N 2.87Å; S231-L234 PolarHBondContact O-N 3.19Å; K232-L234 PolarHBondContact O-N 2.91Å; L234-D236 VanDerWaalsContact C-N 3.33Å; L234-D236 PolarHBondContact O-N 2.88Å; L234-K237 PolarHBondContact O-N 2.7Å; L234-E238 HydrophobicContact CD2-CG 4.37Å; L234-E238 WeakPolarHBondContact CD2-OE1 3.43Å; L234-E238 WeakPolarHBondContact O-CG 3.45Å; L234-E238 PolarHBondContact O-N 2.73Å
235	Y	95.5	Very high	96.5	Very high	147 Å²	147	106 Å²	106	58%	0.576	49%	0.489	S	S	*	.	H	α-helix	trans	-63.1	-36.2	176.6	-68.1	-50.2	0	0	0	113.1	S231 K232 E238 L239	S231-Y235 WeakPolarHBondContact O-CD2 3.24Å; S231-Y235 PolarHBondContact O-N 3.35Å; K232-Y235 PolarHBondContact O-N 2.89Å; K232-Y235 VanDerWaalsContact O-N 3.17Å; Y235-E238 WeakPolarHBondContact CD1-OE2 3.26Å; Y235-E238 PolarHBondContact O-N 2.88Å; Y235-L239 WeakPolarHBondContact O-CB 3.47Å; Y235-L239 VanDerWaalsContact O-CG 3.24Å; Y235-L239 WeakPolarHBondContact O-CG 3.38Å; Y235-L239 PolarHBondContact O-N 2.79Å
236	D	97.9	Very high	96.3	Very high	91 Å²	91	105.5 Å²	105.5	49%	0.487	49%	0.487	S	S	.	.	H	α-helix	trans	-62.9	-42.1	174.9	-71.8	-38.2	0	0	0	110.8	K232 L234 L239 E240	K232-D236 WeakPolarHBondContact O-CB 3.18Å; K232-D236 VanDerWaalsContact O-CG 3.29Å; K232-D236 PolarHBondContact O-N 3.42Å; L234-D236 VanDerWaalsContact C-N 3.33Å; L234-D236 PolarHBondContact O-N 2.88Å; D236-L239 PolarHBondContact O-N 3.15Å; D236-E240 WeakPolarHBondContact O-CG 3.37Å; D236-E240 PolarHBondContact O-N 3.48Å
237	K	96.5	Very high	96.3	Very high	120 Å²	120	104.6 Å²	104.6	52%	0.522	48%	0.483	S	S	.	.	H	α-helix	trans	-67.3	-39	173.9	-73.3	166.8	-169.2	166.1	0	112.8	Q233 L234 L239 E240 E241	Q233-K237 WeakPolarHBondContact O-CB 3.33Å; Q233-K237 VanDerWaalsContact O-CD 3.26Å; Q233-K237 WeakPolarHBondContact O-CD 3.4Å; Q233-K237 WeakPolarHBondContact O-CG 3.42Å; Q233-K237 PolarHBondContact O-N 3.09Å; L234-K237 PolarHBondContact O-N 2.7Å; K237-L239 VanDerWaalsContact C-N 3.32Å; K237-E240 PolarHBondContact O-N 3.36Å; K237-E241 WeakPolarHBondContact O-CB 3.09Å; K237-E241 PolarHBondContact O-N 3.13Å
238	E	96.1	Very high	96.2	Very high	101 Å²	101	103.1 Å²	103.1	47%	0.472	48%	0.477	S	S	.	.	H	α-helix	trans	-65.1	-37	174	-71.7	-179.7	163.8	0	0	111.7	L234 Y235 T242	L234-E238 HydrophobicContact CD2-CG 4.37Å; L234-E238 WeakPolarHBondContact CD2-OE1 3.43Å; L234-E238 WeakPolarHBondContact O-CG 3.45Å; L234-E238 PolarHBondContact O-N 2.73Å; Y235-E238 WeakPolarHBondContact CD1-OE2 3.26Å; Y235-E238 PolarHBondContact O-N 2.88Å; E238-T242 WeakPolarHBondContact O-CB 3.15Å; E238-T242 WeakPolarHBondContact O-CG2 3.47Å; E238-T242 PolarHBondContact O-N 3.26Å; E238-T242 PolarHBondContact O-OG1 3.04Å
239	L	95.1	Very high	96.2	Very high	81 Å²	81	103.4 Å²	103.4	42%	0.424	48%	0.476	S	S	.	.	H	α-helix	trans	-68.6	-40.6	172.7	-73.5	170	0	0	0	111.7	Y235 D236 K237 T242 R243	Y235-L239 WeakPolarHBondContact O-CB 3.47Å; Y235-L239 VanDerWaalsContact O-CG 3.24Å; Y235-L239 WeakPolarHBondContact O-CG 3.38Å; Y235-L239 PolarHBondContact O-N 2.79Å; D236-L239 PolarHBondContact O-N 3.15Å; K237-L239 VanDerWaalsContact C-N 3.32Å; L239-T242 WeakPolarHBondContact CA-OG1 3.33Å; L239-T242 PolarHBondContact O-OG1 3.1Å; L239-R243 WeakPolarHBondContact O-CB 3.31Å; L239-R243 VanDerWaalsContact O-CD 3.29Å; L239-R243 WeakPolarHBondContact O-CD 3.37Å; L239-R243 WeakPolarHBondContact O-CG 3.49Å; L239-R243 PolarHBondContact O-N 3.03Å
240	E	95.6	Very high	96	Very high	126 Å²	126	105.8 Å²	105.8	59%	0.589	48%	0.482	S	S	*	.	H	α-helix	trans	-63	-44.3	172	-76.2	179.8	170.6	0	0	111.9	D236 K237 R243 R244	D236-E240 WeakPolarHBondContact O-CG 3.37Å; D236-E240 PolarHBondContact O-N 3.48Å; K237-E240 PolarHBondContact O-N 3.36Å; E240-R243 PolarHBondContact O-N 2.91Å; E240-R244 VanDerWaalsContact O-CB 3.25Å; E240-R244 WeakPolarHBondContact O-CB 3.16Å; E240-R244 PolarHBondContact O-N 3.47Å
241	E	95.8	Very high	95.7	Very high	95 Å²	95	102 Å²	102	44%	0.444	47%	0.47	S	S	.	.	H	α-helix	trans	-64.7	-44.2	176.7	-87.2	-157.6	-150.1	0	0	112.9	K237 R244 K245	K237-E241 WeakPolarHBondContact O-CB 3.09Å; K237-E241 PolarHBondContact O-N 3.13Å; E241-R244 PolarHBondContact O-N 2.86Å; E241-K245 WeakPolarHBondContact O-CB 3.47Å; E241-K245 WeakPolarHBondContact O-CD 3.21Å; E241-K245 VanDerWaalsContact O-CG 3.22Å; E241-K245 WeakPolarHBondContact O-CG 3.39Å; E241-K245 PolarHBondContact O-N 3.31Å; E241-K245 WeakPolarHBondContact OE2-CE 3.44Å; E241-K245 IonicContact OE2-NZ 3.21Å; E241-K245 PolarHBondContact OE2-NZ 2.94Å
242	T	94.3	Very high	95.6	Very high	57 Å²	57	104.2 Å²	104.2	35%	0.35	48%	0.475	S	S	.	.	H	α-helix	trans	-71	-34.3	178.5	51	0	0	0	0	112	E238 L239 R246	E238-T242 WeakPolarHBondContact O-CB 3.15Å; E238-T242 WeakPolarHBondContact O-CG2 3.47Å; E238-T242 PolarHBondContact O-N 3.26Å; E238-T242 PolarHBondContact O-OG1 3.04Å; L239-T242 WeakPolarHBondContact CA-OG1 3.33Å; L239-T242 PolarHBondContact O-OG1 3.1Å; T242-R246 WeakPolarHBondContact O-CB 3.4Å; T242-R246 VanDerWaalsContact O-CG 3.31Å; T242-R246 WeakPolarHBondContact O-CG 3.28Å; T242-R246 PolarHBondContact O-N 3.14Å; T242-R246 VanDerWaalsContact O-N 3.09Å
243	R	96.2	Very high	95.3	Very high	169 Å²	169	104.2 Å²	104.2	64%	0.638	48%	0.478	S	S	*	.	H	α-helix	trans	-62.4	-45.1	167.3	-74.4	165.6	-177.5	166.3	1.5	111.3	L239 E240 Q247	L239-R243 WeakPolarHBondContact O-CB 3.31Å; L239-R243 VanDerWaalsContact O-CD 3.29Å; L239-R243 WeakPolarHBondContact O-CD 3.37Å; L239-R243 WeakPolarHBondContact O-CG 3.49Å; L239-R243 PolarHBondContact O-N 3.03Å; E240-R243 PolarHBondContact O-N 2.91Å; R243-Q247 WeakPolarHBondContact O-CB 3.4Å; R243-Q247 PolarHBondContact O-N 3.24Å
244	R	95.2	Very high	95.1	Very high	138 Å²	138	102.9 Å²	102.9	52%	0.521	47%	0.474	S	S	.	.	H	α-helix	trans	-63.8	-44.5	179.1	-171.6	-174.9	68.2	78.4	-2.7	112	E240 E241 Q247 I248	E240-R244 VanDerWaalsContact O-CB 3.25Å; E240-R244 WeakPolarHBondContact O-CB 3.16Å; E240-R244 PolarHBondContact O-N 3.47Å; E241-R244 PolarHBondContact O-N 2.86Å; R244-Q247 PolarHBondContact O-N 3.49Å; R244-I248 HydrophobicContact CG-CD1 4.02Å; R244-I248 WeakPolarHBondContact O-CB 3.27Å; R244-I248 VanDerWaalsContact O-CG1 3.3Å; R244-I248 WeakPolarHBondContact O-CG1 3.25Å; R244-I248 PolarHBondContact O-N 3.43Å
245	K	96.2	Very high	94.8	Very high	87 Å²	87	105.1 Å²	105.1	38%	0.378	48%	0.483	S	S	.	.	H	α-helix	trans	-58.9	-55.3	176.2	-72.4	161.1	-170.8	164	0	110.4	E241 Q247 I248 E249	E241-K245 WeakPolarHBondContact O-CB 3.47Å; E241-K245 WeakPolarHBondContact O-CD 3.21Å; E241-K245 VanDerWaalsContact O-CG 3.22Å; E241-K245 WeakPolarHBondContact O-CG 3.39Å; E241-K245 PolarHBondContact O-N 3.31Å; E241-K245 WeakPolarHBondContact OE2-CE 3.44Å; E241-K245 IonicContact OE2-NZ 3.21Å; E241-K245 PolarHBondContact OE2-NZ 2.94Å; K245-Q247 VanDerWaalsContact C-N 3.31Å; K245-Q247 PolarHBondContact O-N 2.87Å; K245-I248 WeakPolarHBondContact O-CB 3.25Å; K245-I248 PolarHBondContact O-N 3.47Å; K245-I248 VanDerWaalsContact O-N 3.08Å; K245-E249 VanDerWaalsContact C-OE1 3.27Å; K245-E249 VanDerWaalsContact O-CG 3.28Å; K245-E249 WeakPolarHBondContact O-CG 3.47Å; K245-E249 PolarHBondContact O-N 3.01Å
246	R	94.1	Very high	94.8	Very high	163 Å²	163	103.9 Å²	103.9	62%	0.615	48%	0.483	S	S	*	.	H	α-helix	trans	-59.1	-37	175.3	-69	175.6	-173.6	175.7	4.4	113.9	T242 I248 E249 I250	T242-R246 WeakPolarHBondContact O-CB 3.4Å; T242-R246 VanDerWaalsContact O-CG 3.31Å; T242-R246 WeakPolarHBondContact O-CG 3.28Å; T242-R246 PolarHBondContact O-N 3.14Å; T242-R246 VanDerWaalsContact O-N 3.09Å; R246-I248 VanDerWaalsContact C-N 3.33Å; R246-E249 WeakPolarHBondContact CA-OE2 3.42Å; R246-I250 VanDerWaalsContact O-CB 3.28Å; R246-I250 WeakPolarHBondContact O-CB 3.47Å; R246-I250 WeakPolarHBondContact O-CD1 3.29Å; R246-I250 WeakPolarHBondContact O-CG1 3.41Å; R246-I250 PolarHBondContact O-N 3.32Å
247	Q	96.3	Very high	94.6	Very high	111 Å²	111	103.3 Å²	103.3	52%	0.519	48%	0.479	S	S	.	.	H	α-helix	trans	-67.3	-37	177.8	-177.8	58.8	85.8	0	0	111.7	R243 R244 K245 T251	R243-Q247 WeakPolarHBondContact O-CB 3.4Å; R243-Q247 PolarHBondContact O-N 3.24Å; R244-Q247 PolarHBondContact O-N 3.49Å; K245-Q247 VanDerWaalsContact C-N 3.31Å; K245-Q247 PolarHBondContact O-N 2.87Å; Q247-T251 PolarHBondContact O-N 3.26Å; Q247-T251 PolarHBondContact O-OG1 3.36Å; Q247-T251 VanDerWaalsContact O-OG1 3.1Å
248	I	94.4	Very high	94.5	Very high	59 Å²	59	102.7 Å²	102.7	30%	0.303	48%	0.478	S	S	.	.	H	α-helix	trans	-67.7	-52.4	174.2	-72.4	166.9	0	0	0	109.9	R244 K245 R246 I250 T251 E252	R244-I248 HydrophobicContact CG-CD1 4.02Å; R244-I248 WeakPolarHBondContact O-CB 3.27Å; R244-I248 VanDerWaalsContact O-CG1 3.3Å; R244-I248 WeakPolarHBondContact O-CG1 3.25Å; R244-I248 PolarHBondContact O-N 3.43Å; K245-I248 WeakPolarHBondContact O-CB 3.25Å; K245-I248 PolarHBondContact O-N 3.47Å; K245-I248 VanDerWaalsContact O-N 3.08Å; R246-I248 VanDerWaalsContact C-N 3.33Å; I248-I250 VanDerWaalsContact C-N 3.26Å; I248-I250 PolarHBondContact O-N 2.79Å; I248-T251 WeakPolarHBondContact CA-OG1 3.34Å; I248-T251 CarbonylContact O-C 3.58Å; I248-T251 WeakPolarHBondContact O-CA 3.45Å; I248-T251 PolarHBondContact O-N 2.97Å; I248-T251 PolarHBondContact O-OG1 2.74Å; I248-E252 VanDerWaalsContact CG2-CD 3.41Å; I248-E252 HydrophobicContact CG2-CG 4.23Å; I248-E252 VanDerWaalsContact CG2-OE1 3.23Å; I248-E252 WeakPolarHBondContact CG2-OE1 3.37Å; I248-E252 WeakPolarHBondContact CG2-OE2 3.45Å; I248-E252 WeakPolarHBondContact O-CG 3.28Å; I248-E252 PolarHBondContact O-N 2.81Å
249	E	95.4	Very high	94.4	Very high	101 Å²	101	102 Å²	102	47%	0.472	48%	0.477	S	S	.	.	H	α-helix	trans	-50.9	-45.6	175	-67	153.4	-150.2	0	0	111.3	K245 R246 E252 M253	K245-E249 VanDerWaalsContact C-OE1 3.27Å; K245-E249 VanDerWaalsContact O-CG 3.28Å; K245-E249 WeakPolarHBondContact O-CG 3.47Å; K245-E249 PolarHBondContact O-N 3.01Å; R246-E249 WeakPolarHBondContact CA-OE2 3.42Å; E249-E252 PolarHBondContact O-N 3.1Å; E249-M253 WeakPolarHBondContact O-CB 3.3Å; E249-M253 WeakPolarHBondContact O-CG 3.39Å; E249-M253 PolarHBondContact O-N 2.98Å
250	I	92.3	Very high	94.4	Very high	92 Å²	92	102.6 Å²	102.6	47%	0.472	48%	0.478	S	S	.	.	H	α-helix	trans	-65.9	-38.8	176.5	-71.6	165.5	0	0	0	111.7	R246 I248 N254	R246-I250 VanDerWaalsContact O-CB 3.28Å; R246-I250 WeakPolarHBondContact O-CB 3.47Å; R246-I250 WeakPolarHBondContact O-CD1 3.29Å; R246-I250 WeakPolarHBondContact O-CG1 3.41Å; R246-I250 PolarHBondContact O-N 3.32Å; I248-I250 VanDerWaalsContact C-N 3.26Å; I248-I250 PolarHBondContact O-N 2.79Å; I250-N254 WeakPolarHBondContact CG2-ND2 3.45Å; I250-N254 VanDerWaalsContact O-CB 3.32Å; I250-N254 WeakPolarHBondContact O-CB 3.36Å; I250-N254 PolarHBondContact O-N 2.58Å; I250-N254 VanDerWaalsContact O-N 3.11Å; I250-N254 PolarHBondContact O-ND2 3.22Å
251	T	92.8	Very high	94.2	Very high	58 Å²	58	103.9 Å²	103.9	36%	0.356	48%	0.479	S	S	.	.	H	α-helix	trans	-70.8	-35.7	176	45.6	0	0	0	0	113.1	Q247 I248 N254 Q255	Q247-T251 PolarHBondContact O-N 3.26Å; Q247-T251 PolarHBondContact O-OG1 3.36Å; Q247-T251 VanDerWaalsContact O-OG1 3.1Å; I248-T251 WeakPolarHBondContact CA-OG1 3.34Å; I248-T251 CarbonylContact O-C 3.58Å; I248-T251 WeakPolarHBondContact O-CA 3.45Å; I248-T251 PolarHBondContact O-N 2.97Å; I248-T251 PolarHBondContact O-OG1 2.74Å; T251-N254 PolarHBondContact O-N 3.41Å; T251-Q255 VanDerWaalsContact O-CG 3.25Å; T251-Q255 WeakPolarHBondContact O-CG 3.45Å; T251-Q255 PolarHBondContact O-N 2.94Å
252	E	94.5	Very high	94.2	Very high	97 Å²	97	103.8 Å²	103.8	45%	0.453	48%	0.477	S	S	.	.	H	α-helix	trans	-67.2	-52.9	177.5	-70.5	166.5	162.5	0	0	109.9	I248 E249 N254 Q255 E256	I248-E252 VanDerWaalsContact CG2-CD 3.41Å; I248-E252 HydrophobicContact CG2-CG 4.23Å; I248-E252 VanDerWaalsContact CG2-OE1 3.23Å; I248-E252 WeakPolarHBondContact CG2-OE1 3.37Å; I248-E252 WeakPolarHBondContact CG2-OE2 3.45Å; I248-E252 WeakPolarHBondContact O-CG 3.28Å; I248-E252 PolarHBondContact O-N 2.81Å; E249-E252 PolarHBondContact O-N 3.1Å; E252-N254 PolarHBondContact O-N 2.77Å; E252-Q255 WeakPolarHBondContact O-CA 3.47Å; E252-Q255 WeakPolarHBondContact O-CB 3.21Å; E252-Q255 PolarHBondContact O-N 3.28Å; E252-E256 WeakPolarHBondContact O-CG 3.49Å; E252-E256 PolarHBondContact O-N 3.48Å
253	M	92.5	Very high	94.2	Very high	121 Å²	121	107 Å²	107	60%	0.596	49%	0.488	S	S	*	.	H	α-helix	trans	-55.6	-35.9	173.7	-70.7	-65.8	-46.7	0	0	113	E249 L257	E249-M253 WeakPolarHBondContact O-CB 3.3Å; E249-M253 WeakPolarHBondContact O-CG 3.39Å; E249-M253 PolarHBondContact O-N 2.98Å; M253-L257 WeakPolarHBondContact O-CB 3.44Å; M253-L257 PolarHBondContact O-N 3.18Å
254	N	92.2	Very high	94.1	Very high	81 Å²	81	103.9 Å²	103.9	43%	0.433	48%	0.479	S	S	.	.	H	α-helix	trans	-74.4	-30.6	175.7	-84.7	-64.5	0	0	0	113.1	I250 T251 E252 Q258	I250-N254 WeakPolarHBondContact CG2-ND2 3.45Å; I250-N254 VanDerWaalsContact O-CB 3.32Å; I250-N254 WeakPolarHBondContact O-CB 3.36Å; I250-N254 PolarHBondContact O-N 2.58Å; I250-N254 VanDerWaalsContact O-N 3.11Å; I250-N254 PolarHBondContact O-ND2 3.22Å; T251-N254 PolarHBondContact O-N 3.41Å; E252-N254 PolarHBondContact O-N 2.77Å; N254-Q258 VanDerWaalsContact O-CB 3.31Å; N254-Q258 WeakPolarHBondContact O-CB 3.22Å; N254-Q258 WeakPolarHBondContact O-CG 3.49Å; N254-Q258 PolarHBondContact O-N 3.06Å
255	Q	92.8	Very high	93.9	Very high	113 Å²	113	102.5 Å²	102.5	53%	0.528	48%	0.481	S	S	.	.	H	α-helix	trans	-71	-49.3	173.9	-75	167.2	26.7	0	0	110.3	T251 E252 L257 Q258 D259	T251-Q255 VanDerWaalsContact O-CG 3.25Å; T251-Q255 WeakPolarHBondContact O-CG 3.45Å; T251-Q255 PolarHBondContact O-N 2.94Å; E252-Q255 WeakPolarHBondContact O-CA 3.47Å; E252-Q255 WeakPolarHBondContact O-CB 3.21Å; E252-Q255 PolarHBondContact O-N 3.28Å; Q255-L257 PolarHBondContact O-N 2.81Å; Q255-Q258 PolarHBondContact O-N 3.27Å; Q255-Q258 VanDerWaalsContact O-N 3.14Å; Q255-D259 WeakPolarHBondContact O-CB 3.41Å; Q255-D259 PolarHBondContact O-N 3.31Å
256	E	94.2	Very high	93.8	Very high	121 Å²	121	104.7 Å²	104.7	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-54.9	-48.6	174.8	-68.8	179.1	167.9	0	0	111.5	E252 Q258 D259 E260	E252-E256 WeakPolarHBondContact O-CG 3.49Å; E252-E256 PolarHBondContact O-N 3.48Å; E256-Q258 PolarHBondContact O-N 3.24Å; E256-D259 PolarHBondContact O-N 2.85Å; E256-E260 PolarHBondContact O-N 3.36Å
257	L	93.9	Very high	93.9	Very high	78 Å²	78	102.1 Å²	102.1	41%	0.408	49%	0.488	S	S	.	.	H	α-helix	trans	-64	-39.2	177.5	-177.2	61.9	0	0	0	112.6	M253 Q255 Y261	M253-L257 WeakPolarHBondContact O-CB 3.44Å; M253-L257 PolarHBondContact O-N 3.18Å; Q255-L257 PolarHBondContact O-N 2.81Å; L257-Y261 HydrophobicContact CD1-CD2 4.02Å; L257-Y261 HydrophobicContact CD1-CE2 3.54Å; L257-Y261 HydrophobicContact CD2-CE2 4.28Å; L257-Y261 HydrophobicContact CG-CD2 3.97Å; L257-Y261 HydrophobicContact CG-CE2 3.7Å; L257-Y261 WeakPolarHBondContact O-CD2 3.28Å; L257-Y261 PolarHBondContact O-N 3.4Å
258	Q	94.1	Very high	93.8	Very high	107 Å²	107	99.1 Å²	99.1	50%	0.5	48%	0.482	S	S	.	.	H	α-helix	trans	-65.6	-39.2	174.2	-81.4	179.7	31.5	0	0	112.1	N254 Q255 E256 Y261 K262	N254-Q258 VanDerWaalsContact O-CB 3.31Å; N254-Q258 WeakPolarHBondContact O-CB 3.22Å; N254-Q258 WeakPolarHBondContact O-CG 3.49Å; N254-Q258 PolarHBondContact O-N 3.06Å; Q255-Q258 PolarHBondContact O-N 3.27Å; Q255-Q258 VanDerWaalsContact O-N 3.14Å; E256-Q258 PolarHBondContact O-N 3.24Å; Q258-Y261 PolarHBondContact O-N 2.94Å; Q258-K262 VanDerWaalsContact O-CG 3.23Å; Q258-K262 WeakPolarHBondContact O-CG 3.16Å; Q258-K262 PolarHBondContact O-N 2.89Å
259	D	95.1	Very high	93.7	Very high	86 Å²	86	99.7 Å²	99.7	46%	0.46	49%	0.485	S	S	.	.	H	α-helix	trans	-74	-35.1	-180	-71.6	-17.9	0	0	0	111.5	Q255 E256 Y261 K262 Q263	Q255-D259 WeakPolarHBondContact O-CB 3.41Å; Q255-D259 PolarHBondContact O-N 3.31Å; E256-D259 PolarHBondContact O-N 2.85Å; D259-Y261 PolarHBondContact O-N 3.5Å; D259-K262 PolarHBondContact O-N 2.88Å; D259-K262 WeakPolarHBondContact OD1-CD 3.43Å; D259-K262 WeakPolarHBondContact OD1-CE 3.35Å; D259-K262 IonicContact OD1-NZ 2.65Å; D259-K262 PolarHBondContact OD1-NZ 3.12Å; D259-Q263 VanDerWaalsContact O-CB 3.28Å; D259-Q263 WeakPolarHBondContact O-CB 3.42Å; D259-Q263 PolarHBondContact O-N 2.89Å
260	E	95.1	Very high	93.6	Very high	95 Å²	95	97.3 Å²	97.3	44%	0.444	48%	0.483	S	S	.	.	H	α-helix	trans	-57	-46.5	164.8	-84.1	-162.2	-165.8	0	0	112	E256 Q263 K264	E256-E260 PolarHBondContact O-N 3.36Å; E260-Q263 PolarHBondContact O-N 2.99Å; E260-K264 WeakPolarHBondContact O-CB 3.28Å; E260-K264 WeakPolarHBondContact O-CD 3.28Å; E260-K264 WeakPolarHBondContact O-CG 3.47Å; E260-K264 PolarHBondContact O-N 3.15Å; E260-K264 IonicContact OE2-NZ 2.68Å; E260-K264 PolarHBondContact OE2-NZ 3.2Å
261	Y	90.5	Very high	93.8	Very high	153 Å²	153	96.3 Å²	96.3	60%	0.6	48%	0.478	S	S	*	.	H	α-helix	trans	-67.1	-38.2	178.3	-80.3	-57.8	0	0	0	112.3	L257 Q258 D259 L265	L257-Y261 HydrophobicContact CD1-CD2 4.02Å; L257-Y261 HydrophobicContact CD1-CE2 3.54Å; L257-Y261 HydrophobicContact CD2-CE2 4.28Å; L257-Y261 HydrophobicContact CG-CD2 3.97Å; L257-Y261 HydrophobicContact CG-CE2 3.7Å; L257-Y261 WeakPolarHBondContact O-CD2 3.28Å; L257-Y261 PolarHBondContact O-N 3.4Å; Q258-Y261 PolarHBondContact O-N 2.94Å; D259-Y261 PolarHBondContact O-N 3.5Å; Y261-L265 VanDerWaalsContact O-CB 3.22Å; Y261-L265 WeakPolarHBondContact O-CB 3.42Å; Y261-L265 PolarHBondContact O-N 2.9Å
262	K	95.2	Very high	93.8	Very high	93 Å²	93	98.4 Å²	98.4	40%	0.404	49%	0.485	S	S	.	.	H	α-helix	trans	-63	-45	172.6	-70.2	163.9	-150.6	159.2	0	110.9	Q258 D259 L265 Q266	Q258-K262 VanDerWaalsContact O-CG 3.23Å; Q258-K262 WeakPolarHBondContact O-CG 3.16Å; Q258-K262 PolarHBondContact O-N 2.89Å; D259-K262 PolarHBondContact O-N 2.88Å; D259-K262 WeakPolarHBondContact OD1-CD 3.43Å; D259-K262 WeakPolarHBondContact OD1-CE 3.35Å; D259-K262 IonicContact OD1-NZ 2.65Å; D259-K262 PolarHBondContact OD1-NZ 3.12Å; K262-L265 PolarHBondContact O-N 2.95Å; K262-Q266 WeakPolarHBondContact O-CB 3.41Å; K262-Q266 VanDerWaalsContact O-CG 3.25Å; K262-Q266 WeakPolarHBondContact O-CG 3.27Å; K262-Q266 PolarHBondContact O-N 3.07Å
263	Q	94.4	Very high	93.6	Very high	124 Å²	124	102.1 Å²	102.1	58%	0.579	50%	0.495	S	S	*	.	H	α-helix	trans	-63.1	-49.9	178.8	-177	179.1	-4.3	0	0	111.2	D259 E260 L265 Q266 E267	D259-Q263 VanDerWaalsContact O-CB 3.28Å; D259-Q263 WeakPolarHBondContact O-CB 3.42Å; D259-Q263 PolarHBondContact O-N 2.89Å; E260-Q263 PolarHBondContact O-N 2.99Å; Q263-L265 VanDerWaalsContact C-N 3.28Å; Q263-L265 PolarHBondContact O-N 3.31Å; Q263-Q266 PolarHBondContact O-N 2.8Å; Q263-Q266 VanDerWaalsContact O-N 3.13Å; Q263-E267 WeakPolarHBondContact O-CB 3.42Å; Q263-E267 PolarHBondContact O-N 3.43Å
264	K	94.9	Very high	93.8	Very high	104 Å²	104	102 Å²	102	45%	0.452	49%	0.493	S	S	.	.	H	α-helix	trans	-61.8	-35.8	177.8	-68.9	163.3	-167.6	171	0	112	E260 A268	E260-K264 WeakPolarHBondContact O-CB 3.28Å; E260-K264 WeakPolarHBondContact O-CD 3.28Å; E260-K264 WeakPolarHBondContact O-CG 3.47Å; E260-K264 PolarHBondContact O-N 3.15Å; E260-K264 IonicContact OE2-NZ 2.68Å; E260-K264 PolarHBondContact OE2-NZ 3.2Å; K264-A268 VanDerWaalsContact O-CB 3.28Å; K264-A268 WeakPolarHBondContact O-CB 3.39Å; K264-A268 PolarHBondContact O-N 2.94Å
265	L	91.6	Very high	93.9	Very high	108 Å²	108	104.4 Å²	104.4	57%	0.565	50%	0.502	S	S	*	.	H	α-helix	trans	-68.6	-42.9	172.9	178.9	60.8	0	0	0	112	Y261 K262 Q263 A268 L269	Y261-L265 VanDerWaalsContact O-CB 3.22Å; Y261-L265 WeakPolarHBondContact O-CB 3.42Å; Y261-L265 PolarHBondContact O-N 2.9Å; K262-L265 PolarHBondContact O-N 2.95Å; Q263-L265 VanDerWaalsContact C-N 3.28Å; Q263-L265 PolarHBondContact O-N 3.31Å; L265-A268 PolarHBondContact O-N 3.33Å; L265-L269 HydrophobicContact CD1-CD1 4.07Å; L265-L269 HydrophobicContact CD1-CG 4.24Å; L265-L269 HydrophobicContact CG-CD1 4Å; L265-L269 WeakPolarHBondContact O-CB 3.26Å; L265-L269 WeakPolarHBondContact O-CG 3.36Å; L265-L269 PolarHBondContact O-N 2.9Å
266	Q	94.1	Very high	93.9	Very high	134 Å²	134	103.6 Å²	103.6	63%	0.626	50%	0.501	S	S	*	.	H	α-helix	trans	-63.7	-41.9	175.7	-75.5	173.5	9.7	0	0	111.8	K262 Q263 L269 A270	K262-Q266 WeakPolarHBondContact O-CB 3.41Å; K262-Q266 VanDerWaalsContact O-CG 3.25Å; K262-Q266 WeakPolarHBondContact O-CG 3.27Å; K262-Q266 PolarHBondContact O-N 3.07Å; Q263-Q266 PolarHBondContact O-N 2.8Å; Q263-Q266 VanDerWaalsContact O-N 3.13Å; Q266-L269 PolarHBondContact O-N 3.42Å; Q266-A270 VanDerWaalsContact O-CB 3.3Å; Q266-A270 WeakPolarHBondContact O-CB 3.36Å; Q266-A270 PolarHBondContact O-N 3.03Å
267	E	95.2	Very high	93.9	Very high	109 Å²	109	104 Å²	104	51%	0.509	50%	0.502	S	S	.	.	H	α-helix	trans	-64.8	-46.2	175.7	-174.4	180	-179.5	0	0	111.3	Q263 L269 A270 N271	Q263-E267 WeakPolarHBondContact O-CB 3.42Å; Q263-E267 PolarHBondContact O-N 3.43Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 2.89Å; E267-A270 PolarHBondContact O-N 3.02Å; E267-N271 WeakPolarHBondContact O-CB 3.47Å; E267-N271 VanDerWaalsContact O-CG 3.22Å; E267-N271 PolarHBondContact O-N 3.47Å; E267-N271 PolarHBondContact O-ND2 2.89Å
268	A	95.1	Very high	93.8	Very high	47 Å²	47	102 Å²	102	39%	0.388	49%	0.493	S	S	.	.	H	α-helix	trans	-61.6	-39.6	174.4	0	0	0	0	0	112.5	K264 L265 M272	K264-A268 VanDerWaalsContact O-CB 3.28Å; K264-A268 WeakPolarHBondContact O-CB 3.39Å; K264-A268 PolarHBondContact O-N 2.94Å; L265-A268 PolarHBondContact O-N 3.33Å; A268-M272 WeakPolarHBondContact O-CB 3.41Å; A268-M272 WeakPolarHBondContact O-CG 3.46Å; A268-M272 PolarHBondContact O-N 3.29Å
269	L	91.4	Very high	93.8	Very high	71 Å²	71	102.3 Å²	102.3	37%	0.372	50%	0.495	S	S	.	.	H	α-helix	trans	-69.2	-35.5	174.5	-72.8	169.5	0	0	0	112.4	L265 Q266 E267 M272 R273	L265-L269 HydrophobicContact CD1-CD1 4.07Å; L265-L269 HydrophobicContact CD1-CG 4.24Å; L265-L269 HydrophobicContact CG-CD1 4Å; L265-L269 WeakPolarHBondContact O-CB 3.26Å; L265-L269 WeakPolarHBondContact O-CG 3.36Å; L265-L269 PolarHBondContact O-N 2.9Å; Q266-L269 PolarHBondContact O-N 3.42Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 2.89Å; L269-M272 HydrophobicContact CD2-CE 4.01Å; L269-R273 WeakPolarHBondContact O-CB 3.4Å; L269-R273 WeakPolarHBondContact O-CD 3.48Å; L269-R273 WeakPolarHBondContact O-CG 3.27Å; L269-R273 PolarHBondContact O-N 2.96Å
270	A	94.3	Very high	93.6	Very high	51 Å²	51	103.8 Å²	103.8	42%	0.421	50%	0.502	S	S	.	.	H	α-helix	trans	-66.9	-47.7	174.1	0	0	0	0	0	110.9	Q266 E267 M272 R273 E274	Q266-A270 VanDerWaalsContact O-CB 3.3Å; Q266-A270 WeakPolarHBondContact O-CB 3.36Å; Q266-A270 PolarHBondContact O-N 3.03Å; E267-A270 PolarHBondContact O-N 3.02Å; A270-M272 PolarHBondContact O-N 3.3Å; A270-R273 CarbonylContact O-C 3.57Å; A270-R273 WeakPolarHBondContact O-CA 3.4Å; A270-R273 WeakPolarHBondContact O-CB 3.11Å; A270-R273 PolarHBondContact O-N 3.49Å; A270-R273 VanDerWaalsContact O-N 3.07Å; A270-E274 PolarHBondContact O-N 3.2Å
271	N	95.3	Very high	93.6	Very high	72 Å²	72	106.1 Å²	106.1	39%	0.385	51%	0.506	S	S	.	.	H	α-helix	trans	-61	-41.3	176.8	-69.7	-22.8	0	0	0	111.9	E267 E274 Q275	E267-N271 WeakPolarHBondContact O-CB 3.47Å; E267-N271 VanDerWaalsContact O-CG 3.22Å; E267-N271 PolarHBondContact O-N 3.47Å; E267-N271 PolarHBondContact O-ND2 2.89Å; N271-E274 PolarHBondContact O-N 3.39Å; N271-Q275 WeakPolarHBondContact O-CB 3.3Å; N271-Q275 WeakPolarHBondContact O-CG 3.48Å; N271-Q275 PolarHBondContact O-N 3.47Å
272	M	92.7	Very high	93.7	Very high	102 Å²	102	103.7 Å²	103.7	50%	0.502	50%	0.502	S	S	.	.	H	α-helix	trans	-67.2	-35	173	-75	-165.6	-62.5	0	0	112.8	A268 L269 A270 L276	A268-M272 WeakPolarHBondContact O-CB 3.41Å; A268-M272 WeakPolarHBondContact O-CG 3.46Å; A268-M272 PolarHBondContact O-N 3.29Å; L269-M272 HydrophobicContact CD2-CE 4.01Å; A270-M272 PolarHBondContact O-N 3.3Å; M272-L276 WeakPolarHBondContact O-CB 3.49Å; M272-L276 VanDerWaalsContact O-CG 3.28Å; M272-L276 WeakPolarHBondContact O-CG 3.23Å; M272-L276 PolarHBondContact O-N 3.39Å
273	R	92.2	Very high	93.1	Very high	175 Å²	175	101.8 Å²	101.8	66%	0.66	50%	0.5	S	S	*	.	H	α-helix	trans	-65.9	-44.3	173.2	-75.5	166.1	-178.4	-172.5	0.9	111.5	L269 A270 Q275 L276 E277	L269-R273 WeakPolarHBondContact O-CB 3.4Å; L269-R273 WeakPolarHBondContact O-CD 3.48Å; L269-R273 WeakPolarHBondContact O-CG 3.27Å; L269-R273 PolarHBondContact O-N 2.96Å; A270-R273 CarbonylContact O-C 3.57Å; A270-R273 WeakPolarHBondContact O-CA 3.4Å; A270-R273 WeakPolarHBondContact O-CB 3.11Å; A270-R273 PolarHBondContact O-N 3.49Å; A270-R273 VanDerWaalsContact O-N 3.07Å; R273-Q275 VanDerWaalsContact C-N 3.35Å; R273-L276 PolarHBondContact O-N 2.96Å; R273-E277 VanDerWaalsContact O-CB 3.29Å; R273-E277 WeakPolarHBondContact O-CB 3.38Å; R273-E277 PolarHBondContact O-N 3.11Å
274	E	95.4	Very high	93	Very high	119 Å²	119	103.6 Å²	103.6	56%	0.556	50%	0.502	S	S	*	.	H	α-helix	trans	-66.1	-36.3	176.7	-176.3	176.2	-168.2	0	0	112	A270 N271 T278	A270-E274 PolarHBondContact O-N 3.2Å; N271-E274 PolarHBondContact O-N 3.39Å; E274-T278 WeakPolarHBondContact O-CB 3.38Å; E274-T278 PolarHBondContact O-N 3.38Å; E274-T278 PolarHBondContact O-OG1 2.93Å
275	Q	94.9	Very high	93	Very high	130 Å²	130	104 Å²	104	61%	0.607	50%	0.503	S	S	*	.	H	α-helix	trans	-64.1	-46.4	172.4	-75.7	170.5	12.3	0	0	111.6	N271 R273 T278 Q279	N271-Q275 WeakPolarHBondContact O-CB 3.3Å; N271-Q275 WeakPolarHBondContact O-CG 3.48Å; N271-Q275 PolarHBondContact O-N 3.47Å; R273-Q275 VanDerWaalsContact C-N 3.35Å; Q275-T278 PolarHBondContact O-N 2.96Å; Q275-Q279 WeakPolarHBondContact O-CB 3.31Å; Q275-Q279 PolarHBondContact O-N 2.82Å
276	L	91.5	Very high	92.9	Very high	97 Å²	97	104 Å²	104	51%	0.508	50%	0.5	S	S	.	.	H	α-helix	trans	-66.1	-41.6	176.2	-72.6	170.5	0	0	0	112	M272 R273 Q279 I280	M272-L276 WeakPolarHBondContact O-CB 3.49Å; M272-L276 VanDerWaalsContact O-CG 3.28Å; M272-L276 WeakPolarHBondContact O-CG 3.23Å; M272-L276 PolarHBondContact O-N 3.39Å; R273-L276 PolarHBondContact O-N 2.96Å; L276-Q279 PolarHBondContact O-N 3.32Å; L276-I280 WeakPolarHBondContact O-CB 2.87Å; L276-I280 WeakPolarHBondContact O-CD1 3.37Å; L276-I280 WeakPolarHBondContact O-CG1 3.11Å; L276-I280 PolarHBondContact O-N 3.23Å
277	E	94.4	Very high	92.7	Very high	128 Å²	128	101.3 Å²	101.3	60%	0.598	49%	0.493	S	S	*	.	H	α-helix	trans	-65.1	-40.3	175.1	-174.5	176.4	167.2	0	0	111.2	R273 I280 R281	R273-E277 VanDerWaalsContact O-CB 3.29Å; R273-E277 WeakPolarHBondContact O-CB 3.38Å; R273-E277 PolarHBondContact O-N 3.11Å; E277-I280 PolarHBondContact O-N 3.42Å; E277-R281 WeakPolarHBondContact O-CB 3.42Å; E277-R281 PolarHBondContact O-N 2.84Å
278	T	93.4	Very high	92.4	Very high	36 Å²	36	100.3 Å²	100.3	22%	0.221	49%	0.489	C	S	.	.	H	α-helix	trans	-65.4	-41.4	174	-67.6	0	0	0	0	111.4	E274 Q275 R281 M282	E274-T278 WeakPolarHBondContact O-CB 3.38Å; E274-T278 PolarHBondContact O-N 3.38Å; E274-T278 PolarHBondContact O-OG1 2.93Å; Q275-T278 PolarHBondContact O-N 2.96Å; T278-R281 PolarHBondContact O-N 2.99Å; T278-R281 PolarHBondContact OG1-NH2 3.43Å; T278-M282 WeakPolarHBondContact O-CB 3.44Å; T278-M282 WeakPolarHBondContact O-CG 3.19Å; T278-M282 PolarHBondContact O-N 3.05Å
279	Q	93	Very high	92.2	Very high	114 Å²	114	100.8 Å²	100.8	53%	0.533	48%	0.484	S	S	.	.	H	α-helix	trans	-63.1	-47.8	174	-174.4	-177.4	2.2	0	0	111.2	Q275 L276 R281 M282 S283	Q275-Q279 WeakPolarHBondContact O-CB 3.31Å; Q275-Q279 PolarHBondContact O-N 2.82Å; L276-Q279 PolarHBondContact O-N 3.32Å; Q279-R281 VanDerWaalsContact C-N 3.31Å; Q279-R281 PolarHBondContact O-N 2.97Å; Q279-M282 PolarHBondContact O-N 3.31Å; Q279-S283 PolarHBondContact O-N 2.86Å; Q279-S283 PolarHBondContact O-OG 3.32Å
280	I	91.7	Very high	92.1	Very high	117 Å²	117	103.9 Å²	103.9	60%	0.6	50%	0.499	S	S	*	.	H	α-helix	trans	-61.3	-40.5	176.7	-70.3	164.1	0	0	0	110.5	L276 E277 R284	L276-I280 WeakPolarHBondContact O-CB 2.87Å; L276-I280 WeakPolarHBondContact O-CD1 3.37Å; L276-I280 WeakPolarHBondContact O-CG1 3.11Å; L276-I280 PolarHBondContact O-N 3.23Å; E277-I280 PolarHBondContact O-N 3.42Å; I280-R284 WeakPolarHBondContact O-CB 3.28Å; I280-R284 PolarHBondContact O-N 3.01Å
281	R	94.7	Very high	91.7	Very high	144 Å²	144	109.2 Å²	109.2	54%	0.543	51%	0.509	S	S	.	.	H	α-helix	trans	-65.3	-41.3	175.6	-176.1	178.8	67.7	-138.2	-4.7	112	E277 T278 Q279 K285	E277-R281 WeakPolarHBondContact O-CB 3.42Å; E277-R281 PolarHBondContact O-N 2.84Å; T278-R281 PolarHBondContact O-N 2.99Å; T278-R281 PolarHBondContact OG1-NH2 3.43Å; Q279-R281 VanDerWaalsContact C-N 3.31Å; Q279-R281 PolarHBondContact O-N 2.97Å; R281-K285 WeakPolarHBondContact O-CB 3.46Å; R281-K285 PolarHBondContact O-N 3.46Å
282	M	91.5	Very high	91.4	Very high	102 Å²	102	111.5 Å²	111.5	50%	0.502	52%	0.518	S	S	.	.	H	α-helix	trans	-66.8	-54	175.1	-71.9	-167.8	-46.6	0	0	110.9	T278 Q279 R284 K285 E286	T278-M282 WeakPolarHBondContact O-CB 3.44Å; T278-M282 WeakPolarHBondContact O-CG 3.19Å; T278-M282 PolarHBondContact O-N 3.05Å; Q279-M282 PolarHBondContact O-N 3.31Å; M282-R284 VanDerWaalsContact C-N 3.28Å; M282-R284 PolarHBondContact O-N 3.47Å; M282-K285 CarbonylContact O-C 3.56Å; M282-K285 WeakPolarHBondContact O-CA 3.34Å; M282-K285 PolarHBondContact O-N 3.08Å; M282-E286 WeakPolarHBondContact O-CB 3.25Å; M282-E286 VanDerWaalsContact O-CG 3.27Å; M282-E286 WeakPolarHBondContact O-CG 3.47Å; M282-E286 PolarHBondContact O-N 2.92Å
283	S	83.7	Confident	91.3	Very high	53 Å²	53	111.4 Å²	111.4	37%	0.371	52%	0.519	S	S	.	.	H	α-helix	trans	-64.7	-30.2	179.4	-62.1	0	0	0	0	113.5	Q279 E286 V287	Q279-S283 PolarHBondContact O-N 2.86Å; Q279-S283 PolarHBondContact O-OG 3.32Å; S283-E286 WeakPolarHBondContact CA-OE2 3.3Å; S283-V287 WeakPolarHBondContact O-CB 3.47Å; S283-V287 VanDerWaalsContact O-CG2 3.25Å; S283-V287 WeakPolarHBondContact O-CG2 3.47Å; S283-V287 PolarHBondContact O-N 3.37Å; S283-V287 VanDerWaalsContact O-N 3.16Å
284	R	93	Very high	91.1	Very high	162 Å²	162	107.7 Å²	107.7	61%	0.611	51%	0.508	S	S	*	.	H	α-helix	trans	-64.9	-48.1	167.9	177.6	178.4	167.7	174.4	-2	111.1	I280 M282 V287 E288	I280-R284 WeakPolarHBondContact O-CB 3.28Å; I280-R284 PolarHBondContact O-N 3.01Å; M282-R284 VanDerWaalsContact C-N 3.28Å; M282-R284 PolarHBondContact O-N 3.47Å; R284-V287 PolarHBondContact O-N 2.9Å; R284-E288 HydrophobicContact CG-CG 4.41Å; R284-E288 IonicContact CZ-OE1 2.73Å; R284-E288 IonicContact NE-OE1 2.77Å; R284-E288 PolarHBondContact NE-OE1 3.18Å; R284-E288 IonicContact NE-OE2 2.64Å; R284-E288 IonicContact NH2-OE1 2.58Å; R284-E288 PolarHBondContact NH2-OE1 2.9Å; R284-E288 WeakPolarHBondContact O-CG 3.41Å; R284-E288 PolarHBondContact O-N 3.04Å
285	K	93.2	Very high	90.7	Very high	112 Å²	112	105.8 Å²	105.8	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-65.2	-40.6	178.7	-165.8	-176.3	-179.3	-81.9	0	112	R281 M282 V287 E288 D289	R281-K285 WeakPolarHBondContact O-CB 3.46Å; R281-K285 PolarHBondContact O-N 3.46Å; M282-K285 CarbonylContact O-C 3.56Å; M282-K285 WeakPolarHBondContact O-CA 3.34Å; M282-K285 PolarHBondContact O-N 3.08Å; K285-V287 PolarHBondContact O-N 3.41Å; K285-E288 PolarHBondContact O-N 2.86Å; K285-E288 VanDerWaalsContact O-N 3.14Å; K285-D289 WeakPolarHBondContact CE-OD1 3.49Å; K285-D289 IonicContact NZ-OD1 3.81Å; K285-D289 PolarHBondContact NZ-OD1 2.88Å; K285-D289 IonicContact NZ-OD2 2.7Å; K285-D289 PolarHBondContact NZ-OD2 2.8Å; K285-D289 VanDerWaalsContact O-CB 3.27Å; K285-D289 WeakPolarHBondContact O-CB 3.35Å; K285-D289 PolarHBondContact O-N 3.21Å
286	E	90.6	Very high	90.2	Very high	108 Å²	108	103.3 Å²	103.3	51%	0.505	50%	0.495	S	S	.	.	H	α-helix	trans	-56.9	-38.7	174.2	-72.2	161.5	-178	0	0	111.1	M282 S283 M290	M282-E286 WeakPolarHBondContact O-CB 3.25Å; M282-E286 VanDerWaalsContact O-CG 3.27Å; M282-E286 WeakPolarHBondContact O-CG 3.47Å; M282-E286 PolarHBondContact O-N 2.92Å; S283-E286 WeakPolarHBondContact CA-OE2 3.3Å; E286-M290 WeakPolarHBondContact O-CB 3.47Å; E286-M290 WeakPolarHBondContact O-CG 3.15Å; E286-M290 PolarHBondContact O-N 2.89Å
287	V	89.2	Confident	89.9	Confident	78 Å²	78	104.3 Å²	104.3	47%	0.473	50%	0.497	S	S	.	.	H	α-helix	trans	-73.6	-40.3	174.5	169.5	0	0	0	0	112.3	S283 R284 K285 M290 Y291	S283-V287 WeakPolarHBondContact O-CB 3.47Å; S283-V287 VanDerWaalsContact O-CG2 3.25Å; S283-V287 WeakPolarHBondContact O-CG2 3.47Å; S283-V287 PolarHBondContact O-N 3.37Å; S283-V287 VanDerWaalsContact O-N 3.16Å; R284-V287 PolarHBondContact O-N 2.9Å; K285-V287 PolarHBondContact O-N 3.41Å; V287-M290 PolarHBondContact O-N 3.5Å; V287-Y291 HydrophobicContact CG1-CD2 3.67Å; V287-Y291 HydrophobicContact CG1-CE2 3.49Å; V287-Y291 VanDerWaalsContact CG1-CE2 3.49Å; V287-Y291 WeakPolarHBondContact O-CD2 3.23Å; V287-Y291 PolarHBondContact O-N 3.02Å
288	E	89.7	Confident	89.3	Confident	89 Å²	89	102 Å²	102	42%	0.416	49%	0.489	S	S	.	.	H	α-helix	trans	-64.1	-50.7	175.2	-73.1	170.5	161.4	0	0	111.1	R284 K285 M290 Y291 E292	R284-E288 HydrophobicContact CG-CG 4.41Å; R284-E288 IonicContact CZ-OE1 2.73Å; R284-E288 IonicContact NE-OE1 2.77Å; R284-E288 PolarHBondContact NE-OE1 3.18Å; R284-E288 IonicContact NE-OE2 2.64Å; R284-E288 IonicContact NH2-OE1 2.58Å; R284-E288 PolarHBondContact NH2-OE1 2.9Å; R284-E288 WeakPolarHBondContact O-CG 3.41Å; R284-E288 PolarHBondContact O-N 3.04Å; K285-E288 PolarHBondContact O-N 2.86Å; K285-E288 VanDerWaalsContact O-N 3.14Å; E288-M290 VanDerWaalsContact C-N 3.33Å; E288-M290 PolarHBondContact O-N 3.35Å; E288-Y291 PolarHBondContact O-N 2.78Å; E288-E292 WeakPolarHBondContact O-CB 3.47Å; E288-E292 PolarHBondContact O-N 2.77Å
289	D	91.3	Very high	88.9	Confident	56 Å²	56	104.2 Å²	104.2	30%	0.299	50%	0.499	S	S	.	.	H	α-helix	trans	-56.7	-42.7	172.7	-68.3	-12.4	0	0	0	111.1	K285 N293	K285-D289 WeakPolarHBondContact CE-OD1 3.49Å; K285-D289 IonicContact NZ-OD1 3.81Å; K285-D289 PolarHBondContact NZ-OD1 2.88Å; K285-D289 IonicContact NZ-OD2 2.7Å; K285-D289 PolarHBondContact NZ-OD2 2.8Å; K285-D289 VanDerWaalsContact O-CB 3.27Å; K285-D289 WeakPolarHBondContact O-CB 3.35Å; K285-D289 PolarHBondContact O-N 3.21Å; D289-N293 VanDerWaalsContact O-CB 3.3Å; D289-N293 WeakPolarHBondContact O-CB 3.48Å; D289-N293 PolarHBondContact O-N 3.09Å; D289-N293 PolarHBondContact O-ND2 3.47Å
290	M	89.1	Confident	88.5	Confident	137 Å²	137	101.6 Å²	101.6	68%	0.675	50%	0.496	S	S	*	.	H	α-helix	trans	-62.2	-44.8	176.2	-88.5	-81.5	-71	0	0	112.3	E286 V287 E288 K294	E286-M290 WeakPolarHBondContact O-CB 3.47Å; E286-M290 WeakPolarHBondContact O-CG 3.15Å; E286-M290 PolarHBondContact O-N 2.89Å; V287-M290 PolarHBondContact O-N 3.5Å; E288-M290 VanDerWaalsContact C-N 3.33Å; E288-M290 PolarHBondContact O-N 3.35Å; M290-K294 VanDerWaalsContact O-CB 3.31Å; M290-K294 WeakPolarHBondContact O-CB 3.31Å; M290-K294 PolarHBondContact O-N 3.01Å
291	Y	84.8	Confident	88.1	Confident	162 Å²	162	99 Å²	99	64%	0.635	49%	0.489	S	S	*	.	H	α-helix	trans	-70.7	-39.1	177.8	-78.7	-57.5	0	0	0	112.2	V287 E288 K294 V295	V287-Y291 HydrophobicContact CG1-CD2 3.67Å; V287-Y291 HydrophobicContact CG1-CE2 3.49Å; V287-Y291 VanDerWaalsContact CG1-CE2 3.49Å; V287-Y291 WeakPolarHBondContact O-CD2 3.23Å; V287-Y291 PolarHBondContact O-N 3.02Å; E288-Y291 PolarHBondContact O-N 2.78Å; Y291-K294 PolarHBondContact O-N 2.85Å; Y291-V295 WeakPolarHBondContact O-CB 3.33Å; Y291-V295 VanDerWaalsContact O-CG2 3.28Å; Y291-V295 WeakPolarHBondContact O-CG2 3.48Å; Y291-V295 PolarHBondContact O-N 3.09Å
292	E	89.8	Confident	87.5	Confident	121 Å²	121	97.3 Å²	97.3	57%	0.565	49%	0.491	S	S	*	.	H	α-helix	trans	-62	-47.2	174.6	-177.8	168.2	-170.3	0	0	110.9	E288 K294 V295 N296	E288-E292 WeakPolarHBondContact O-CB 3.47Å; E288-E292 PolarHBondContact O-N 2.77Å; E292-K294 PolarHBondContact O-N 2.91Å; E292-V295 PolarHBondContact O-N 3.37Å; E292-N296 VanDerWaalsContact O-CB 3.31Å; E292-N296 WeakPolarHBondContact O-CB 3.29Å; E292-N296 PolarHBondContact O-N 2.86Å; E292-N296 PolarHBondContact O-ND2 2.93Å
293	N	89.4	Confident	87.2	Confident	100 Å²	100	98.7 Å²	98.7	54%	0.535	49%	0.494	S	S	.	.	H	α-helix	trans	-59.6	-43.7	173.6	-77.9	-58.7	0	0	0	112.1	D289 V295 N296 E297	D289-N293 VanDerWaalsContact O-CB 3.3Å; D289-N293 WeakPolarHBondContact O-CB 3.48Å; D289-N293 PolarHBondContact O-N 3.09Å; D289-N293 PolarHBondContact O-ND2 3.47Å; N293-V295 PolarHBondContact O-N 3.37Å; N293-N296 PolarHBondContact O-N 3.16Å; N293-E297 WeakPolarHBondContact O-CB 3.34Å; N293-E297 WeakPolarHBondContact O-CG 3.46Å; N293-E297 PolarHBondContact O-N 3.2Å
294	K	89.4	Confident	87.1	Confident	97 Å²	97	98.9 Å²	98.9	42%	0.422	50%	0.499	S	S	.	.	H	α-helix	trans	-68.5	-34.4	179.6	-166.2	62.7	-108.4	171.2	0	112.8	M290 Y291 E292 E297 N298	M290-K294 VanDerWaalsContact O-CB 3.31Å; M290-K294 WeakPolarHBondContact O-CB 3.31Å; M290-K294 PolarHBondContact O-N 3.01Å; Y291-K294 PolarHBondContact O-N 2.85Å; E292-K294 PolarHBondContact O-N 2.91Å; K294-E297 WeakPolarHBondContact CE-OE2 3.4Å; K294-E297 IonicContact NZ-OE2 3.6Å; K294-E297 PolarHBondContact NZ-OE2 2.94Å; K294-N298 WeakPolarHBondContact CE-OD1 3.36Å; K294-N298 WeakPolarHBondContact O-CB 3.37Å; K294-N298 PolarHBondContact O-N 3.27Å; K294-N298 PolarHBondContact O-ND2 2.82Å; K294-N298 PolarHBondContact O-OD1 3.35Å
295	V	87.2	Confident	86.6	Confident	79 Å²	79	94.9 Å²	94.9	48%	0.479	49%	0.49	S	S	.	.	H	α-helix	trans	-68.5	-43.7	172.6	166.8	0	0	0	0	110.5	Y291 E292 N293 N298 L299	Y291-V295 WeakPolarHBondContact O-CB 3.33Å; Y291-V295 VanDerWaalsContact O-CG2 3.28Å; Y291-V295 WeakPolarHBondContact O-CG2 3.48Å; Y291-V295 PolarHBondContact O-N 3.09Å; E292-V295 PolarHBondContact O-N 3.37Å; N293-V295 PolarHBondContact O-N 3.37Å; V295-N298 PolarHBondContact O-N 3.1Å; V295-L299 HydrophobicContact CG1-CD1 3.82Å; V295-L299 HydrophobicContact CG1-CG 4.46Å; V295-L299 WeakPolarHBondContact O-CB 3.27Å; V295-L299 WeakPolarHBondContact O-CG 3.41Å; V295-L299 PolarHBondContact O-N 2.76Å
296	N	84.4	Confident	86	Confident	77 Å²	77	94.7 Å²	94.7	41%	0.412	49%	0.493	S	S	.	.	H	α-helix	trans	-65.8	-39.6	176.8	-71.9	-26.9	0	0	0	112.3	E292 N293 A300	E292-N296 VanDerWaalsContact O-CB 3.31Å; E292-N296 WeakPolarHBondContact O-CB 3.29Å; E292-N296 PolarHBondContact O-N 2.86Å; E292-N296 PolarHBondContact O-ND2 2.93Å; N293-N296 PolarHBondContact O-N 3.16Å; N296-A300 WeakPolarHBondContact O-CB 3.35Å; N296-A300 PolarHBondContact O-N 2.65Å
297	E	83.7	Confident	85.7	Confident	118 Å²	118	95.7 Å²	95.7	55%	0.551	50%	0.498	S	S	*	.	H	α-helix	trans	-61.9	-46.6	171.4	-79.9	-171.3	143	0	0	112	N293 K294 A300 S301	N293-E297 WeakPolarHBondContact O-CB 3.34Å; N293-E297 WeakPolarHBondContact O-CG 3.46Å; N293-E297 PolarHBondContact O-N 3.2Å; K294-E297 WeakPolarHBondContact CE-OE2 3.4Å; K294-E297 IonicContact NZ-OE2 3.6Å; K294-E297 PolarHBondContact NZ-OE2 2.94Å; E297-A300 PolarHBondContact O-N 3.21Å; E297-S301 PolarHBondContact O-N 3.07Å; E297-S301 PolarHBondContact O-OG 3.28Å
298	N	82.6	Confident	85.4	Confident	80 Å²	80	97.8 Å²	97.8	43%	0.428	50%	0.501	S	S	.	.	H	α-helix	trans	-63.9	-46.2	179.7	-72.2	-4.5	0	0	0	110.8	K294 V295 A300 S301 D302	K294-N298 WeakPolarHBondContact CE-OD1 3.36Å; K294-N298 WeakPolarHBondContact O-CB 3.37Å; K294-N298 PolarHBondContact O-N 3.27Å; K294-N298 PolarHBondContact O-ND2 2.82Å; K294-N298 PolarHBondContact O-OD1 3.35Å; V295-N298 PolarHBondContact O-N 3.1Å; N298-A300 PolarHBondContact O-N 3.24Å; N298-S301 PolarHBondContact O-N 2.98Å; N298-S301 PolarHBondContact O-OG 3.12Å; N298-D302 PolarHBondContact O-N 3.04Å
299	L	84.9	Confident	85	Confident	82 Å²	82	98.4 Å²	98.4	43%	0.429	50%	0.502	S	S	.	.	H	α-helix	trans	-58.7	-45.8	173.6	-77.7	167.3	0	0	0	111.6	V295 S301 D302 F303	V295-L299 HydrophobicContact CG1-CD1 3.82Å; V295-L299 HydrophobicContact CG1-CG 4.46Å; V295-L299 WeakPolarHBondContact O-CB 3.27Å; V295-L299 WeakPolarHBondContact O-CG 3.41Å; V295-L299 PolarHBondContact O-N 2.76Å; L299-S301 VanDerWaalsContact C-N 3.31Å; L299-S301 PolarHBondContact O-N 2.92Å; L299-D302 PolarHBondContact O-N 3.45Å; L299-F303 WeakPolarHBondContact O-CB 3.44Å; L299-F303 WeakPolarHBondContact O-CD2 3.41Å; L299-F303 PolarHBondContact O-N 3.42Å
300	A	84.2	Confident	84.6	Confident	59 Å²	59	103 Å²	103	49%	0.488	52%	0.516	S	S	.	.	H	α-helix	trans	-62.4	-38	177.2	0	0	0	0	0	112	N296 E297 N298 A304	N296-A300 WeakPolarHBondContact O-CB 3.35Å; N296-A300 PolarHBondContact O-N 2.65Å; E297-A300 PolarHBondContact O-N 3.21Å; N298-A300 PolarHBondContact O-N 3.24Å; A300-A304 WeakPolarHBondContact O-CB 3.37Å; A300-A304 PolarHBondContact O-N 2.82Å
301	S	83.2	Confident	84.2	Confident	64 Å²	64	100.8 Å²	100.8	45%	0.448	51%	0.507	S	S	.	.	H	α-helix	trans	-67.8	-44.5	173.8	72.2	0	0	0	0	112	E297 N298 L299 F303 A304 D305	E297-S301 PolarHBondContact O-N 3.07Å; E297-S301 PolarHBondContact O-OG 3.28Å; N298-S301 PolarHBondContact O-N 2.98Å; N298-S301 PolarHBondContact O-OG 3.12Å; L299-S301 VanDerWaalsContact C-N 3.31Å; L299-S301 PolarHBondContact O-N 2.92Å; S301-F303 VanDerWaalsContact C-N 3.34Å; S301-F303 PolarHBondContact O-N 3.32Å; S301-A304 PolarHBondContact O-N 2.75Å; S301-D305 VanDerWaalsContact O-CB 3.26Å; S301-D305 WeakPolarHBondContact O-CB 3.36Å; S301-D305 PolarHBondContact O-N 3.31Å
302	D	81.9	Confident	84.1	Confident	107 Å²	107	97.1 Å²	97.1	57%	0.572	50%	0.499	S	S	*	.	H	α-helix	trans	-63.1	-38.9	176.5	-80.2	-21.4	0	0	0	111.7	N298 L299 L306	N298-D302 PolarHBondContact O-N 3.04Å; L299-D302 PolarHBondContact O-N 3.45Å; D302-L306 VanDerWaalsContact O-CB 3.22Å; D302-L306 WeakPolarHBondContact O-CB 3.43Å; D302-L306 PolarHBondContact O-N 2.82Å
303	F	85.3	Confident	83.5	Confident	132 Å²	132	96.8 Å²	96.8	58%	0.579	50%	0.5	S	S	*	.	H	α-helix	trans	-64.8	-49	173	-88.3	-66.4	0	0	0	111.9	L299 S301 D305 L306 E307	L299-F303 WeakPolarHBondContact O-CB 3.44Å; L299-F303 WeakPolarHBondContact O-CD2 3.41Å; L299-F303 PolarHBondContact O-N 3.42Å; S301-F303 VanDerWaalsContact C-N 3.34Å; S301-F303 PolarHBondContact O-N 3.32Å; F303-D305 VanDerWaalsContact C-N 3.28Å; F303-D305 PolarHBondContact O-N 3.15Å; F303-L306 CarbonylContact O-C 3.57Å; F303-L306 PolarHBondContact O-N 3.42Å; F303-L306 VanDerWaalsContact O-N 3.09Å; F303-E307 WeakPolarHBondContact O-CG 3.46Å; F303-E307 PolarHBondContact O-N 3.17Å
304	A	83	Confident	83.2	Confident	57 Å²	57	96.2 Å²	96.2	47%	0.471	50%	0.496	S	S	.	.	H	α-helix	trans	-61.4	-38.3	177.7	0	0	0	0	0	112	A300 S301 L306 K308	A300-A304 WeakPolarHBondContact O-CB 3.37Å; A300-A304 PolarHBondContact O-N 2.82Å; S301-A304 PolarHBondContact O-N 2.75Å; A304-L306 VanDerWaalsContact C-N 3.32Å; A304-K308 VanDerWaalsContact O-CB 3.27Å; A304-K308 WeakPolarHBondContact O-CB 3.45Å; A304-K308 PolarHBondContact O-N 3.38Å
305	D	81.6	Confident	82.8	Confident	77 Å²	77	97.4 Å²	97.4	41%	0.412	50%	0.504	S	S	.	.	H	α-helix	trans	-72.1	-27.1	177	-138.1	46.1	0	0	0	111.7	S301 F303 K309	S301-D305 VanDerWaalsContact O-CB 3.26Å; S301-D305 WeakPolarHBondContact O-CB 3.36Å; S301-D305 PolarHBondContact O-N 3.31Å; F303-D305 VanDerWaalsContact C-N 3.28Å; F303-D305 PolarHBondContact O-N 3.15Å; D305-K309 WeakPolarHBondContact O-CB 3.19Å; D305-K309 WeakPolarHBondContact O-CD 3.2Å; D305-K309 VanDerWaalsContact O-CE 3.28Å; D305-K309 WeakPolarHBondContact O-CE 3.36Å; D305-K309 WeakPolarHBondContact O-CG 3.41Å; D305-K309 PolarHBondContact O-N 3.44Å; D305-K309 VanDerWaalsContact O-N 3.09Å; D305-K309 PolarHBondContact O-NZ 3.08Å; D305-K309 WeakPolarHBondContact OD2-CE 3.32Å; D305-K309 IonicContact OD2-NZ 3.73Å; D305-K309 PolarHBondContact OD2-NZ 2.95Å
306	L	80.7	Confident	82.6	Confident	108 Å²	108	100.7 Å²	100.7	57%	0.565	51%	0.508	S	S	*	.	H	α-helix	trans	-79	-41.5	173.5	-171.3	67.3	0	0	0	112.4	D302 F303 A304 K308 K309 Y310	D302-L306 VanDerWaalsContact O-CB 3.22Å; D302-L306 WeakPolarHBondContact O-CB 3.43Å; D302-L306 PolarHBondContact O-N 2.82Å; F303-L306 CarbonylContact O-C 3.57Å; F303-L306 PolarHBondContact O-N 3.42Å; F303-L306 VanDerWaalsContact O-N 3.09Å; A304-L306 VanDerWaalsContact C-N 3.32Å; L306-K308 VanDerWaalsContact C-N 3.31Å; L306-K309 PolarHBondContact O-N 2.94Å; L306-Y310 WeakPolarHBondContact O-CB 3.18Å; L306-Y310 PolarHBondContact O-N 3.12Å
307	E	83.3	Confident	82.1	Confident	130 Å²	130	100.8 Å²	100.8	61%	0.607	51%	0.508	S	S	*	.	H	α-helix	trans	-60.2	-42.5	170.1	-74.5	-170.5	156.1	0	0	110.8	F303 Y310 N311	F303-E307 WeakPolarHBondContact O-CG 3.46Å; F303-E307 PolarHBondContact O-N 3.17Å; E307-Y310 WeakPolarHBondContact O-CB 3.47Å; E307-Y310 PolarHBondContact O-N 3.06Å; E307-N311 WeakPolarHBondContact O-CB 3.42Å; E307-N311 VanDerWaalsContact O-CG 3.32Å; E307-N311 PolarHBondContact O-N 3.4Å; E307-N311 PolarHBondContact O-ND2 3.38Å; E307-N311 VanDerWaalsContact O-ND2 3.11Å
308	K	83.9	Confident	81.9	Confident	122 Å²	122	97.7 Å²	97.7	53%	0.53	50%	0.499	S	S	.	.	H	α-helix	trans	-60	-50.2	172.9	-174.1	177.6	177.4	-176.3	0	111.5	A304 L306 Y310 N311 D312	A304-K308 VanDerWaalsContact O-CB 3.27Å; A304-K308 WeakPolarHBondContact O-CB 3.45Å; A304-K308 PolarHBondContact O-N 3.38Å; L306-K308 VanDerWaalsContact C-N 3.31Å; K308-Y310 PolarHBondContact O-N 3.13Å; K308-N311 PolarHBondContact O-N 2.59Å; K308-N311 VanDerWaalsContact O-N 3.15Å; K308-D312 WeakPolarHBondContact O-CB 3.47Å; K308-D312 PolarHBondContact O-N 2.9Å
309	K	81.3	Confident	81.8	Confident	102 Å²	102	98.5 Å²	98.5	44%	0.443	50%	0.503	S	S	.	.	H	α-helix	trans	-58.3	-34.4	175.2	-72.1	156.4	-160.5	141.5	0	112.5	D305 L306 L313	D305-K309 WeakPolarHBondContact O-CB 3.19Å; D305-K309 WeakPolarHBondContact O-CD 3.2Å; D305-K309 VanDerWaalsContact O-CE 3.28Å; D305-K309 WeakPolarHBondContact O-CE 3.36Å; D305-K309 WeakPolarHBondContact O-CG 3.41Å; D305-K309 PolarHBondContact O-N 3.44Å; D305-K309 VanDerWaalsContact O-N 3.09Å; D305-K309 PolarHBondContact O-NZ 3.08Å; D305-K309 WeakPolarHBondContact OD2-CE 3.32Å; D305-K309 IonicContact OD2-NZ 3.73Å; D305-K309 PolarHBondContact OD2-NZ 2.95Å; L306-K309 PolarHBondContact O-N 2.94Å; K309-L313 WeakPolarHBondContact O-CB 3.19Å; K309-L313 PolarHBondContact O-N 3.03Å
310	Y	82.7	Confident	81.2	Confident	152 Å²	152	98.1 Å²	98.1	60%	0.596	50%	0.501	S	S	*	.	H	α-helix	trans	-69	-45.7	175	-179.3	-91.6	0	0	0	112.1	L306 E307 K308 L313 L314	L306-Y310 WeakPolarHBondContact O-CB 3.18Å; L306-Y310 PolarHBondContact O-N 3.12Å; E307-Y310 WeakPolarHBondContact O-CB 3.47Å; E307-Y310 PolarHBondContact O-N 3.06Å; K308-Y310 PolarHBondContact O-N 3.13Å; Y310-L313 WeakPolarHBondContact O-CB 3.39Å; Y310-L313 PolarHBondContact O-N 3.37Å; Y310-L314 HydrophobicContact CE1-CD2 4.39Å; Y310-L314 WeakPolarHBondContact O-CB 3.5Å; Y310-L314 PolarHBondContact O-N 3.27Å
311	N	81.3	Confident	80.7	Confident	91 Å²	91	101.6 Å²	101.6	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-65.9	-43.8	177.1	-71.1	-37.8	0	0	0	111.6	E307 K308 L313 L314 E315	E307-N311 WeakPolarHBondContact O-CB 3.42Å; E307-N311 VanDerWaalsContact O-CG 3.32Å; E307-N311 PolarHBondContact O-N 3.4Å; E307-N311 PolarHBondContact O-ND2 3.38Å; E307-N311 VanDerWaalsContact O-ND2 3.11Å; K308-N311 PolarHBondContact O-N 2.59Å; K308-N311 VanDerWaalsContact O-N 3.15Å; N311-L313 VanDerWaalsContact C-N 3.28Å; N311-L313 PolarHBondContact O-N 3.31Å; N311-L314 WeakPolarHBondContact O-CB 3.46Å; N311-L314 PolarHBondContact O-N 2.89Å; N311-E315 PolarHBondContact O-N 2.95Å
312	D	81.6	Confident	80.3	Confident	85 Å²	85	103.6 Å²	103.6	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-57.3	-40.9	171.7	-67.1	-12.1	0	0	0	110.6	K308 R316	K308-D312 WeakPolarHBondContact O-CB 3.47Å; K308-D312 PolarHBondContact O-N 2.9Å; D312-R316 WeakPolarHBondContact O-CB 3.33Å; D312-R316 PolarHBondContact O-N 3.16Å
313	L	78.2	Confident	79.8	Confident	114 Å²	114	103.4 Å²	103.4	60%	0.597	50%	0.503	S	S	*	.	H	α-helix	trans	-65.6	-41	172.7	-115.7	82.4	0	0	0	112.5	K309 Y310 N311 R316 N317	K309-L313 WeakPolarHBondContact O-CB 3.19Å; K309-L313 PolarHBondContact O-N 3.03Å; Y310-L313 WeakPolarHBondContact O-CB 3.39Å; Y310-L313 PolarHBondContact O-N 3.37Å; N311-L313 VanDerWaalsContact C-N 3.28Å; N311-L313 PolarHBondContact O-N 3.31Å; L313-R316 PolarHBondContact O-N 2.95Å; L313-N317 WeakPolarHBondContact O-CB 3.4Å; L313-N317 PolarHBondContact O-N 3.49Å; L313-N317 PolarHBondContact O-ND2 3.02Å
314	L	83.8	Confident	79.3	Confident	87 Å²	87	103.3 Å²	103.3	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-67.7	-41	-177.4	-174.2	62.6	0	0	0	111.1	Y310 N311 N317 S318	Y310-L314 HydrophobicContact CE1-CD2 4.39Å; Y310-L314 WeakPolarHBondContact O-CB 3.5Å; Y310-L314 PolarHBondContact O-N 3.27Å; N311-L314 WeakPolarHBondContact O-CB 3.46Å; N311-L314 PolarHBondContact O-N 2.89Å; L314-N317 CarbonylContact O-C 3.58Å; L314-N317 PolarHBondContact O-N 3.43Å; L314-S318 PolarHBondContact O-N 3.24Å
315	E	80.7	Confident	78.6	Confident	123 Å²	123	106.8 Å²	106.8	58%	0.575	51%	0.508	S	S	*	.	H	α-helix	trans	-70.2	-40	172.8	-172.5	168.7	-130.1	0	0	111.7	N311 N317 S318 L319	N311-E315 PolarHBondContact O-N 2.95Å; E315-N317 PolarHBondContact O-N 3.47Å; E315-S318 WeakPolarHBondContact CA-OG 3.39Å; E315-S318 PolarHBondContact O-N 2.82Å; E315-S318 VanDerWaalsContact O-N 3.1Å; E315-S318 PolarHBondContact O-OG 2.93Å; E315-L319 HydrophobicContact CG-CD1 4.19Å; E315-L319 WeakPolarHBondContact O-CB 3.46Å; E315-L319 WeakPolarHBondContact O-CG 3.42Å; E315-L319 PolarHBondContact O-N 2.89Å
316	R	81.4	Confident	78	Confident	148 Å²	148	104.6 Å²	104.6	56%	0.558	50%	0.504	S	S	*	.	H	α-helix	trans	-57.3	-35.8	170	-167.1	68.2	163.8	101.1	-1.7	111.7	D312 L313 L320	D312-R316 WeakPolarHBondContact O-CB 3.33Å; D312-R316 PolarHBondContact O-N 3.16Å; L313-R316 PolarHBondContact O-N 2.95Å; R316-L320 HydrophobicContact CG-CD1 4.34Å; R316-L320 WeakPolarHBondContact O-CB 3.48Å; R316-L320 WeakPolarHBondContact O-CD1 3.45Å; R316-L320 VanDerWaalsContact O-CG 3.22Å; R316-L320 WeakPolarHBondContact O-CG 3.45Å; R316-L320 PolarHBondContact O-N 2.92Å
317	N	75.3	Confident	77.4	Confident	78 Å²	78	107.6 Å²	107.6	42%	0.417	51%	0.507	S	S	.	.	H	α-helix	trans	-77.9	-28.2	175.5	-83.7	-79.3	0	0	0	113.9	L313 L314 E315 R321	L313-N317 WeakPolarHBondContact O-CB 3.4Å; L313-N317 PolarHBondContact O-N 3.49Å; L313-N317 PolarHBondContact O-ND2 3.02Å; L314-N317 CarbonylContact O-C 3.58Å; L314-N317 PolarHBondContact O-N 3.43Å; E315-N317 PolarHBondContact O-N 3.47Å; N317-R321 WeakPolarHBondContact O-CG 3.39Å; N317-R321 PolarHBondContact O-N 2.93Å; N317-R321 PolarHBondContact O-NE 3.26Å; N317-R321 PolarHBondContact O-NH2 3.33Å
318	S	80.1	Confident	76.8	Confident	53 Å²	53	106.7 Å²	106.7	37%	0.371	51%	0.506	S	S	.	.	H	α-helix	trans	-70.6	-46.7	169.3	64.7	0	0	0	0	110.5	L314 E315 L320 R321 D322	L314-S318 PolarHBondContact O-N 3.24Å; E315-S318 WeakPolarHBondContact CA-OG 3.39Å; E315-S318 PolarHBondContact O-N 2.82Å; E315-S318 VanDerWaalsContact O-N 3.1Å; E315-S318 PolarHBondContact O-OG 2.93Å; S318-L320 PolarHBondContact O-N 3.3Å; S318-R321 WeakPolarHBondContact O-CA 3.31Å; S318-R321 WeakPolarHBondContact O-CB 3.37Å; S318-R321 PolarHBondContact O-N 3.14Å; S318-D322 PolarHBondContact O-N 3.5Å
319	L	79.3	Confident	75.9	Confident	97 Å²	97	108.5 Å²	108.5	51%	0.508	51%	0.509	S	S	.	.	H	α-helix	trans	-58.7	-43.8	175.7	-71.3	168.6	0	0	0	112.5	E315 R321 D322 E323	E315-L319 HydrophobicContact CG-CD1 4.19Å; E315-L319 WeakPolarHBondContact O-CB 3.46Å; E315-L319 WeakPolarHBondContact O-CG 3.42Å; E315-L319 PolarHBondContact O-N 2.89Å; L319-R321 VanDerWaalsContact C-N 3.3Å; L319-R321 PolarHBondContact O-N 3.31Å; L319-D322 PolarHBondContact O-N 3.06Å; L319-E323 PolarHBondContact O-N 2.84Å
320	L	71.8	Confident	75.1	Confident	75 Å²	75	106.8 Å²	106.8	39%	0.393	51%	0.511	S	S	.	.	H	α-helix	trans	-64.9	-31.6	175	-77.9	168.6	0	0	0	113.1	R316 S318 M324	R316-L320 HydrophobicContact CG-CD1 4.34Å; R316-L320 WeakPolarHBondContact O-CB 3.48Å; R316-L320 WeakPolarHBondContact O-CD1 3.45Å; R316-L320 VanDerWaalsContact O-CG 3.22Å; R316-L320 WeakPolarHBondContact O-CG 3.45Å; R316-L320 PolarHBondContact O-N 2.92Å; S318-L320 PolarHBondContact O-N 3.3Å; L320-M324 WeakPolarHBondContact O-CB 3.39Å; L320-M324 PolarHBondContact O-N 2.93Å; L320-M324 VanDerWaalsContact O-N 3.08Å
321	R	74.7	Confident	74.1	Confident	132 Å²	132	104.9 Å²	104.9	50%	0.498	51%	0.505	S	S	.	.	H	α-helix	trans	-69.5	-41.7	171.6	-80.9	174.4	-71.6	-155.4	1.3	111.3	N317 S318 L319 M324 Y325	N317-R321 WeakPolarHBondContact O-CG 3.39Å; N317-R321 PolarHBondContact O-N 2.93Å; N317-R321 PolarHBondContact O-NE 3.26Å; N317-R321 PolarHBondContact O-NH2 3.33Å; S318-R321 WeakPolarHBondContact O-CA 3.31Å; S318-R321 WeakPolarHBondContact O-CB 3.37Å; S318-R321 PolarHBondContact O-N 3.14Å; L319-R321 VanDerWaalsContact C-N 3.3Å; L319-R321 PolarHBondContact O-N 3.31Å; R321-M324 WeakPolarHBondContact O-CA 3.3Å; R321-M324 VanDerWaalsContact O-CB 3.29Å; R321-M324 WeakPolarHBondContact O-CB 3.47Å; R321-M324 PolarHBondContact O-N 3.01Å; R321-Y325 HydrophobicContact CB-CD2 4.48Å; R321-Y325 HydrophobicContact CB-CE2 4.29Å; R321-Y325 WeakPolarHBondContact O-CD2 3.45Å; R321-Y325 PolarHBondContact O-N 3.03Å
322	D	74.7	Confident	73.3	Confident	106 Å²	106	104.2 Å²	104.2	57%	0.567	50%	0.502	S	S	*	.	H	α-helix	trans	-71.1	-33.7	178	-107.2	11.3	0	0	0	113.1	S318 L319 M324 Y325 G326	S318-D322 PolarHBondContact O-N 3.5Å; L319-D322 PolarHBondContact O-N 3.06Å; D322-M324 VanDerWaalsContact C-N 3.34Å; D322-Y325 PolarHBondContact O-N 3.46Å; D322-G326 PolarHBondContact O-N 3.36Å
323	E	71.1	Confident	72.5	Confident	102 Å²	102	106.2 Å²	106.2	48%	0.477	51%	0.51	S	S	.	.	H	α-helix	trans	-61	-42.5	166	-76.7	-161.6	148.8	0	0	111.5	L319 G326 R327	L319-E323 PolarHBondContact O-N 2.84Å; E323-G326 PolarHBondContact O-N 3.36Å; E323-R327 WeakPolarHBondContact O-CB 3.47Å; E323-R327 VanDerWaalsContact O-CG 3.29Å; E323-R327 WeakPolarHBondContact O-CG 3.3Å; E323-R327 PolarHBondContact O-N 3.39Å
324	M	74.4	Confident	71.4	Confident	131 Å²	131	104.6 Å²	104.6	65%	0.645	50%	0.499	S	S	*	.	H	α-helix	trans	-61.1	-49.5	174.9	-97.3	-75.6	-70.9	0	0	111.9	L320 R321 D322 G326 R327 L328	L320-M324 WeakPolarHBondContact O-CB 3.39Å; L320-M324 PolarHBondContact O-N 2.93Å; L320-M324 VanDerWaalsContact O-N 3.08Å; R321-M324 WeakPolarHBondContact O-CA 3.3Å; R321-M324 VanDerWaalsContact O-CB 3.29Å; R321-M324 WeakPolarHBondContact O-CB 3.47Å; R321-M324 PolarHBondContact O-N 3.01Å; D322-M324 VanDerWaalsContact C-N 3.34Å; M324-G326 VanDerWaalsContact C-N 3.33Å; M324-G326 PolarHBondContact O-N 2.98Å; M324-R327 PolarHBondContact O-N 3.45Å; M324-L328 VanDerWaalsContact O-CB 3.3Å; M324-L328 WeakPolarHBondContact O-CB 3.39Å; M324-L328 PolarHBondContact O-N 3.29Å
325	Y	69.7	Low	70.3	Confident	130 Å²	130	104.9 Å²	104.9	51%	0.51	50%	0.504	S	S	.	.	H	α-helix	trans	-66.8	-32.9	176.7	-70.3	-59.7	0	0	0	112.5	R321 D322 R329	R321-Y325 HydrophobicContact CB-CD2 4.48Å; R321-Y325 HydrophobicContact CB-CE2 4.29Å; R321-Y325 WeakPolarHBondContact O-CD2 3.45Å; R321-Y325 PolarHBondContact O-N 3.03Å; D322-Y325 PolarHBondContact O-N 3.46Å; Y325-R329 WeakPolarHBondContact O-CB 3.48Å; Y325-R329 WeakPolarHBondContact O-CG 3.48Å; Y325-R329 PolarHBondContact O-N 2.84Å; Y325-R329 PolarHBondContact O-NE 3.5Å
326	G	68	Low	69.1	Low	31 Å²	31	104.8 Å²	104.8	32%	0.32	50%	0.502	S	S	.	.	H	α-helix	trans	-63.6	-51.7	172.2	0	0	0	0	0	112.2	D322 E323 M324 L328 R329 S330	D322-G326 PolarHBondContact O-N 3.36Å; E323-G326 PolarHBondContact O-N 3.36Å; M324-G326 VanDerWaalsContact C-N 3.33Å; M324-G326 PolarHBondContact O-N 2.98Å; G326-L328 VanDerWaalsContact C-N 3.32Å; G326-L328 PolarHBondContact O-N 3.32Å; G326-R329 PolarHBondContact O-N 3.32Å; G326-S330 WeakPolarHBondContact O-CB 3.44Å; G326-S330 PolarHBondContact O-N 3.35Å
327	R	68.6	Low	67.6	Low	171 Å²	171	103 Å²	103	65%	0.645	50%	0.503	S	S	*	.	H	α-helix	trans	-60.3	-40.3	174.7	-71.6	175.3	-168.9	-117.3	4.5	111.7	E323 M324 S330 K331	E323-R327 WeakPolarHBondContact O-CB 3.47Å; E323-R327 VanDerWaalsContact O-CG 3.29Å; E323-R327 WeakPolarHBondContact O-CG 3.3Å; E323-R327 PolarHBondContact O-N 3.39Å; M324-R327 PolarHBondContact O-N 3.45Å; R327-S330 PolarHBondContact O-N 2.88Å; R327-K331 WeakPolarHBondContact O-CB 3.5Å; R327-K331 WeakPolarHBondContact O-CG 3.49Å; R327-K331 PolarHBondContact O-N 2.83Å
328	L	70.4	Confident	66.3	Low	111 Å²	111	104.6 Å²	104.6	58%	0.581	51%	0.511	S	S	*	.	H	α-helix	trans	-66.8	-44.6	178.2	-171.8	63.9	0	0	0	112.1	M324 G326 K331 D332	M324-L328 VanDerWaalsContact O-CB 3.3Å; M324-L328 WeakPolarHBondContact O-CB 3.39Å; M324-L328 PolarHBondContact O-N 3.29Å; G326-L328 VanDerWaalsContact C-N 3.32Å; G326-L328 PolarHBondContact O-N 3.32Å; L328-K331 PolarHBondContact O-N 2.97Å; L328-D332 WeakPolarHBondContact O-CB 3.28Å; L328-D332 PolarHBondContact O-N 3.45Å
329	R	64.2	Low	64.8	Low	159 Å²	159	110 Å²	110	60%	0.6	53%	0.528	S	S	*	.	H	α-helix	trans	-63.4	-39.3	173.8	-76.3	-177.6	-72.7	-126.3	1.7	112.2	Y325 G326 D332 M333	Y325-R329 WeakPolarHBondContact O-CB 3.48Å; Y325-R329 WeakPolarHBondContact O-CG 3.48Å; Y325-R329 PolarHBondContact O-N 2.84Å; Y325-R329 PolarHBondContact O-NE 3.5Å; G326-R329 PolarHBondContact O-N 3.32Å; R329-D332 PolarHBondContact O-N 2.71Å; R329-M333 PolarHBondContact O-N 2.92Å
330	S	65.3	Low	63	Low	67 Å²	67	111.6 Å²	111.6	47%	0.469	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-43.4	174	175.5	0	0	0	0	111.7	G326 R327 M333 E334	G326-S330 WeakPolarHBondContact O-CB 3.44Å; G326-S330 PolarHBondContact O-N 3.35Å; R327-S330 PolarHBondContact O-N 2.88Å; S330-M333 PolarHBondContact O-N 3.48Å; S330-E334 PolarHBondContact O-N 3.39Å
331	K	61.4	Low	61.6	Low	112 Å²	112	112 Å²	112	49%	0.487	54%	0.544	S	S	.	.	H	α-helix	trans	-68.9	-36.3	175.6	-73.3	-65.5	174.6	-150.4	0	113.8	R327 L328 M333 E334 V335	R327-K331 WeakPolarHBondContact O-CB 3.5Å; R327-K331 WeakPolarHBondContact O-CG 3.49Å; R327-K331 PolarHBondContact O-N 2.83Å; L328-K331 PolarHBondContact O-N 2.97Å; K331-M333 VanDerWaalsContact C-N 3.29Å; K331-M333 PolarHBondContact O-N 3.07Å; K331-E334 WeakPolarHBondContact CD-OE2 3.46Å; K331-E334 IonicContact NZ-OE1 2.74Å; K331-E334 PolarHBondContact NZ-OE1 3.17Å; K331-E334 IonicContact NZ-OE2 2.63Å; K331-E334 PolarHBondContact NZ-OE2 2.87Å; K331-E334 PolarHBondContact O-N 3.05Å; K331-V335 VanDerWaalsContact O-CG2 3.31Å; K331-V335 WeakPolarHBondContact O-CG2 3.47Å; K331-V335 PolarHBondContact O-N 3.32Å
332	D	65.2	Low	59.9	Low	77 Å²	77	114.2 Å²	114.2	41%	0.412	56%	0.558	S	S	.	*	H	α-helix	trans	-63.7	-35.8	172.8	179.4	64.8	0	0	0	111.8	L328 R329 V335 K336	L328-D332 WeakPolarHBondContact O-CB 3.28Å; L328-D332 PolarHBondContact O-N 3.45Å; R329-D332 PolarHBondContact O-N 2.71Å; D332-V335 PolarHBondContact O-N 2.86Å; D332-K336 WeakPolarHBondContact O-CG 3.22Å; D332-K336 PolarHBondContact O-N 3.27Å; D332-K336 IonicContact OD1-NZ 3.86Å; D332-K336 WeakPolarHBondContact OD2-CE 3.42Å; D332-K336 IonicContact OD2-NZ 2.68Å; D332-K336 PolarHBondContact OD2-NZ 2.93Å
333	M	64.1	Low	58	Low	127 Å²	127	114.5 Å²	114.5	63%	0.626	57%	0.568	S	S	*	*	H	α-helix	trans	-71.7	-38.3	173.4	-168.2	164.8	177.5	0	0	112.9	R329 S330 K331 K336 L337	R329-M333 PolarHBondContact O-N 2.92Å; S330-M333 PolarHBondContact O-N 3.48Å; K331-M333 VanDerWaalsContact C-N 3.29Å; K331-M333 PolarHBondContact O-N 3.07Å; M333-K336 PolarHBondContact O-N 3.47Å; M333-L337 WeakPolarHBondContact O-CG 3.26Å; M333-L337 PolarHBondContact O-N 2.88Å
334	E	56.2	Low	56	Low	80 Å²	80	118.1 Å²	118.1	37%	0.374	58%	0.583	S	S	.	*	H	α-helix	trans	-59.5	-45	168.7	-75.7	180	-153	0	0	111.7	S330 K331 K336 L337 L338	S330-E334 PolarHBondContact O-N 3.39Å; K331-E334 WeakPolarHBondContact CD-OE2 3.46Å; K331-E334 IonicContact NZ-OE1 2.74Å; K331-E334 PolarHBondContact NZ-OE1 3.17Å; K331-E334 IonicContact NZ-OE2 2.63Å; K331-E334 PolarHBondContact NZ-OE2 2.87Å; K331-E334 PolarHBondContact O-N 3.05Å; E334-K336 VanDerWaalsContact C-N 3.33Å; E334-K336 PolarHBondContact O-N 3.06Å; E334-L337 PolarHBondContact O-N 3.19Å; E334-L338 WeakPolarHBondContact O-CB 3.29Å; E334-L338 WeakPolarHBondContact O-CG 3.38Å; E334-L338 PolarHBondContact O-N 2.93Å
335	V	59.1	Low	53.8	Low	92 Å²	92	117.4 Å²	117.4	56%	0.558	59%	0.589	S	S	*	*	H	α-helix	trans	-61.2	-41.3	178.2	167.1	0	0	0	0	111.2	K331 D332 L338 F339	K331-V335 VanDerWaalsContact O-CG2 3.31Å; K331-V335 WeakPolarHBondContact O-CG2 3.47Å; K331-V335 PolarHBondContact O-N 3.32Å; D332-V335 PolarHBondContact O-N 2.86Å; V335-L338 PolarHBondContact O-N 2.67Å; V335-F339 WeakPolarHBondContact O-CB 3.41Å; V335-F339 PolarHBondContact O-N 2.93Å
336	K	56.9	Low	51.6	Low	122 Å²	122	122.5 Å²	122.5	53%	0.53	61%	0.608	S	S	.	*	H	α-helix	trans	-65.6	-39.4	176	-75.3	164.9	-178.5	164.8	0	112.8	D332 M333 E334 I340	D332-K336 WeakPolarHBondContact O-CG 3.22Å; D332-K336 PolarHBondContact O-N 3.27Å; D332-K336 IonicContact OD1-NZ 3.86Å; D332-K336 WeakPolarHBondContact OD2-CE 3.42Å; D332-K336 IonicContact OD2-NZ 2.68Å; D332-K336 PolarHBondContact OD2-NZ 2.93Å; M333-K336 PolarHBondContact O-N 3.47Å; E334-K336 VanDerWaalsContact C-N 3.33Å; E334-K336 PolarHBondContact O-N 3.06Å; K336-I340 PolarHBondContact O-N 3.28Å
337	L	48.4	Very low	49.4	Very low	109 Å²	109	128.6 Å²	128.6	57%	0.571	63%	0.632	S	S	*	*	H	α-helix	trans	-69.3	-40.2	174.7	-73.1	169.1	0	0	0	112.2	M333 E334 I340 S341	M333-L337 WeakPolarHBondContact O-CG 3.26Å; M333-L337 PolarHBondContact O-N 2.88Å; E334-L337 PolarHBondContact O-N 3.19Å; L337-I340 PolarHBondContact O-N 3.41Å; L337-S341 PolarHBondContact O-N 3.27Å; L337-S341 VanDerWaalsContact O-N 3.08Å
338	L	49.7	Very low	47.4	Very low	113 Å²	113	129.4 Å²	129.4	59%	0.592	64%	0.641	S	S	*	*	H	α-helix	trans	-63.8	-38.8	174.7	-74.9	169.6	0	0	0	111.9	E334 V335 I340 S341 F342	E334-L338 WeakPolarHBondContact O-CB 3.29Å; E334-L338 WeakPolarHBondContact O-CG 3.38Å; E334-L338 PolarHBondContact O-N 2.93Å; V335-L338 PolarHBondContact O-N 2.67Å; L338-I340 VanDerWaalsContact C-N 3.3Å; L338-I340 PolarHBondContact O-N 3.43Å; L338-S341 PolarHBondContact O-N 3.28Å; L338-F342 VanDerWaalsContact O-CB 3.28Å; L338-F342 WeakPolarHBondContact O-CB 3.24Å; L338-F342 PolarHBondContact O-N 3.3Å
339	F	47.5	Very low	45.1	Very low	165 Å²	165	131.5 Å²	131.5	72%	0.724	65%	0.651	S	S	*	*	H	α-helix	trans	-60.3	-38.6	176.3	-172.5	-103.6	0	0	0	112.6	V335	V335-F339 WeakPolarHBondContact O-CB 3.41Å; V335-F339 PolarHBondContact O-N 2.93Å
340	I	41.3	Very low	43.3	Very low	132 Å²	132	130.1 Å²	130.1	68%	0.677	66%	0.661	S	S	*	*	H	α-helix	trans	-70.4	-39.6	175.7	-64.3	169.9	0	0	0	111	K336 L337 L338	K336-I340 PolarHBondContact O-N 3.28Å; L337-I340 PolarHBondContact O-N 3.41Å; L338-I340 VanDerWaalsContact C-N 3.3Å; L338-I340 PolarHBondContact O-N 3.43Å
341	S	42.6	Very low	41.8	Very low	82 Å²	82	132.2 Å²	132.2	57%	0.573	67%	0.673	S	S	*	*	H	α-helix	trans	-69.4	-34.2	177.9	-168.2	0	0	0	0	113.6	L337 L338 S343 F344	L337-S341 PolarHBondContact O-N 3.27Å; L337-S341 VanDerWaalsContact O-N 3.08Å; L338-S341 PolarHBondContact O-N 3.28Å; S341-S343 PolarHBondContact O-N 2.94Å; S341-F344 PolarHBondContact O-N 2.86Å; S341-F344 VanDerWaalsContact O-N 3.14Å
342	F	39.6	Very low	40.1	Very low	180 Å²	180	133.9 Å²	133.9	79%	0.789	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-10.4	-171	-168.7	-107.1	0	0	0	115	L338 F344	L338-F342 VanDerWaalsContact O-CB 3.28Å; L338-F342 WeakPolarHBondContact O-CB 3.24Å; L338-F342 PolarHBondContact O-N 3.3Å; F342-F344 VanDerWaalsContact C-N 3.28Å; F342-F344 PolarHBondContact O-N 2.83Å
343	S	35.2	Very low	38.1	Very low	111 Å²	111	135.8 Å²	135.8	78%	0.776	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-3.1	174.3	-63.8	0	0	0	0	113.9	S341	S341-S343 PolarHBondContact O-N 2.94Å
344	F	28.4	Very low	36.3	Very low	178 Å²	178	137.6 Å²	137.6	78%	0.781	72%	0.723	S	S	*	*	S	Bend	trans	-124.3	153.8	179.3	-141.7	-109.7	0	0	0	111.9	S341 F342	S341-F344 PolarHBondContact O-N 2.86Å; S341-F344 VanDerWaalsContact O-N 3.14Å; F342-F344 VanDerWaalsContact C-N 3.28Å; F342-F344 PolarHBondContact O-N 2.83Å
345	C	29	Very low	34.9	Very low	116 Å²	116	141.1 Å²	141.1	78%	0.784	75%	0.75	S	S	*	*			trans	58.3	83.1	178.4	-66.3	0	0	0	0	117.1
346	R	23.6	Very low	33.2	Very low	237 Å²	237	140.3 Å²	140.3	89%	0.894	76%	0.761	S	S	*	*			trans	-73	156.6	157.3	-68.7	-177.6	168.5	-154.1	-1.7	111.7
347	L	21.8	Very low	31.7	Very low	159 Å²	159	138.4 Å²	138.4	83%	0.832	78%	0.776	S	S	*	*			trans	94.8	137.5	159	-53	176.7	0	0	0	119.1
348	K	25.6	Very low	30.7	Very low	189 Å²	189	141.8 Å²	141.8	82%	0.822	79%	0.788	S	S	*	*			trans	73.2	111.2	175.4	-54	178.7	-176.8	178.5	0	114
349	L	22.9	Very low	29.6	Very low	155 Å²	155	143.9 Å²	143.9	81%	0.812	80%	0.799	S	S	*	*			cis	68.4	130.2	42.1	-48.5	172.3	0	0	0	112.1
350	T	26.7	Very low	28.8	Very low	129 Å²	129	142 Å²	142	79%	0.791	80%	0.801	S	S	*	*			cis	-160.3	177.1	4.9	8.4	0	0	0	0	110.1
351	P	33.5	Very low	28.1	Very low	111 Å²	111	140.9 Å²	140.9	72%	0.721	81%	0.805	S	S	*	*			trans	-110.3	-178.1	-147	43.5	-41	0	0	0	117.8
352	T	24.2	Very low	27.5	Very low	147 Å²	147	141.6 Å²	141.6	90%	0.902	82%	0.816	S	S	*	*			trans	-173.8	161	139.6	12.4	0	0	0	0	116.8
353	S	24	Very low	27	Very low	118 Å²	118	143.4 Å²	143.4	83%	0.825	82%	0.823	S	S	*	*			trans	101.4	153.7	152.9	-144.4	0	0	0	0	121.7
354	L	26.4	Very low	26.6	Very low	164 Å²	164	141.5 Å²	141.5	86%	0.859	82%	0.822	S	S	*	*			trans	-152.1	147.9	-160.5	-67.7	164.3	0	0	0	113.5
355	T	26.4	Very low	26.6	Very low	154 Å²	154	139.8 Å²	139.8	95%	0.945	83%	0.826	S	S	*	*			trans	-169	160.9	163.6	26.9	0	0	0	0	110.2
356	G	24.3	Very low	26.7	Very low	75 Å²	75	146.3 Å²	146.3	77%	0.773	83%	0.834	S	S	*	*			cis	152.2	113.4	-10.8	0	0	0	0	0	115.3
357	G	24.4	Very low	27	Very low	82 Å²	82	145 Å²	145	85%	0.845	84%	0.835	S	S	*	*			trans	82.9	158.3	167.5	0	0	0	0	0	117.7
358	E	27.1	Very low	27.3	Very low	180 Å²	180	148.8 Å²	148.8	84%	0.841	84%	0.838	S	S	*	*			cis	-151.7	-129.9	-10.7	-150.4	-168.4	90	0	0	114.4
359	L	26.6	Very low	27.7	Very low	157 Å²	157	150.9 Å²	150.9	82%	0.822	84%	0.841	S	S	*	*			trans	-154.7	-164.7	-156.4	-148.1	69.8	0	0	0	115.8
360	V	32	Very low	28.1	Very low	125 Å²	125	151.1 Å²	151.1	76%	0.758	84%	0.841	S	S	*	*			trans	83.9	152.5	163.2	-167.7	0	0	0	0	117.3
361	S	26.1	Very low	28.4	Very low	110 Å²	110	152.9 Å²	152.9	77%	0.769	84%	0.838	S	S	*	*			cis	176.6	153.4	-42.7	-173.8	0	0	0	0	110.1
362	A	30	Very low	28.3	Very low	96 Å²	96	156.4 Å²	156.4	79%	0.793	85%	0.845	S	S	*	*			trans	172.2	166.6	149.9	0	0	0	0	0	115.3
363	K	28	Very low	28.7	Very low	218 Å²	218	155.2 Å²	155.2	95%	0.948	83%	0.829	S	S	*	*			trans	-149.1	164.6	177.9	-64.1	178.5	179.8	175.9	0	112
364	G	27.7	Very low	29.3	Very low	72 Å²	72	158.8 Å²	158.8	74%	0.742	83%	0.825	S	S	*	*			trans	-165.6	147.7	168.4	0	0	0	0	0	115.7
365	T	29	Very low	29.7	Very low	142 Å²	142	160 Å²	160	87%	0.871	83%	0.826	S	S	*	*			trans	-155.8	156.4	-179	53.6	0	0	0	0	112.8
366	R	31.3	Very low	30.5	Very low	253 Å²	253	157.2 Å²	157.2	96%	0.955	81%	0.813	S	S	*	*			trans	-164.7	-177.7	166.2	-112.1	167.2	-151.6	-158.7	6.7	115.4
367	K	29.2	Very low	31.4	Very low	209 Å²	209	160.8 Å²	160.8	91%	0.909	81%	0.809	S	S	*	*				-144.4	168.7	-125.5	-94.3	-179.6	171	178.4	0	116.6
368	R	28.2	Very low	32.5	Very low	238 Å²	238	162.3 Å²	162.3	90%	0.898	80%	0.802	S	S	*	*			trans	-59.2	157.5	-178.7	-54.5	169.8	174.4	163.3	-5.7	118.8
369	R	33.6	Very low	33.5	Very low	233 Å²	233	161.7 Å²	161.7	88%	0.879	80%	0.797	S	S	*	*			trans	-166.9	140.1	136.6	-95.8	170.1	-172.3	174.1	1.8	107.6
370	I	32	Very low	34.5	Very low	160 Å²	160	157.6 Å²	157.6	82%	0.821	79%	0.785	S	S	*	*				79.9	109.5	52.8	-61.1	170.5	0	0	0	114.6
371	F	31.8	Very low	35.3	Very low	167 Å²	167	155.7 Å²	155.7	73%	0.732	77%	0.774	S	S	*	*				-166.8	156	128.2	-164.6	-112.9	0	0	0	111.1	E373	F371-E373 HydrophobicContact CE1-CB 3.72Å; F371-E373 HydrophobicContact CZ-CB 3.94Å; F371-E373 HydrophobicContact CZ-CG 4.48Å
372	Q	32.3	Very low	36.2	Very low	184 Å²	184	158.1 Å²	158.1	86%	0.86	77%	0.768	S	S	*	*			trans	-162.5	124.6	-179.5	178.4	-175.9	7.3	0	0	109.6
373	E	31.6	Very low	37.3	Very low	122 Å²	122	159 Å²	159	57%	0.57	76%	0.758	S	S	*	*			trans	-163.2	155.9	175.8	-149.5	-177.9	-100.7	0	0	112.9	F371	F371-E373 HydrophobicContact CE1-CB 3.72Å; F371-E373 HydrophobicContact CZ-CB 3.94Å; F371-E373 HydrophobicContact CZ-CG 4.48Å
374	R	37.5	Very low	38.2	Very low	193 Å²	193	151.5 Å²	151.5	73%	0.728	74%	0.737	S	S	*	*			trans	77.5	89	164.2	-52.3	-174.4	-173	-135.3	-9.9	119.7
375	E	34.2	Very low	39.1	Very low	190 Å²	190	153.8 Å²	153.8	89%	0.888	73%	0.732	S	S	*	*			trans	-114.3	8.6	160.8	-65.3	-177	132.7	0	0	112.9	E377	E375-E377 PolarHBondContact O-N 2.93Å
376	S	42.6	Very low	39.9	Very low	95 Å²	95	151.7 Å²	151.7	66%	0.664	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-4	-158.3	49.9	0	0	0	0	117.6
377	E	43.2	Very low	40.3	Very low	150 Å²	150	148.3 Å²	148.3	70%	0.701	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-21.8	-171.2	-69.6	176.1	-169.9	0	0	114.2	E375	E375-E377 PolarHBondContact O-N 2.93Å
378	V	47.6	Very low	40.9	Very low	115 Å²	115	144.8 Å²	144.8	70%	0.697	70%	0.698	S	S	*	*	H	α-helix	trans	-76.3	-28.3	-174.2	-174.6	0	0	0	0	112.8	A380 T381	V378-A380 PolarHBondContact O-N 3.4Å; V378-T381 PolarHBondContact O-OG1 3.1Å; V378-T381 VanDerWaalsContact O-OG1 3.08Å
379	F	48.6	Very low	41.5	Very low	167 Å²	167	137 Å²	137	73%	0.732	68%	0.684	S	S	*	*	H	α-helix	trans	-75.9	-23.6	-175.7	-133.2	-87.8	0	0	0	113.7
380	A	47.9	Very low	42	Very low	70 Å²	70	131.8 Å²	131.8	58%	0.579	67%	0.674	S	S	*	*	H	α-helix	trans	-74.7	-33.8	-178.3	0	0	0	0	0	112.9	V378	V378-A380 PolarHBondContact O-N 3.4Å
381	T	48.8	Very low	42.4	Very low	85 Å²	85	128.3 Å²	128.3	52%	0.521	67%	0.669	S	S	.	*	H	α-helix	trans	-74.2	-32.8	-178.7	55	0	0	0	0	112.5	V378 A384 L385	V378-T381 PolarHBondContact O-OG1 3.1Å; V378-T381 VanDerWaalsContact O-OG1 3.08Å; T381-A384 PolarHBondContact O-N 2.88Å; T381-L385 PolarHBondContact O-N 3.22Å
382	Y	45.5	Very low	42.5	Very low	161 Å²	161	126.8 Å²	126.8	63%	0.631	67%	0.668	S	S	*	*	H	α-helix	trans	-65	-41.7	179.5	-165.2	-100.8	0	0	0	112.6	L385 L386	Y382-L385 PolarHBondContact O-N 2.9Å; Y382-L386 PolarHBondContact O-N 2.89Å
383	L	52.7	Low	42.5	Very low	114 Å²	114	128.4 Å²	128.4	60%	0.597	67%	0.673	S	S	*	*	H	α-helix	trans	-68.2	-34.1	176.8	-84.5	163	0	0	0	113.1
384	A	46.1	Very low	42.5	Very low	61 Å²	61	127.3 Å²	127.3	50%	0.504	68%	0.679	S	S	.	*	H	α-helix	trans	-66.8	-37.9	177	0	0	0	0	0	112.6	T381	T381-A384 PolarHBondContact O-N 2.88Å
385	L	46.6	Very low	42.2	Very low	121 Å²	121	123.9 Å²	123.9	63%	0.634	68%	0.679	S	S	*	*	H	α-helix	trans	-72.7	-33.7	178.7	-73.3	168.3	0	0	0	112.8	T381 Y382 F387 L388	T381-L385 PolarHBondContact O-N 3.22Å; Y382-L385 PolarHBondContact O-N 2.9Å; L385-F387 VanDerWaalsContact C-N 3.28Å; L385-F387 PolarHBondContact O-N 2.65Å; L385-L388 PolarHBondContact O-N 3.15Å
386	L	46.6	Very low	42.2	Very low	97 Å²	97	122.4 Å²	122.4	51%	0.508	68%	0.676	S	S	.	*	H	α-helix	trans	-68.9	-26.2	179.1	-145.3	74.5	0	0	0	113	Y382 L388	Y382-L386 PolarHBondContact O-N 2.89Å; L386-L388 VanDerWaalsContact C-N 3.32Å; L386-L388 PolarHBondContact O-N 2.87Å
387	F	40.7	Very low	41.9	Very low	182 Å²	182	123.4 Å²	123.4	80%	0.798	68%	0.678	S	S	*	*	H	α-helix	trans	-74.1	-20.8	177.6	-159	-98.8	0	0	0	113.4	L385	L385-F387 VanDerWaalsContact C-N 3.28Å; L385-F387 PolarHBondContact O-N 2.65Å
388	L	41.1	Very low	42	Very low	136 Å²	136	123 Å²	123	71%	0.712	68%	0.68	S	S	*	*	H	α-helix	trans	-87.9	-15.4	177.1	-76.9	163.1	0	0	0	113.5	L385 L386	L385-L388 PolarHBondContact O-N 3.15Å; L386-L388 VanDerWaalsContact C-N 3.32Å; L386-L388 PolarHBondContact O-N 2.87Å
389	A	41.8	Very low	42.1	Very low	74 Å²	74	121.4 Å²	121.4	61%	0.612	67%	0.673	S	S	*	*	H	α-helix	trans	-78.5	-22.9	-177.5	0	0	0	0	0	113.9
390	N	43.1	Very low	43	Very low	123 Å²	123	118.4 Å²	118.4	66%	0.658	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	30.9	-172.9	-62.2	-4.6	0	0	0	112.7	D392	N390-D392 PolarHBondContact O-N 3Å
391	A	41.4	Very low	44.2	Very low	87 Å²	87	117.4 Å²	117.4	72%	0.719	65%	0.647	S	S	*	*			trans	-80.5	90.3	169.9	0	0	0	0	0	109	F393	A391-F393 PolarHBondContact O-N 2.71Å
392	D	33.2	Very low	45.7	Very low	135 Å²	135	118.5 Å²	118.5	72%	0.722	65%	0.646	S	S	*	*			trans	-57.2	119.2	-165.1	-78.6	-48.6	0	0	0	114.9	N390 S394	N390-D392 PolarHBondContact O-N 3Å; D392-S394 WeakPolarHBondContact O-CB 3.38Å; D392-S394 PolarHBondContact O-N 2.99Å; D392-S394 PolarHBondContact O-OG 2.82Å
393	F	32.9	Very low	47.2	Very low	218 Å²	218	114.3 Å²	114.3	96%	0.956	64%	0.638	S	S	*	*			trans	-22.4	91.6	156.7	-170.3	-94.7	0	0	0	114.1	A391	A391-F393 PolarHBondContact O-N 2.71Å
394	S	31.8	Very low	48.7	Very low	99 Å²	99	115.2 Å²	115.2	69%	0.692	64%	0.638	S	S	*	*			trans	-129.8	110.7	-174.4	35.8	0	0	0	0	113	D392	D392-S394 WeakPolarHBondContact O-CB 3.38Å; D392-S394 PolarHBondContact O-N 2.99Å; D392-S394 PolarHBondContact O-OG 2.82Å
395	V	29.7	Very low	50.7	Low	121 Å²	121	115.2 Å²	115.2	73%	0.733	64%	0.638	S	S	*	*			trans	60.4	64.9	154.9	-159.4	0	0	0	0	116.6	T397	V395-T397 WeakPolarHBondContact CG1-OG1 3.44Å; V395-T397 PolarHBondContact O-N 3.32Å
396	I	35.5	Very low	52.6	Low	159 Å²	159	113 Å²	113	82%	0.815	63%	0.627	S	S	*	*			trans	-90.4	65.6	147.1	-50.3	-178.3	0	0	0	108.4	L398	I396-L398 HydrophobicContact CG2-CG 4.48Å; I396-L398 PolarHBondContact O-N 3.27Å
397	T	35.1	Very low	54.5	Low	116 Å²	116	113.4 Å²	113.4	71%	0.712	63%	0.625	S	S	*	*			trans	-79.2	89	173	-58.4	0	0	0	0	108.8	V395 C399	V395-T397 WeakPolarHBondContact CG1-OG1 3.44Å; V395-T397 PolarHBondContact O-N 3.32Å; T397-C399 PolarHBondContact O-N 2.83Å
398	L	45	Very low	56.5	Low	143 Å²	143	111.8 Å²	111.8	75%	0.749	62%	0.618	S	S	*	*			trans	-50.9	119.6	174	-73.2	162.8	0	0	0	110.2	I396 N400	I396-L398 HydrophobicContact CG2-CG 4.48Å; I396-L398 PolarHBondContact O-N 3.27Å; L398-N400 PolarHBondContact O-N 2.85Å
399	C	51	Low	58.5	Low	80 Å²	80	107.3 Å²	107.3	54%	0.541	60%	0.604	S	S	.	*			trans	-79.9	119	-175	56.7	0	0	0	0	111	T397 F401	T397-C399 PolarHBondContact O-N 2.83Å; C399-F401 VanDerWaalsContact C-N 3.35Å; C399-F401 HydrophobicContact CB-CD2 4.18Å; C399-F401 HydrophobicContact CB-CE2 4.3Å; C399-F401 PolarHBondContact O-N 2.74Å
400	N	66	Low	60.6	Low	105 Å²	105	108.2 Å²	108.2	56%	0.561	60%	0.596	S	S	*	*			trans	-72.4	82.9	-177.8	-69.6	-36.5	0	0	0	112	L398 A515	L398-N400 PolarHBondContact O-N 2.85Å; N400-A515 HydrophobicContact CB-CB 4.2Å; N400-A515 PolarHBondContact O-N 3.35Å
401	F	74.4	Confident	62.9	Low	48 Å²	48	102.5 Å²	102.5	21%	0.211	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.7	132.4	163.9	-78.3	-101.3	0	0	0	110.2	C399 T403 L418 I495 E513 K514	C399-F401 VanDerWaalsContact C-N 3.35Å; C399-F401 HydrophobicContact CB-CD2 4.18Å; C399-F401 HydrophobicContact CB-CE2 4.3Å; C399-F401 PolarHBondContact O-N 2.74Å; F401-T403 HydrophobicContact CB-CG2 4.46Å; F401-L418 HydrophobicContact CB-CD1 4.23Å; F401-L418 HydrophobicContact CB-CD2 4.33Å; F401-L418 HydrophobicContact CD1-CD2 3.82Å; F401-L418 HydrophobicContact CD2-CD1 3.62Å; F401-L418 HydrophobicContact CD2-CD2 4.26Å; F401-L418 HydrophobicContact CD2-CG 4.49Å; F401-L418 HydrophobicContact CE1-CD2 4.09Å; F401-L418 HydrophobicContact CE2-CD1 4.04Å; F401-L418 HydrophobicContact CG-CD1 3.94Å; F401-L418 HydrophobicContact CG-CD2 3.9Å; F401-L418 HydrophobicContact CZ-CD2 4.42Å; F401-I495 HydrophobicContact CE1-CD1 4.48Å; F401-E513 WeakPolarHBondContact CA-O 3.14Å; F401-K514 HydrophobicContact CD1-CB 4.02Å; F401-K514 HydrophobicContact CE1-CB 3.74Å; F401-K514 HydrophobicContact CE2-CB 4.33Å; F401-K514 HydrophobicContact CE2-CD 4.43Å; F401-K514 HydrophobicContact CE2-CG 4.32Å; F401-K514 HydrophobicContact CG-CB 4.44Å; F401-K514 HydrophobicContact CZ-CB 3.91Å; F401-K514 HydrophobicContact CZ-CD 4.33Å; F401-K514 HydrophobicContact CZ-CG 4.31Å
402	Q	78.9	Confident	65.2	Low	109 Å²	109	99.8 Å²	99.8	51%	0.509	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128	166.2	-175.4	174.8	-1.4	0	0	108.5	H404 S512 E513	Q402-H404 VanDerWaalsContact CG-NE2 3.33Å; Q402-H404 WeakPolarHBondContact CG-NE2 3.35Å; Q402-H404 PolarHBondContact NE2-CE1 2.71Å; Q402-H404 PolarHBondContact NE2-NE2 3.47Å; Q402-S512 WeakPolarHBondContact O-CA 3.23Å; Q402-E513 PolarHBondContact N-O 2.8Å; Q402-E513 PolarHBondContact O-N 2.84Å
403	T	78.5	Confident	68.1	Low	73 Å²	73	93.6 Å²	93.6	45%	0.448	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.4	-174.8	71.4	0	0	0	0	111.5	F401 E511 S512	F401-T403 HydrophobicContact CB-CG2 4.46Å; T403-E511 CarbonylContact C-O 3.57Å; T403-E511 WeakPolarHBondContact CA-O 3.35Å; T403-S512 WeakPolarHBondContact CG2-OG 3.22Å
404	H	84.2	Confident	70.8	Confident	132 Å²	132	86.7 Å²	86.7	61%	0.611	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.7	176.5	-65.9	-80.7	0	0	0	110	Q402 W509 R510 E511	Q402-H404 VanDerWaalsContact CG-NE2 3.33Å; Q402-H404 WeakPolarHBondContact CG-NE2 3.35Å; Q402-H404 PolarHBondContact NE2-CE1 2.71Å; Q402-H404 PolarHBondContact NE2-NE2 3.47Å; H404-W509 HydrophobicContact CB-CH2 4.19Å; H404-W509 HydrophobicContact CB-CZ3 4.07Å; H404-R510 CarbonylContact O-C 3.56Å; H404-R510 VanDerWaalsContact O-CA 3.29Å; H404-R510 WeakPolarHBondContact O-CA 3.21Å; H404-R510 WeakPolarHBondContact O-CG 3.15Å; H404-E511 PolarHBondContact N-O 2.84Å; H404-E511 PolarHBondContact O-N 3.41Å
405	A	88.2	Confident	73.6	Confident	61 Å²	61	84.8 Å²	84.8	50%	0.504	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	147.3	178	0	0	0	0	0	111	W509 R510	A405-W509 VanDerWaalsContact CA-O 3.31Å; A405-W509 WeakPolarHBondContact CA-O 3.45Å; A405-R510 HydrophobicContact CB-CB 4.24Å; A405-R510 HydrophobicContact CB-CG 4.09Å
406	D	85.2	Confident	76.4	Confident	76 Å²	76	79.2 Å²	79.2	41%	0.406	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	154.3	176	173	43.3	0	0	0	109.9	W509	D406-W509 HydrophobicContact CB-CZ2 3.76Å; D406-W509 PolarHBondContact N-O 3.45Å; D406-W509 VanDerWaalsContact N-O 3.08Å; D406-W509 PolarHBondContact O-N 3.43Å
407	F	87.8	Confident	79.1	Confident	105 Å²	105	73.1 Å²	73.1	46%	0.461	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	154.5	-174.6	65.5	-85.2	0	0	0	114.1	H412 V507 A508	F407-H412 HydrophobicContact CB-CB 3.81Å; F407-H412 HydrophobicContact CD1-CB 3.72Å; F407-H412 HydrophobicContact CD2-CB 3.96Å; F407-H412 HydrophobicContact CE1-CB 4.24Å; F407-H412 HydrophobicContact CE2-CB 4.46Å; F407-H412 HydrophobicContact CG-CB 3.56Å; F407-V507 CarbonylContact C-O 3.6Å; F407-V507 WeakPolarHBondContact CA-O 3.45Å; F407-A508 HydrophobicContact CB-CB 3.73Å
408	K	82.8	Confident	81.5	Confident	148 Å²	148	69.6 Å²	69.6	64%	0.643	37%	0.371	S	S	*	.	S	Bend	trans	-135.4	90.6	-174.9	-64.4	173.2	-175.2	168.8	0	108.5	V507	K408-V507 PolarHBondContact N-O 2.85Å
409	G	82.1	Confident	83.4	Confident	41 Å²	41	68.9 Å²	68.9	42%	0.423	37%	0.368	S	S	.	.	S	Bend	trans	127.8	-161.2	-178.7	0	0	0	0	0	112.9
410	E	86.8	Confident	85.3	Confident	94 Å²	94	65.1 Å²	65.1	44%	0.439	34%	0.342	S	S	.	.	S	Bend	trans	-81.5	-27.4	-166	-61.5	73.8	-154.8	0	0	114	N427 N428 S429 V433	E410-N427 PolarHBondContact O-OD1 2.77Å; E410-N428 PolarHBondContact O-N 2.89Å; E410-S429 VanDerWaalsContact CG-CB 3.48Å; E410-V433 HydrophobicContact CB-CG2 3.55Å; E410-V433 HydrophobicContact CG-CG2 3.93Å
411	V	91.6	Very high	86.5	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.012	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.3	-169.7	-177.8	0	0	0	0	109.9	L425 V426 N427 V433 I435 W438 L459 L499	V411-L425 HydrophobicContact CG1-CB 4.23Å; V411-L425 HydrophobicContact CG1-CD1 4.46Å; V411-V426 WeakPolarHBondContact CA-O 3.46Å; V411-N427 HydrophobicContact CG2-CB 4.15Å; V411-V433 HydrophobicContact CG2-CB 4.04Å; V411-V433 HydrophobicContact CG2-CG1 3.81Å; V411-V433 HydrophobicContact CG2-CG2 4.21Å; V411-I435 HydrophobicContact CG2-CG2 4.03Å; V411-W438 HydrophobicContact CB-CH2 4.4Å; V411-W438 HydrophobicContact CB-CZ3 4.07Å; V411-W438 HydrophobicContact CG2-CH2 4.29Å; V411-W438 HydrophobicContact CG2-CZ3 4.34Å; V411-L459 HydrophobicContact CG1-CD2 3.86Å; V411-L459 HydrophobicContact CG2-CD2 4.2Å; V411-L499 HydrophobicContact CB-CD2 4.47Å; V411-L499 HydrophobicContact CG1-CD2 3.91Å
412	H	89.4	Confident	87.5	Confident	30 Å²	30	62.1 Å²	62.1	14%	0.139	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	160.8	178.1	61.8	-89.2	0	0	0	112.6	F407 L414 L425 V426	F407-H412 HydrophobicContact CB-CB 3.81Å; F407-H412 HydrophobicContact CD1-CB 3.72Å; F407-H412 HydrophobicContact CD2-CB 3.96Å; F407-H412 HydrophobicContact CE1-CB 4.24Å; F407-H412 HydrophobicContact CE2-CB 4.46Å; F407-H412 HydrophobicContact CG-CB 3.56Å; H412-L414 PolarHBondContact O-N 3.42Å; H412-L425 WeakPolarHBondContact O-CA 3.49Å; H412-V426 WeakPolarHBondContact CE1-CG1 3.16Å; H412-V426 PolarHBondContact N-O 3.2Å; H412-V426 WeakPolarHBondContact NE2-CG1 3.23Å; H412-V426 PolarHBondContact O-N 2.92Å
413	I	92.7	Very high	88.3	Confident	5 Å²	5	57 Å²	57	3%	0.026	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	102.6	172	-57.7	168.2	0	0	0	106.9	D415 V423 L425 T497 A508 R510	I413-D415 VanDerWaalsContact C-N 3.33Å; I413-D415 WeakPolarHBondContact CG2-O 3.43Å; I413-V423 HydrophobicContact CG2-CG1 4.07Å; I413-L425 HydrophobicContact CB-CD2 4.2Å; I413-L425 HydrophobicContact CG1-CD2 3.63Å; I413-T497 HydrophobicContact CD1-CG2 4Å; I413-T497 WeakPolarHBondContact CD1-O 3.44Å; I413-A508 HydrophobicContact CG1-CB 4.28Å; I413-R510 HydrophobicContact CB-CB 4.29Å; I413-R510 HydrophobicContact CD1-CB 4.34Å; I413-R510 HydrophobicContact CG2-CB 4.04Å; I413-R510 PolarHBondContact O-NH1 3.28Å
414	L	90.2	Very high	89.2	Confident	74 Å²	74	56.2 Å²	56.2	39%	0.387	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	-40.5	175.7	178.5	59.7	0	0	0	110.7	H412 K424 V426 T464 R510	H412-L414 PolarHBondContact O-N 3.42Å; L414-K424 HydrophobicContact CD2-CD 4.13Å; L414-K424 HydrophobicContact CD2-CG 4.37Å; L414-K424 PolarHBondContact N-O 2.83Å; L414-V426 HydrophobicContact CB-CB 4.17Å; L414-V426 HydrophobicContact CB-CG1 3.89Å; L414-V426 HydrophobicContact CD1-CG1 4.4Å; L414-V426 HydrophobicContact CD2-CB 4.31Å; L414-V426 HydrophobicContact CD2-CG1 4.47Å; L414-V426 HydrophobicContact CG-CG1 4.48Å; L414-T464 HydrophobicContact CD2-CG2 3.97Å; L414-R510 VanDerWaalsContact C-NH1 3.28Å; L414-R510 PolarHBondContact O-NH1 3.25Å; L414-R510 PolarHBondContact O-NH2 2.81Å
415	D	90.1	Very high	89.7	Confident	58 Å²	58	50 Å²	50	31%	0.31	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	154.4	-177.7	-165.4	21	0	0	0	113	I413 F422 K424 R510	I413-D415 VanDerWaalsContact C-N 3.33Å; I413-D415 WeakPolarHBondContact CG2-O 3.43Å; D415-F422 HydrophobicContact CB-CE2 4.32Å; D415-F422 WeakPolarHBondContact OD2-CE2 3.25Å; D415-K424 HydrophobicContact CB-CB 4.27Å; D415-K424 PolarHBondContact N-O 2.92Å; D415-K424 PolarHBondContact O-N 3.03Å; D415-R510 IonicContact OD1-NH2 3.69Å
416	H	90	Very high	89.9	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.019	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	132.4	162.5	72.5	-127.2	0	0	0	110.4	V423 I495 T497 R510 S512	H416-V423 HydrophobicContact CB-CG1 4.34Å; H416-V423 HydrophobicContact CB-CG2 4.01Å; H416-I495 WeakPolarHBondContact NE2-CG2 3.14Å; H416-T497 PolarHBondContact ND1-OG1 2.95Å; H416-R510 PolarHBondContact CE1-O 2.89Å; H416-R510 VanDerWaalsContact CE1-O 3.25Å; H416-R510 WeakPolarHBondContact ND1-CD 3.35Å; H416-S512 PolarHBondContact CE1-OG 2.98Å; H416-S512 WeakPolarHBondContact NE2-CB 3.33Å; H416-S512 PolarHBondContact NE2-OG 3.23Å
417	D	90.5	Very high	90.3	Very high	32 Å²	32	44 Å²	44	17%	0.171	22%	0.224	C	C	.	.			trans	-73	131	-175.2	-175.4	78.7	0	0	0	111.5	D419 G420 M421 F422 R442	D417-D419 VanDerWaalsContact OD2-C 3.25Å; D417-D419 WeakPolarHBondContact OD2-CA 3.36Å; D417-D419 PolarHBondContact OD2-N 2.86Å; D417-D419 VanDerWaalsContact OD2-N 3.16Å; D417-G420 PolarHBondContact O-N 3.46Å; D417-G420 PolarHBondContact OD2-N 3.33Å; D417-M421 HydrophobicContact CB-CB 4.38Å; D417-M421 WeakPolarHBondContact OD2-CB 3.35Å; D417-M421 WeakPolarHBondContact OD2-CG 3.37Å; D417-M421 PolarHBondContact OD2-N 3.48Å; D417-F422 HydrophobicContact CB-CD1 3.7Å; D417-F422 HydrophobicContact CB-CD2 4.4Å; D417-F422 HydrophobicContact CB-CE1 3.71Å; D417-F422 HydrophobicContact CB-CE2 4.42Å; D417-F422 HydrophobicContact CB-CG 4.04Å; D417-F422 HydrophobicContact CB-CZ 4.07Å; D417-F422 VanDerWaalsContact CB-O 3.28Å; D417-F422 WeakPolarHBondContact CB-O 3.33Å; D417-F422 PolarHBondContact N-O 3.02Å; D417-F422 WeakPolarHBondContact OD1-CE1 3.31Å; D417-R442 VanDerWaalsContact O-CZ 3.29Å; D417-R442 PolarHBondContact O-NH1 2.83Å; D417-R442 PolarHBondContact O-NH2 3.31Å
418	L	85.6	Confident	90.3	Very high	41 Å²	41	43.7 Å²	43.7	22%	0.215	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-40.9	-176.1	-64.1	173.2	0	0	0	111.3	F401 G420 V491 I495	F401-L418 HydrophobicContact CB-CD1 4.23Å; F401-L418 HydrophobicContact CB-CD2 4.33Å; F401-L418 HydrophobicContact CD1-CD2 3.82Å; F401-L418 HydrophobicContact CD2-CD1 3.62Å; F401-L418 HydrophobicContact CD2-CD2 4.26Å; F401-L418 HydrophobicContact CD2-CG 4.49Å; F401-L418 HydrophobicContact CE1-CD2 4.09Å; F401-L418 HydrophobicContact CE2-CD1 4.04Å; F401-L418 HydrophobicContact CG-CD1 3.94Å; F401-L418 HydrophobicContact CG-CD2 3.9Å; F401-L418 HydrophobicContact CZ-CD2 4.42Å; L418-G420 PolarHBondContact O-N 3Å; L418-V491 WeakPolarHBondContact O-CG1 3.11Å; L418-I495 HydrophobicContact CD2-CD1 4.13Å
419	D	85.7	Confident	90.3	Very high	128 Å²	128	38.7 Å²	38.7	68%	0.684	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	4.1	177.2	-61.6	-51.3	0	0	0	113.5	D417 V491	D417-D419 VanDerWaalsContact OD2-C 3.25Å; D417-D419 WeakPolarHBondContact OD2-CA 3.36Å; D417-D419 PolarHBondContact OD2-N 2.86Å; D417-D419 VanDerWaalsContact OD2-N 3.16Å; D419-V491 VanDerWaalsContact O-CG2 3.3Å; D419-V491 WeakPolarHBondContact O-CG2 3.31Å
420	G	89.6	Confident	90.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	80.3	15.9	171.7	0	0	0	0	0	114.8	D417 L418 S469 W489	D417-G420 PolarHBondContact O-N 3.46Å; D417-G420 PolarHBondContact OD2-N 3.33Å; L418-G420 PolarHBondContact O-N 3Å; G420-S469 WeakPolarHBondContact O-CB 3.33Å; G420-S469 PolarHBondContact O-OG 2.92Å; G420-W489 WeakPolarHBondContact O-CB 3.44Å
421	M	92.5	Very high	90.8	Very high	65 Å²	65	41.6 Å²	41.6	32%	0.32	23%	0.226	S	C	.	.	S	Bend	trans	-72.7	-36.9	-177.6	-61.3	-64.9	-91.1	0	0	112.8	D417 W468 S469	D417-M421 HydrophobicContact CB-CB 4.38Å; D417-M421 WeakPolarHBondContact OD2-CB 3.35Å; D417-M421 WeakPolarHBondContact OD2-CG 3.37Å; D417-M421 PolarHBondContact OD2-N 3.48Å; M421-W468 WeakPolarHBondContact O-CA 3.27Å; M421-S469 PolarHBondContact O-N 2.73Å
422	F	95.3	Very high	90.9	Very high	26 Å²	26	45.3 Å²	45.3	11%	0.114	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	168.1	179.4	67.4	-89.3	0	0	0	115.2	D415 D417 K424 T466 V467 W468	D415-F422 HydrophobicContact CB-CE2 4.32Å; D415-F422 WeakPolarHBondContact OD2-CE2 3.25Å; D417-F422 HydrophobicContact CB-CD1 3.7Å; D417-F422 HydrophobicContact CB-CD2 4.4Å; D417-F422 HydrophobicContact CB-CE1 3.71Å; D417-F422 HydrophobicContact CB-CE2 4.42Å; D417-F422 HydrophobicContact CB-CG 4.04Å; D417-F422 HydrophobicContact CB-CZ 4.07Å; D417-F422 VanDerWaalsContact CB-O 3.28Å; D417-F422 WeakPolarHBondContact CB-O 3.33Å; D417-F422 PolarHBondContact N-O 3.02Å; D417-F422 WeakPolarHBondContact OD1-CE1 3.31Å; F422-K424 HydrophobicContact CD2-CB 4.13Å; F422-K424 HydrophobicContact CE2-CB 4.19Å; F422-T466 HydrophobicContact CB-CG2 3.68Å; F422-T466 HydrophobicContact CD2-CG2 3.93Å; F422-T466 HydrophobicContact CG-CG2 4Å; F422-V467 CarbonylContact C-O 3.54Å; F422-V467 WeakPolarHBondContact CA-O 3.25Å; F422-W468 HydrophobicContact CB-CD2 3.94Å; F422-W468 HydrophobicContact CB-CE3 3.65Å; F422-W468 HydrophobicContact CB-CG 4.48Å; F422-W468 HydrophobicContact CB-CZ3 4Å; F422-W468 HydrophobicContact CD1-CE3 4.2Å; F422-W468 HydrophobicContact CD1-CH2 4.09Å; F422-W468 AromaticContact CD1-CZ3 3.67Å; F422-W468 HydrophobicContact CD1-CZ3 3.67Å; F422-W468 HydrophobicContact CG-CE3 4.29Å; F422-W468 HydrophobicContact CG-CH2 4.46Å; F422-W468 HydrophobicContact CG-CZ3 4.13Å
423	V	96.5	Very high	91	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.8	158.8	178.3	0	0	0	0	107.9	I413 H416 L425 L440 T466 V467 W489 T497	I413-V423 HydrophobicContact CG2-CG1 4.07Å; H416-V423 HydrophobicContact CB-CG1 4.34Å; H416-V423 HydrophobicContact CB-CG2 4.01Å; V423-L425 HydrophobicContact CG1-CD2 4.39Å; V423-L440 HydrophobicContact CB-CD2 3.99Å; V423-L440 HydrophobicContact CG1-CD1 4.23Å; V423-L440 HydrophobicContact CG1-CD2 3.85Å; V423-T466 CarbonylContact O-C 3.58Å; V423-T466 WeakPolarHBondContact O-CA 3.36Å; V423-V467 PolarHBondContact N-O 3.4Å; V423-V467 PolarHBondContact O-N 3.43Å; V423-W489 HydrophobicContact CB-CZ2 4.38Å; V423-W489 HydrophobicContact CG2-CD2 4.07Å; V423-W489 HydrophobicContact CG2-CG 4.28Å; V423-W489 HydrophobicContact CG2-CZ2 4.04Å; V423-T497 HydrophobicContact CG1-CG2 3.98Å; V423-T497 HydrophobicContact CG2-CG2 4.05Å
424	K	95.4	Very high	91	Very high	57 Å²	57	48.3 Å²	48.3	25%	0.248	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.6	-176.8	-166.4	170.5	-72.1	157.3	0	110.5	L414 D415 F422 T464 T466	L414-K424 HydrophobicContact CD2-CD 4.13Å; L414-K424 HydrophobicContact CD2-CG 4.37Å; L414-K424 PolarHBondContact N-O 2.83Å; D415-K424 HydrophobicContact CB-CB 4.27Å; D415-K424 PolarHBondContact N-O 2.92Å; D415-K424 PolarHBondContact O-N 3.03Å; F422-K424 HydrophobicContact CD2-CB 4.13Å; F422-K424 HydrophobicContact CE2-CB 4.19Å; K424-T464 HydrophobicContact CD-CG2 4.45Å; K424-T464 HydrophobicContact CG-CG2 4.38Å; K424-T466 WeakPolarHBondContact CE-OG1 3.28Å
425	L	95.4	Very high	91.1	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	156.6	172.9	-50.6	-176.4	0	0	0	110.1	V411 H412 I413 V423 L440 F453 T464 V465 L499	V411-L425 HydrophobicContact CG1-CB 4.23Å; V411-L425 HydrophobicContact CG1-CD1 4.46Å; H412-L425 WeakPolarHBondContact O-CA 3.49Å; I413-L425 HydrophobicContact CB-CD2 4.2Å; I413-L425 HydrophobicContact CG1-CD2 3.63Å; V423-L425 HydrophobicContact CG1-CD2 4.39Å; L425-L440 HydrophobicContact CD2-CD1 4.38Å; L425-F453 HydrophobicContact CD1-CE2 3.95Å; L425-F453 HydrophobicContact CD1-CZ 3.57Å; L425-T464 CarbonylContact O-C 3.57Å; L425-T464 WeakPolarHBondContact O-CA 3.26Å; L425-T464 WeakPolarHBondContact O-CB 3.48Å; L425-V465 HydrophobicContact CB-CG1 3.86Å; L425-V465 HydrophobicContact CD1-CG1 4.29Å; L425-V465 HydrophobicContact CG-CG1 4.37Å; L425-V465 PolarHBondContact N-O 2.84Å; L425-V465 PolarHBondContact O-N 3.44Å; L425-L499 HydrophobicContact CD1-CD1 3.87Å; L425-L499 HydrophobicContact CD1-CD2 3.96Å; L425-L499 HydrophobicContact CD2-CD2 4.25Å
426	V	93.6	Very high	91.2	Very high	13 Å²	13	42.9 Å²	42.9	8%	0.079	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.9	172.1	74.2	0	0	0	0	110.7	V411 H412 L414 N428 K463 T464	V411-V426 WeakPolarHBondContact CA-O 3.46Å; H412-V426 WeakPolarHBondContact CE1-CG1 3.16Å; H412-V426 PolarHBondContact N-O 3.2Å; H412-V426 WeakPolarHBondContact NE2-CG1 3.23Å; H412-V426 PolarHBondContact O-N 2.92Å; L414-V426 HydrophobicContact CB-CB 4.17Å; L414-V426 HydrophobicContact CB-CG1 3.89Å; L414-V426 HydrophobicContact CD1-CG1 4.4Å; L414-V426 HydrophobicContact CD2-CB 4.31Å; L414-V426 HydrophobicContact CD2-CG1 4.47Å; L414-V426 HydrophobicContact CG-CG1 4.48Å; V426-N428 WeakPolarHBondContact CG1-OD1 3.21Å; V426-N428 WeakPolarHBondContact CG2-OD1 3.31Å; V426-K463 WeakPolarHBondContact CG2-O 3.39Å; V426-T464 HydrophobicContact CB-CG2 3.95Å; V426-T464 HydrophobicContact CG2-CG2 3.68Å
427	N	93.2	Very high	91.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.2	175.6	172.4	9.8	0	0	0	109.7	E410 V411 S429 Q431 V433 L459 K460 D462 K463	E410-N427 PolarHBondContact O-OD1 2.77Å; V411-N427 HydrophobicContact CG2-CB 4.15Å; N427-S429 WeakPolarHBondContact OD1-CB 3.48Å; N427-S429 PolarHBondContact OD1-N 3.23Å; N427-S429 VanDerWaalsContact OD1-N 3.11Å; N427-S429 PolarHBondContact OD1-OG 3.24Å; N427-Q431 PolarHBondContact ND2-O 3.37Å; N427-V433 WeakPolarHBondContact ND2-CG2 3.41Å; N427-L459 HydrophobicContact CB-CD2 3.79Å; N427-L459 HydrophobicContact CB-CG 3.79Å; N427-L459 PolarHBondContact ND2-O 3.3Å; N427-K460 PolarHBondContact ND2-O 3Å; N427-D462 VanDerWaalsContact O-CA 3.28Å; N427-D462 WeakPolarHBondContact O-CA 3.32Å; N427-D462 PolarHBondContact O-N 3.11Å; N427-K463 PolarHBondContact N-O 2.68Å
428	N	87.4	Confident	91.5	Very high	97 Å²	97	43 Å²	43	52%	0.519	25%	0.246	S	C	.	.			trans	-114.9	20.2	-178.1	-68.6	24.2	0	0	0	112.5	E410 V426 G430	E410-N428 PolarHBondContact O-N 2.89Å; V426-N428 WeakPolarHBondContact CG1-OD1 3.21Å; V426-N428 WeakPolarHBondContact CG2-OD1 3.31Å; N428-G430 VanDerWaalsContact C-N 3.34Å
429	S	83	Confident	92	Very high	44 Å²	44	41.7 Å²	41.7	31%	0.308	24%	0.24	S	C	.	.	S	Bend	trans	-82.4	-7.2	-177.3	65	0	0	0	0	115.1	E410 N427 Q431	E410-S429 VanDerWaalsContact CG-CB 3.48Å; N427-S429 WeakPolarHBondContact OD1-CB 3.48Å; N427-S429 PolarHBondContact OD1-N 3.23Å; N427-S429 VanDerWaalsContact OD1-N 3.11Å; N427-S429 PolarHBondContact OD1-OG 3.24Å; S429-Q431 PolarHBondContact O-N 2.88Å; S429-Q431 PolarHBondContact OG-N 2.83Å; S429-Q431 PolarHBondContact OG-O 3.37Å
430	G	87	Confident	92.6	Very high	49 Å²	49	35.6 Å²	35.6	51%	0.505	21%	0.207	S	C	.	.	S	Bend	trans	71.9	-0.3	-169.4	0	0	0	0	0	115	N428 S461	N428-G430 VanDerWaalsContact C-N 3.34Å; G430-S461 WeakPolarHBondContact O-CB 3.31Å
431	Q	92.2	Very high	92.9	Very high	146 Å²	146	37.7 Å²	37.7	68%	0.682	22%	0.216	S	C	*	.	S	Bend	trans	-121.7	156.4	179.7	-57	-171.1	26.6	0	0	112	N427 S429	N427-Q431 PolarHBondContact ND2-O 3.37Å; S429-Q431 PolarHBondContact O-N 2.88Å; S429-Q431 PolarHBondContact OG-N 2.83Å; S429-Q431 PolarHBondContact OG-O 3.37Å
432	D	93.1	Very high	93.1	Very high	80 Å²	80	34.6 Å²	34.6	43%	0.428	20%	0.201	S	C	.	.			trans	-79.5	116.3	177.8	-85.3	17.5	0	0	0	110.7	V458 K460 S461	D432-V458 HydrophobicContact CB-CG1 3.93Å; D432-K460 WeakPolarHBondContact OD1-CA 3.24Å; D432-K460 WeakPolarHBondContact OD1-CB 3.35Å; D432-K460 WeakPolarHBondContact OD2-CG 3.5Å; D432-S461 PolarHBondContact OD1-N 2.89Å
433	V	92.1	Very high	93.1	Very high	10 Å²	10	38.6 Å²	38.6	6%	0.061	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-101	123.3	-172.6	178.7	0	0	0	0	111.8	E410 V411 N427 I435 W438 V458 L459	E410-V433 HydrophobicContact CB-CG2 3.55Å; E410-V433 HydrophobicContact CG-CG2 3.93Å; V411-V433 HydrophobicContact CG2-CB 4.04Å; V411-V433 HydrophobicContact CG2-CG1 3.81Å; V411-V433 HydrophobicContact CG2-CG2 4.21Å; N427-V433 WeakPolarHBondContact ND2-CG2 3.41Å; V433-I435 HydrophobicContact CG1-CG2 3.95Å; V433-I435 PolarHBondContact O-N 2.87Å; V433-W438 HydrophobicContact CG1-CH2 4.13Å; V433-W438 HydrophobicContact CG1-CZ2 4.03Å; V433-V458 CarbonylContact O-C 3.52Å; V433-V458 WeakPolarHBondContact O-CA 3.48Å; V433-L459 PolarHBondContact N-O 2.83Å; V433-L459 PolarHBondContact O-N 2.86Å
434	P	93	Very high	92.9	Very high	88 Å²	88	38.9 Å²	38.9	57%	0.571	22%	0.22	S	C	*	.			trans	-77.2	84.9	176.9	31.9	-34.7	0	0	0	111.8	G436 W438 V458	P434-G436 PolarHBondContact O-N 3.28Å; P434-W438 PolarHBondContact O-NE1 2.88Å; P434-V458 HydrophobicContact CB-CG2 4.44Å
435	I	92.3	Very high	92.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	24%	0.243	C	C	.	.			trans	-75.5	8.6	175.1	64	164.2	0	0	0	114.2	V411 V433 G437 W438 F453 L457 L459 V465	V411-I435 HydrophobicContact CG2-CG2 4.03Å; V433-I435 HydrophobicContact CG1-CG2 3.95Å; V433-I435 PolarHBondContact O-N 2.87Å; I435-G437 PolarHBondContact O-N 3.4Å; I435-W438 HydrophobicContact CB-CD2 4.08Å; I435-W438 HydrophobicContact CB-CE3 4.37Å; I435-W438 HydrophobicContact CB-CG 4.21Å; I435-W438 HydrophobicContact CG2-CD2 4.08Å; I435-W438 HydrophobicContact CG2-CE3 4.02Å; I435-W438 HydrophobicContact CG2-CH2 4.25Å; I435-W438 HydrophobicContact CG2-CZ2 4.3Å; I435-W438 HydrophobicContact CG2-CZ3 4.11Å; I435-W438 VanDerWaalsContact O-CB 3.31Å; I435-W438 WeakPolarHBondContact O-CB 3.45Å; I435-W438 PolarHBondContact O-N 3.29Å; I435-F453 HydrophobicContact CD1-CD1 4.2Å; I435-F453 HydrophobicContact CD1-CE1 4.33Å; I435-F453 HydrophobicContact CD1-CG 4.41Å; I435-F453 WeakPolarHBondContact O-CB 3.33Å; I435-L457 HydrophobicContact CD1-CD2 3.6Å; I435-L457 HydrophobicContact CD1-CG 4.03Å; I435-L457 HydrophobicContact CG1-CB 4.35Å; I435-L457 HydrophobicContact CG1-CD2 3.91Å; I435-L457 HydrophobicContact CG1-CG 3.9Å; I435-L457 PolarHBondContact N-O 2.82Å; I435-L459 HydrophobicContact CD1-CB 3.86Å; I435-L459 HydrophobicContact CD1-CD2 4.35Å; I435-L459 HydrophobicContact CG1-CB 4Å; I435-L459 HydrophobicContact CG2-CB 4.13Å; I435-V465 HydrophobicContact CD1-CG1 4.03Å
436	G	91.4	Very high	91.8	Very high	17 Å²	17	43.7 Å²	43.7	18%	0.175	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	128.4	177.5	0	0	0	0	0	112.1	P434 W438 H454 L457	P434-G436 PolarHBondContact O-N 3.28Å; G436-W438 VanDerWaalsContact C-N 3.26Å; G436-W438 PolarHBondContact O-N 2.75Å; G436-H454 WeakPolarHBondContact CA-O 3.27Å; G436-L457 PolarHBondContact N-O 2.69Å
437	G	91.5	Very high	91.8	Very high	14 Å²	14	45.5 Å²	45.5	14%	0.144	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	81	-6.7	-179.7	0	0	0	0	0	115.6	I435 K452 F453	I435-G437 PolarHBondContact O-N 3.4Å; G437-K452 WeakPolarHBondContact O-CE 3.28Å; G437-K452 PolarHBondContact O-NZ 3.11Å; G437-F453 WeakPolarHBondContact CA-O 3.11Å; G437-F453 PolarHBondContact N-O 2.94Å
438	W	96	Very high	91.9	Very high	25 Å²	25	50 Å²	50	10%	0.095	32%	0.324	C	S	.	.			trans	-62.6	158.2	171.6	-68.7	33.6	0	0	0	110.5	V411 V433 P434 I435 G436 K452 F453 L499 F500 N501 V507	V411-W438 HydrophobicContact CB-CH2 4.4Å; V411-W438 HydrophobicContact CB-CZ3 4.07Å; V411-W438 HydrophobicContact CG2-CH2 4.29Å; V411-W438 HydrophobicContact CG2-CZ3 4.34Å; V433-W438 HydrophobicContact CG1-CH2 4.13Å; V433-W438 HydrophobicContact CG1-CZ2 4.03Å; P434-W438 PolarHBondContact O-NE1 2.88Å; I435-W438 HydrophobicContact CB-CD2 4.08Å; I435-W438 HydrophobicContact CB-CE3 4.37Å; I435-W438 HydrophobicContact CB-CG 4.21Å; I435-W438 HydrophobicContact CG2-CD2 4.08Å; I435-W438 HydrophobicContact CG2-CE3 4.02Å; I435-W438 HydrophobicContact CG2-CH2 4.25Å; I435-W438 HydrophobicContact CG2-CZ2 4.3Å; I435-W438 HydrophobicContact CG2-CZ3 4.11Å; I435-W438 VanDerWaalsContact O-CB 3.31Å; I435-W438 WeakPolarHBondContact O-CB 3.45Å; I435-W438 PolarHBondContact O-N 3.29Å; G436-W438 VanDerWaalsContact C-N 3.26Å; G436-W438 PolarHBondContact O-N 2.75Å; W438-K452 WeakPolarHBondContact O-CA 3.36Å; W438-F453 HydrophobicContact CB-CD2 4.03Å; W438-F453 WeakPolarHBondContact O-CD2 3.44Å; W438-F453 PolarHBondContact O-N 2.83Å; W438-L499 HydrophobicContact CE3-CD1 4.2Å; W438-L499 HydrophobicContact CE3-CD2 4.04Å; W438-L499 HydrophobicContact CE3-CG 4.05Å; W438-L499 HydrophobicContact CZ3-CD2 3.99Å; W438-L499 HydrophobicContact CZ3-CG 4.4Å; W438-F500 WeakPolarHBondContact CA-O 3.41Å; W438-F500 VanDerWaalsContact CB-O 3.27Å; W438-F500 WeakPolarHBondContact CB-O 3.41Å; W438-N501 HydrophobicContact CD2-CB 4.27Å; W438-N501 HydrophobicContact CZ2-CB 4.31Å; W438-V507 HydrophobicContact CE3-CG2 4.15Å; W438-V507 HydrophobicContact CH2-CG2 4.43Å; W438-V507 HydrophobicContact CZ3-CG2 3.73Å
439	T	96.8	Very high	92.3	Very high	13 Å²	13	46.7 Å²	46.7	8%	0.08	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.5	178.3	70	0	0	0	0	112.8	Y451 K452 F500	T439-Y451 CarbonylContact C-O 3.57Å; T439-Y451 VanDerWaalsContact CA-O 3.3Å; T439-Y451 WeakPolarHBondContact CA-O 3.28Å; T439-K452 HydrophobicContact CG2-CB 4.05Å; T439-K452 HydrophobicContact CG2-CD 3.84Å; T439-K452 HydrophobicContact CG2-CG 3.87Å; T439-F500 PolarHBondContact N-O 3.21Å; T439-F500 PolarHBondContact O-N 2.83Å
440	L	96.6	Very high	92.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117.8	177	179.8	65	0	0	0	107.8	V423 L425 S450 Y451 F453 V467 W489 T497 L499	V423-L440 HydrophobicContact CB-CD2 3.99Å; V423-L440 HydrophobicContact CG1-CD1 4.23Å; V423-L440 HydrophobicContact CG1-CD2 3.85Å; L425-L440 HydrophobicContact CD2-CD1 4.38Å; L440-S450 WeakPolarHBondContact O-CA 3.19Å; L440-Y451 PolarHBondContact N-O 3.34Å; L440-Y451 PolarHBondContact O-N 2.69Å; L440-F453 HydrophobicContact CB-CE2 4.04Å; L440-F453 HydrophobicContact CB-CZ 4.43Å; L440-F453 HydrophobicContact CD2-CZ 4.36Å; L440-V467 HydrophobicContact CD2-CB 4.27Å; L440-V467 HydrophobicContact CD2-CG2 4.11Å; L440-W489 HydrophobicContact CB-CH2 4.35Å; L440-W489 HydrophobicContact CD2-CH2 3.78Å; L440-W489 HydrophobicContact CD2-CZ2 3.68Å; L440-W489 HydrophobicContact CG-CH2 3.82Å; L440-W489 HydrophobicContact CG-CZ2 4.24Å; L440-T497 HydrophobicContact CD1-CG2 3.74Å; L440-T497 HydrophobicContact CG-CG2 4.44Å; L440-L499 HydrophobicContact CB-CD1 4.32Å; L440-L499 HydrophobicContact CD1-CB 4.33Å; L440-L499 HydrophobicContact CD1-CD1 4.22Å
441	K	96.6	Very high	93.3	Very high	46 Å²	46	47.5 Å²	47.5	20%	0.2	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.7	-178.6	-48.9	-171.2	-171.9	162.7	0	109.6	V449 T497 T498 F500	K441-V449 CarbonylContact C-O 3.59Å; K441-V449 WeakPolarHBondContact CA-O 3.43Å; K441-T497 CarbonylContact O-C 3.57Å; K441-T497 WeakPolarHBondContact O-CA 3.16Å; K441-T498 PolarHBondContact N-O 3.41Å; K441-T498 PolarHBondContact O-N 2.84Å; K441-F500 HydrophobicContact CB-CE2 4.06Å; K441-F500 HydrophobicContact CD-CD2 4.02Å; K441-F500 HydrophobicContact CD-CE2 3.54Å; K441-F500 HydrophobicContact CD-CZ 4.41Å; K441-F500 HydrophobicContact CG-CD2 3.96Å; K441-F500 HydrophobicContact CG-CE2 3.67Å
442	R	96.2	Very high	93.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.3	175.3	-179.8	169.6	153.3	155.9	-0.4	110.1	D417 E448 V449 W489 P490 I495 R496 T497	D417-R442 VanDerWaalsContact O-CZ 3.29Å; D417-R442 PolarHBondContact O-NH1 2.83Å; D417-R442 PolarHBondContact O-NH2 3.31Å; R442-E448 WeakPolarHBondContact O-CA 3.34Å; R442-V449 PolarHBondContact N-O 2.86Å; R442-V449 PolarHBondContact O-N 3.35Å; R442-W489 HydrophobicContact CB-CD2 4.49Å; R442-W489 HydrophobicContact CB-CE3 3.62Å; R442-W489 HydrophobicContact CB-CZ3 3.89Å; R442-W489 HydrophobicContact CG-CE3 4.44Å; R442-P490 HydrophobicContact CB-CG 4.46Å; R442-P490 HydrophobicContact CG-CG 4.12Å; R442-P490 VanDerWaalsContact CZ-O 3.32Å; R442-P490 PolarHBondContact NE-O 2.91Å; R442-P490 PolarHBondContact NH2-O 2.9Å; R442-P490 WeakPolarHBondContact O-CG 3.24Å; R442-I495 HydrophobicContact CG-CG2 4.06Å; R442-R496 CarbonylContact C-O 3.56Å; R442-R496 WeakPolarHBondContact CA-O 3.49Å; R442-T497 HydrophobicContact CB-CG2 4.28Å; R442-T497 WeakPolarHBondContact CD-OG1 3.32Å; R442-T497 WeakPolarHBondContact CG-OG1 3.29Å
443	K	95.4	Very high	93.5	Very high	110 Å²	110	43 Å²	43	48%	0.478	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.5	178.5	-57.9	-170.9	-172.5	-123.1	0	109.7	A447 E448 I495 R496	K443-A447 WeakPolarHBondContact CA-O 3.16Å; K443-E448 WeakPolarHBondContact CE-OE1 3.45Å; K443-E448 VanDerWaalsContact CE-OE2 3.32Å; K443-E448 WeakPolarHBondContact CE-OE2 3.5Å; K443-E448 HydrophobicContact CG-CB 4.1Å; K443-E448 HydrophobicContact CG-CG 3.99Å; K443-E448 IonicContact NZ-OE1 3.88Å; K443-E448 PolarHBondContact NZ-OE1 2.71Å; K443-E448 IonicContact NZ-OE2 3.96Å; K443-E448 PolarHBondContact NZ-OE2 3.45Å; K443-I495 WeakPolarHBondContact O-CA 3.29Å; K443-R496 PolarHBondContact N-O 3.14Å; K443-R496 PolarHBondContact O-N 2.82Å
444	A	92.7	Very high	93.5	Very high	5 Å²	5	49 Å²	49	4%	0.041	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	143.8	171.2	0	0	0	0	0	110.3	G446 A447 P490 R494 I495	A444-G446 PolarHBondContact O-N 2.93Å; A444-A447 PolarHBondContact N-O 3Å; A444-A447 PolarHBondContact O-N 3.17Å; A444-P490 HydrophobicContact CB-CB 4.11Å; A444-P490 HydrophobicContact CB-CG 4.35Å; A444-P490 WeakPolarHBondContact CB-O 3.49Å; A444-R494 WeakPolarHBondContact CA-O 3.17Å; A444-R494 WeakPolarHBondContact CB-O 3.02Å; A444-I495 HydrophobicContact CB-CB 4.33Å; A444-I495 HydrophobicContact CB-CG1 3.87Å; A444-I495 HydrophobicContact CB-CG2 4.46Å
445	G	82.6	Confident	93.3	Very high	70 Å²	70	48.7 Å²	48.7	72%	0.722	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	17.9	175	0	0	0	0	0	116
446	G	85.9	Confident	93.1	Very high	89 Å²	89	57.4 Å²	57.4	92%	0.918	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-9	-173.1	0	0	0	0	0	115	A444	A444-G446 PolarHBondContact O-N 2.93Å
447	A	92.6	Very high	93.1	Very high	52 Å²	52	57.6 Å²	57.6	43%	0.43	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	144.8	172.6	0	0	0	0	0	111.6	K443 A444 P490	K443-A447 WeakPolarHBondContact CA-O 3.16Å; A444-A447 PolarHBondContact N-O 3Å; A444-A447 PolarHBondContact O-N 3.17Å; A447-P490 HydrophobicContact CB-CB 3.86Å
448	E	94.9	Very high	93.2	Very high	94 Å²	94	60.1 Å²	60.1	44%	0.439	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134	171.5	177.1	167.2	-157.6	0	0	110.1	R442 K443	R442-E448 WeakPolarHBondContact O-CA 3.34Å; K443-E448 WeakPolarHBondContact CE-OE1 3.45Å; K443-E448 VanDerWaalsContact CE-OE2 3.32Å; K443-E448 WeakPolarHBondContact CE-OE2 3.5Å; K443-E448 HydrophobicContact CG-CB 4.1Å; K443-E448 HydrophobicContact CG-CG 3.99Å; K443-E448 IonicContact NZ-OE1 3.88Å; K443-E448 PolarHBondContact NZ-OE1 2.71Å; K443-E448 IonicContact NZ-OE2 3.96Å; K443-E448 PolarHBondContact NZ-OE2 3.45Å
449	V	96.2	Very high	93.1	Very high	27 Å²	27	59.3 Å²	59.3	16%	0.164	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.5	170.9	174	0	0	0	0	108.8	K441 R442 M484 Q487 Q488 W489 P490	K441-V449 CarbonylContact C-O 3.59Å; K441-V449 WeakPolarHBondContact CA-O 3.43Å; R442-V449 PolarHBondContact N-O 2.86Å; R442-V449 PolarHBondContact O-N 3.35Å; V449-M484 HydrophobicContact CG1-SD 4.26Å; V449-Q487 HydrophobicContact CG1-CB 4.38Å; V449-Q488 WeakPolarHBondContact CG2-O 3.33Å; V449-W489 HydrophobicContact CB-CE3 4.25Å; V449-W489 HydrophobicContact CB-CZ3 4.39Å; V449-W489 HydrophobicContact CG1-CE3 4.12Å; V449-W489 HydrophobicContact CG1-CZ3 4.08Å; V449-P490 HydrophobicContact CG2-CG 4.46Å
450	S	95.4	Very high	92.9	Very high	67 Å²	67	64.7 Å²	64.7	47%	0.469	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.7	179.9	59.7	0	0	0	0	111.4	L440	L440-S450 WeakPolarHBondContact O-CA 3.19Å
451	Y	95.7	Very high	92.7	Very high	44 Å²	44	66.6 Å²	66.6	17%	0.173	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.7	178.6	-179.7	-98.9	0	0	0	109.5	T439 L440 F453 V467 L482 M484	T439-Y451 CarbonylContact C-O 3.57Å; T439-Y451 VanDerWaalsContact CA-O 3.3Å; T439-Y451 WeakPolarHBondContact CA-O 3.28Å; L440-Y451 PolarHBondContact N-O 3.34Å; L440-Y451 PolarHBondContact O-N 2.69Å; Y451-F453 HydrophobicContact CD1-CD1 4.32Å; Y451-F453 HydrophobicContact CD1-CE1 4.23Å; Y451-F453 HydrophobicContact CD1-CZ 4.35Å; Y451-F453 AromaticContact CE1-CD1 3.73Å; Y451-F453 HydrophobicContact CE1-CD1 3.73Å; Y451-F453 AromaticContact CE1-CE1 3.84Å; Y451-F453 HydrophobicContact CE1-CE1 3.84Å; Y451-F453 HydrophobicContact CE1-CG 4.25Å; Y451-F453 HydrophobicContact CE1-CZ 4.42Å; Y451-V467 HydrophobicContact CD1-CG1 3.82Å; Y451-V467 HydrophobicContact CD1-CG2 4.13Å; Y451-V467 HydrophobicContact CD2-CG1 4.19Å; Y451-V467 HydrophobicContact CE1-CG1 3.98Å; Y451-V467 HydrophobicContact CE1-CG2 4.03Å; Y451-V467 HydrophobicContact CE2-CG1 4.33Å; Y451-V467 HydrophobicContact CG-CG1 3.93Å; Y451-L482 HydrophobicContact CE1-CD1 4.34Å; Y451-M484 HydrophobicContact CD2-CG 3.75Å; Y451-M484 HydrophobicContact CD2-SD 4.27Å; Y451-M484 HydrophobicContact CE2-CG 4.19Å; Y451-M484 HydrophobicContact CG-CG 4.45Å
452	K	95	Very high	92.3	Very high	128 Å²	128	69.1 Å²	69.1	56%	0.557	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.3	178.4	-173.3	156.1	-176.3	136.4	0	110.2	G437 W438 T439	G437-K452 WeakPolarHBondContact O-CE 3.28Å; G437-K452 PolarHBondContact O-NZ 3.11Å; W438-K452 WeakPolarHBondContact O-CA 3.36Å; T439-K452 HydrophobicContact CG2-CB 4.05Å; T439-K452 HydrophobicContact CG2-CD 3.84Å; T439-K452 HydrophobicContact CG2-CG 3.87Å
453	F	95.6	Very high	92.2	Very high	3 Å²	3	74.8 Å²	74.8	1%	0.013	43%	0.425	C	S	.	.			trans	-68.8	139.2	-179.9	-68.5	-78.3	0	0	0	110.9	L425 I435 G437 W438 L440 Y451 A455 L457 V467 L482 L499	L425-F453 HydrophobicContact CD1-CE2 3.95Å; L425-F453 HydrophobicContact CD1-CZ 3.57Å; I435-F453 HydrophobicContact CD1-CD1 4.2Å; I435-F453 HydrophobicContact CD1-CE1 4.33Å; I435-F453 HydrophobicContact CD1-CG 4.41Å; I435-F453 WeakPolarHBondContact O-CB 3.33Å; G437-F453 WeakPolarHBondContact CA-O 3.11Å; G437-F453 PolarHBondContact N-O 2.94Å; W438-F453 HydrophobicContact CB-CD2 4.03Å; W438-F453 WeakPolarHBondContact O-CD2 3.44Å; W438-F453 PolarHBondContact O-N 2.83Å; L440-F453 HydrophobicContact CB-CE2 4.04Å; L440-F453 HydrophobicContact CB-CZ 4.43Å; L440-F453 HydrophobicContact CD2-CZ 4.36Å; Y451-F453 HydrophobicContact CD1-CD1 4.32Å; Y451-F453 HydrophobicContact CD1-CE1 4.23Å; Y451-F453 HydrophobicContact CD1-CZ 4.35Å; Y451-F453 AromaticContact CE1-CD1 3.73Å; Y451-F453 HydrophobicContact CE1-CD1 3.73Å; Y451-F453 AromaticContact CE1-CE1 3.84Å; Y451-F453 HydrophobicContact CE1-CE1 3.84Å; Y451-F453 HydrophobicContact CE1-CG 4.25Å; Y451-F453 HydrophobicContact CE1-CZ 4.42Å; F453-A455 PolarHBondContact O-N 3.43Å; F453-L457 HydrophobicContact CB-CD2 4.13Å; F453-L457 HydrophobicContact CD1-CD2 3.5Å; F453-L457 VanDerWaalsContact CD1-CD2 3.5Å; F453-L457 HydrophobicContact CE1-CD2 4.31Å; F453-L457 HydrophobicContact CG-CD2 4.16Å; F453-V467 HydrophobicContact CE1-CG2 3.6Å; F453-V467 HydrophobicContact CZ-CG2 3.77Å; F453-L482 HydrophobicContact CD1-CD1 3.83Å; F453-L482 HydrophobicContact CE1-CD1 3.89Å; F453-L499 HydrophobicContact CE2-CD1 3.99Å
454	H	91.3	Very high	92.1	Very high	136 Å²	136	72.7 Å²	72.7	63%	0.63	42%	0.422	S	S	*	.			trans	-60.7	136.4	-180	-179.5	-102.9	0	0	0	111.2	G436 K456 L457	G436-H454 WeakPolarHBondContact CA-O 3.27Å; H454-K456 PolarHBondContact O-N 2.94Å; H454-L457 VanDerWaalsContact O-CB 3.32Å; H454-L457 WeakPolarHBondContact O-CB 3.33Å; H454-L457 PolarHBondContact O-N 3.49Å
455	A	88.3	Confident	92.2	Very high	81 Å²	81	72.5 Å²	72.5	67%	0.669	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-9	-167	0	0	0	0	0	116.6	F453	F453-A455 PolarHBondContact O-N 3.43Å
456	K	87.9	Confident	92.9	Very high	184 Å²	184	69.6 Å²	69.6	80%	0.8	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	9.4	176.2	-59.7	-172.3	178.4	-176.6	0	114	H454	H454-K456 PolarHBondContact O-N 2.94Å
457	L	92.6	Very high	93.4	Very high	21 Å²	21	65.3 Å²	65.3	11%	0.11	35%	0.345	C	S	.	.			trans	-79.1	129.9	-179	-171.1	63.8	0	0	0	111	I435 G436 F453 H454 P479 L482	I435-L457 HydrophobicContact CD1-CD2 3.6Å; I435-L457 HydrophobicContact CD1-CG 4.03Å; I435-L457 HydrophobicContact CG1-CB 4.35Å; I435-L457 HydrophobicContact CG1-CD2 3.91Å; I435-L457 HydrophobicContact CG1-CG 3.9Å; I435-L457 PolarHBondContact N-O 2.82Å; G436-L457 PolarHBondContact N-O 2.69Å; F453-L457 HydrophobicContact CB-CD2 4.13Å; F453-L457 HydrophobicContact CD1-CD2 3.5Å; F453-L457 VanDerWaalsContact CD1-CD2 3.5Å; F453-L457 HydrophobicContact CE1-CD2 4.31Å; F453-L457 HydrophobicContact CG-CD2 4.16Å; H454-L457 VanDerWaalsContact O-CB 3.32Å; H454-L457 WeakPolarHBondContact O-CB 3.33Å; H454-L457 PolarHBondContact O-N 3.49Å; L457-P479 HydrophobicContact CD1-CB 3.55Å; L457-L482 HydrophobicContact CD2-CD1 3.89Å
458	V	93	Very high	93.6	Very high	67 Å²	67	65.1 Å²	65.1	41%	0.406	33%	0.333	S	S	.	.			trans	-124.8	124	173.9	-177.7	0	0	0	0	107.6	D432 V433 P434	D432-V458 HydrophobicContact CB-CG1 3.93Å; V433-V458 CarbonylContact O-C 3.52Å; V433-V458 WeakPolarHBondContact O-CA 3.48Å; P434-V458 HydrophobicContact CB-CG2 4.44Å
459	L	93.5	Very high	93.7	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.042	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-92.2	107.7	176.7	-177.3	59.1	0	0	0	108.4	V411 N427 V433 I435 K463 V465	V411-L459 HydrophobicContact CG1-CD2 3.86Å; V411-L459 HydrophobicContact CG2-CD2 4.2Å; N427-L459 HydrophobicContact CB-CD2 3.79Å; N427-L459 HydrophobicContact CB-CG 3.79Å; N427-L459 PolarHBondContact ND2-O 3.3Å; V433-L459 PolarHBondContact N-O 2.83Å; V433-L459 PolarHBondContact O-N 2.86Å; I435-L459 HydrophobicContact CD1-CB 3.86Å; I435-L459 HydrophobicContact CD1-CD2 4.35Å; I435-L459 HydrophobicContact CG1-CB 4Å; I435-L459 HydrophobicContact CG2-CB 4.13Å; L459-K463 HydrophobicContact CD1-CB 4.44Å; L459-K463 WeakPolarHBondContact CD1-O 3.38Å; L459-V465 HydrophobicContact CD1-CB 4.03Å; L459-V465 HydrophobicContact CD1-CG1 3.88Å; L459-V465 HydrophobicContact CD2-CG1 4.02Å
460	K	93	Very high	93.5	Very high	127 Å²	127	61.8 Å²	61.8	55%	0.552	32%	0.321	S	S	*	.			trans	-64.6	159.9	-175.8	-62.2	-156.5	168.8	-165.2	0	113.1	N427 D432 D462 K463	N427-K460 PolarHBondContact ND2-O 3Å; D432-K460 WeakPolarHBondContact OD1-CA 3.24Å; D432-K460 WeakPolarHBondContact OD1-CB 3.35Å; D432-K460 WeakPolarHBondContact OD2-CG 3.5Å; K460-D462 PolarHBondContact O-N 2.79Å; K460-K463 HydrophobicContact CB-CB 4.31Å; K460-K463 HydrophobicContact CB-CG 3.94Å; K460-K463 PolarHBondContact O-N 3.41Å
461	S	92.1	Very high	93.3	Very high	39 Å²	39	62.3 Å²	62.3	27%	0.273	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	134.9	171.9	58.1	0	0	0	0	112.1	G430 D432 K463	G430-S461 WeakPolarHBondContact O-CB 3.31Å; D432-S461 PolarHBondContact OD1-N 2.89Å; S461-K463 PolarHBondContact O-N 2.88Å
462	D	89.6	Confident	92.9	Very high	100 Å²	100	61.1 Å²	61.1	54%	0.535	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	39.8	179.8	-49.6	-39.6	0	0	0	113.1	N427 K460	N427-D462 VanDerWaalsContact O-CA 3.28Å; N427-D462 WeakPolarHBondContact O-CA 3.32Å; N427-D462 PolarHBondContact O-N 3.11Å; K460-D462 PolarHBondContact O-N 2.79Å
463	K	92.7	Very high	92.6	Very high	118 Å²	118	58.7 Å²	58.7	51%	0.513	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.3	174	-62.9	-66.6	158.5	-83.4	0	111.7	V426 N427 L459 K460 S461	V426-K463 WeakPolarHBondContact CG2-O 3.39Å; N427-K463 PolarHBondContact N-O 2.68Å; L459-K463 HydrophobicContact CD1-CB 4.44Å; L459-K463 WeakPolarHBondContact CD1-O 3.38Å; K460-K463 HydrophobicContact CB-CB 4.31Å; K460-K463 HydrophobicContact CB-CG 3.94Å; K460-K463 PolarHBondContact O-N 3.41Å; S461-K463 PolarHBondContact O-N 2.88Å
464	T	93.1	Very high	92.3	Very high	66 Å²	66	60.9 Å²	60.9	41%	0.405	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	157.4	176.3	46.7	0	0	0	0	111.5	L414 K424 L425 V426	L414-T464 HydrophobicContact CD2-CG2 3.97Å; K424-T464 HydrophobicContact CD-CG2 4.45Å; K424-T464 HydrophobicContact CG-CG2 4.38Å; L425-T464 CarbonylContact O-C 3.57Å; L425-T464 WeakPolarHBondContact O-CA 3.26Å; L425-T464 WeakPolarHBondContact O-CB 3.48Å; V426-T464 HydrophobicContact CB-CG2 3.95Å; V426-T464 HydrophobicContact CG2-CG2 3.68Å
465	V	95.3	Very high	92.3	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.012	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.1	161.5	56	0	0	0	0	109	L425 I435 L459 P479 G480 L482	L425-V465 HydrophobicContact CB-CG1 3.86Å; L425-V465 HydrophobicContact CD1-CG1 4.29Å; L425-V465 HydrophobicContact CG-CG1 4.37Å; L425-V465 PolarHBondContact N-O 2.84Å; L425-V465 PolarHBondContact O-N 3.44Å; I435-V465 HydrophobicContact CD1-CG1 4.03Å; L459-V465 HydrophobicContact CD1-CB 4.03Å; L459-V465 HydrophobicContact CD1-CG1 3.88Å; L459-V465 HydrophobicContact CD2-CG1 4.02Å; V465-P479 WeakPolarHBondContact CG2-O 3.05Å; V465-G480 CarbonylContact C-O 3.56Å; V465-G480 WeakPolarHBondContact CA-O 3.18Å; V465-L482 HydrophobicContact CG2-CD1 3.72Å; V465-L482 HydrophobicContact CG2-CG 3.98Å
466	T	96.7	Very high	92.4	Very high	8 Å²	8	60.5 Å²	60.5	5%	0.049	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.5	-178.8	-43.1	0	0	0	0	109.6	F422 V423 K424 W468 G480 L482	F422-T466 HydrophobicContact CB-CG2 3.68Å; F422-T466 HydrophobicContact CD2-CG2 3.93Å; F422-T466 HydrophobicContact CG-CG2 4Å; V423-T466 CarbonylContact O-C 3.58Å; V423-T466 WeakPolarHBondContact O-CA 3.36Å; K424-T466 WeakPolarHBondContact CE-OG1 3.28Å; T466-W468 HydrophobicContact CG2-CD2 4.01Å; T466-W468 VanDerWaalsContact CG2-CE2 3.47Å; T466-W468 HydrophobicContact CG2-CG 4.25Å; T466-W468 HydrophobicContact CG2-CZ2 3.84Å; T466-G480 PolarHBondContact N-O 2.9Å; T466-L482 PolarHBondContact O-N 3.09Å
467	V	96.9	Very high	92.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	103	173	-172.8	0	0	0	0	108.8	F422 V423 L440 Y451 F453 L482 M484 W489	F422-V467 CarbonylContact C-O 3.54Å; F422-V467 WeakPolarHBondContact CA-O 3.25Å; V423-V467 PolarHBondContact N-O 3.4Å; V423-V467 PolarHBondContact O-N 3.43Å; L440-V467 HydrophobicContact CD2-CB 4.27Å; L440-V467 HydrophobicContact CD2-CG2 4.11Å; Y451-V467 HydrophobicContact CD1-CG1 3.82Å; Y451-V467 HydrophobicContact CD1-CG2 4.13Å; Y451-V467 HydrophobicContact CD2-CG1 4.19Å; Y451-V467 HydrophobicContact CE1-CG1 3.98Å; Y451-V467 HydrophobicContact CE1-CG2 4.03Å; Y451-V467 HydrophobicContact CE2-CG1 4.33Å; Y451-V467 HydrophobicContact CG-CG1 3.93Å; F453-V467 HydrophobicContact CE1-CG2 3.6Å; F453-V467 HydrophobicContact CZ-CG2 3.77Å; V467-L482 CarbonylContact C-O 3.59Å; V467-L482 WeakPolarHBondContact CA-O 3.21Å; V467-M484 HydrophobicContact CG1-CG 3.8Å; V467-M484 HydrophobicContact CG1-SD 4.34Å; V467-W489 HydrophobicContact CB-CZ2 4.03Å; V467-W489 HydrophobicContact CG1-CZ2 3.64Å; V467-W489 PolarHBondContact O-NE1 3.37Å
468	W	97.4	Very high	92.3	Very high	47 Å²	47	60 Å²	60	18%	0.178	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	146.3	-177.3	-62.1	93.2	0	0	0	112.4	M421 F422 T466 V474 D481 L482 V483 M484	M421-W468 WeakPolarHBondContact O-CA 3.27Å; F422-W468 HydrophobicContact CB-CD2 3.94Å; F422-W468 HydrophobicContact CB-CE3 3.65Å; F422-W468 HydrophobicContact CB-CG 4.48Å; F422-W468 HydrophobicContact CB-CZ3 4Å; F422-W468 HydrophobicContact CD1-CE3 4.2Å; F422-W468 HydrophobicContact CD1-CH2 4.09Å; F422-W468 AromaticContact CD1-CZ3 3.67Å; F422-W468 HydrophobicContact CD1-CZ3 3.67Å; F422-W468 HydrophobicContact CG-CE3 4.29Å; F422-W468 HydrophobicContact CG-CH2 4.46Å; F422-W468 HydrophobicContact CG-CZ3 4.13Å; T466-W468 HydrophobicContact CG2-CD2 4.01Å; T466-W468 VanDerWaalsContact CG2-CE2 3.47Å; T466-W468 HydrophobicContact CG2-CG 4.25Å; T466-W468 HydrophobicContact CG2-CZ2 3.84Å; W468-V474 HydrophobicContact CD2-CB 4.13Å; W468-V474 HydrophobicContact CD2-CG1 4.3Å; W468-V474 HydrophobicContact CD2-CG2 3.79Å; W468-V474 HydrophobicContact CE3-CB 4.46Å; W468-V474 HydrophobicContact CE3-CG2 3.71Å; W468-V474 HydrophobicContact CG-CB 4.28Å; W468-V474 HydrophobicContact CG-CG1 4.37Å; W468-V474 HydrophobicContact CG-CG2 4.45Å; W468-V474 HydrophobicContact CH2-CG2 4.09Å; W468-V474 HydrophobicContact CZ2-CG2 4.14Å; W468-V474 HydrophobicContact CZ3-CG2 3.87Å; W468-D481 PolarHBondContact NE1-OD1 3.14Å; W468-L482 PolarHBondContact N-O 3.15Å; W468-V483 HydrophobicContact CB-CG2 4.21Å; W468-M484 WeakPolarHBondContact O-CG 3.47Å; W468-M484 PolarHBondContact O-N 2.72Å
469	S	96.3	Very high	91.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	36%	0.359	C	S	.	.			trans	-72.4	153.9	170.9	-68.2	0	0	0	0	112.4	G420 M421 N471 S472 Q488 W489	G420-S469 WeakPolarHBondContact O-CB 3.33Å; G420-S469 PolarHBondContact O-OG 2.92Å; M421-S469 PolarHBondContact O-N 2.73Å; S469-N471 WeakPolarHBondContact CB-OD1 3.39Å; S469-N471 PolarHBondContact O-N 3.41Å; S469-N471 VanDerWaalsContact O-N 3.11Å; S469-S472 VanDerWaalsContact O-CB 3.26Å; S469-S472 WeakPolarHBondContact O-CB 3.44Å; S469-S472 PolarHBondContact O-N 2.84Å; S469-S472 PolarHBondContact O-OG 3.43Å; S469-Q488 WeakPolarHBondContact OG-CA 3.37Å; S469-W489 VanDerWaalsContact OG-CD1 3.23Å; S469-W489 PolarHBondContact OG-N 2.89Å
470	C	92.1	Very high	91.6	Very high	52 Å²	52	61.7 Å²	61.7	35%	0.351	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.3	-175.8	74	0	0	0	0	114.7	M484 Q487 Q488	C470-M484 VanDerWaalsContact CB-O 3.24Å; C470-M484 WeakPolarHBondContact CB-O 3.48Å; C470-Q487 WeakPolarHBondContact CB-O 3.19Å; C470-Q487 PolarHBondContact N-O 3.31Å; C470-Q487 PolarHBondContact SG-O 2.85Å; C470-Q487 VanDerWaalsContact SG-O 3.38Å; C470-Q488 VanDerWaalsContact SG-CG 3.53Å
471	N	91.1	Very high	91.6	Very high	78 Å²	78	57.9 Å²	57.9	42%	0.417	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.5	176.1	64.8	-41.2	0	0	0	113.9	S469 G473 Q488	S469-N471 WeakPolarHBondContact CB-OD1 3.39Å; S469-N471 PolarHBondContact O-N 3.41Å; S469-N471 VanDerWaalsContact O-N 3.11Å; N471-G473 PolarHBondContact O-N 2.78Å; N471-Q488 HydrophobicContact CB-CG 4.37Å; N471-Q488 PolarHBondContact ND2-OE1 3.41Å; N471-Q488 WeakPolarHBondContact OD1-CG 3.3Å
472	S	88.3	Confident	91.7	Very high	19 Å²	19	57 Å²	57	13%	0.133	35%	0.348	C	S	.	.	S	Bend	trans	-65.9	-17.6	-175.1	59.5	0	0	0	0	115.2	S469 V474	S469-S472 VanDerWaalsContact O-CB 3.26Å; S469-S472 WeakPolarHBondContact O-CB 3.44Å; S469-S472 PolarHBondContact O-N 2.84Å; S469-S472 PolarHBondContact O-OG 3.43Å; S472-V474 PolarHBondContact O-N 3.2Å; S472-V474 PolarHBondContact OG-N 3.31Å
473	G	87.7	Confident	91.9	Very high	76 Å²	76	53.7 Å²	53.7	78%	0.784	33%	0.331	S	S	*	.			trans	74	-5.9	-173.5	0	0	0	0	0	114.9	N471	N471-G473 PolarHBondContact O-N 2.78Å
474	V	90.4	Very high	92	Very high	49 Å²	49	48.2 Å²	48.2	30%	0.297	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-72.9	134.2	-179	179.1	0	0	0	0	110.8	W468 S472	W468-V474 HydrophobicContact CD2-CB 4.13Å; W468-V474 HydrophobicContact CD2-CG1 4.3Å; W468-V474 HydrophobicContact CD2-CG2 3.79Å; W468-V474 HydrophobicContact CE3-CB 4.46Å; W468-V474 HydrophobicContact CE3-CG2 3.71Å; W468-V474 HydrophobicContact CG-CB 4.28Å; W468-V474 HydrophobicContact CG-CG1 4.37Å; W468-V474 HydrophobicContact CG-CG2 4.45Å; W468-V474 HydrophobicContact CH2-CG2 4.09Å; W468-V474 HydrophobicContact CZ2-CG2 4.14Å; W468-V474 HydrophobicContact CZ3-CG2 3.87Å; S472-V474 PolarHBondContact O-N 3.2Å; S472-V474 PolarHBondContact OG-N 3.31Å
475	T	89.5	Confident	91.8	Very high	115 Å²	115	55.8 Å²	55.8	71%	0.706	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-76.2	132.2	173.8	41.9	0	0	0	0	110.7	N477	T475-N477 PolarHBondContact O-N 3.06Å
476	P	90.7	Very high	91.5	Very high	95 Å²	95	63.3 Å²	63.3	62%	0.617	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-65.3	126	-177.6	-15.5	26.3	0	0	0	112.2	V483	P476-V483 HydrophobicContact CB-CB 4.4Å; P476-V483 HydrophobicContact CB-CG2 3.96Å; P476-V483 HydrophobicContact CG-CB 4Å; P476-V483 HydrophobicContact CG-CG2 3.73Å
477	N	91.7	Very high	91.3	Very high	107 Å²	107	67 Å²	67	57%	0.572	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-133.8	70.4	-179.2	-171.4	27.9	0	0	0	111.2	T475 G480 D481	T475-N477 PolarHBondContact O-N 3.06Å; N477-G480 PolarHBondContact O-N 2.95Å; N477-D481 CarbonylContact C-O 3.53Å; N477-D481 VanDerWaalsContact C-O 3.3Å; N477-D481 HydrophobicContact CB-CB 4.24Å; N477-D481 PolarHBondContact N-O 2.98Å; N477-D481 PolarHBondContact O-N 3.37Å
478	P	86.9	Confident	91.1	Very high	88 Å²	88	71.8 Å²	71.8	57%	0.571	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	145	-179.7	28.2	-35.3	0	0	0	111.7	L482	P478-L482 HydrophobicContact CB-CD2 3.75Å
479	P	84.8	Confident	91	Very high	83 Å²	83	69.8 Å²	69.8	54%	0.539	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.1	-8.4	9	34.2	-36.8	0	0	0	115.2	L457 V465	L457-P479 HydrophobicContact CD1-CB 3.55Å; V465-P479 WeakPolarHBondContact CG2-O 3.05Å
480	G	86.9	Confident	90.9	Very high	27 Å²	27	70.6 Å²	70.6	28%	0.278	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-49.4	-171.1	0	0	0	0	0	114	V465 T466 N477	V465-G480 CarbonylContact C-O 3.56Å; V465-G480 WeakPolarHBondContact CA-O 3.18Å; T466-G480 PolarHBondContact N-O 2.9Å; N477-G480 PolarHBondContact O-N 2.95Å
481	D	93.2	Very high	90.8	Very high	47 Å²	47	71.8 Å²	71.8	25%	0.251	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	109.8	-177.4	-65.1	-67.7	0	0	0	110.8	W468 N477	W468-D481 PolarHBondContact NE1-OD1 3.14Å; N477-D481 CarbonylContact C-O 3.53Å; N477-D481 VanDerWaalsContact C-O 3.3Å; N477-D481 HydrophobicContact CB-CB 4.24Å; N477-D481 PolarHBondContact N-O 2.98Å; N477-D481 PolarHBondContact O-N 3.37Å
482	L	94.8	Very high	90.6	Very high	19 Å²	19	68.8 Å²	68.8	10%	0.099	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.1	-178.9	-54.3	-179.2	0	0	0	108.7	Y451 F453 L457 V465 T466 V467 W468 P478	Y451-L482 HydrophobicContact CE1-CD1 4.34Å; F453-L482 HydrophobicContact CD1-CD1 3.83Å; F453-L482 HydrophobicContact CE1-CD1 3.89Å; L457-L482 HydrophobicContact CD2-CD1 3.89Å; V465-L482 HydrophobicContact CG2-CD1 3.72Å; V465-L482 HydrophobicContact CG2-CG 3.98Å; T466-L482 PolarHBondContact O-N 3.09Å; V467-L482 CarbonylContact C-O 3.59Å; V467-L482 WeakPolarHBondContact CA-O 3.21Å; W468-L482 PolarHBondContact N-O 3.15Å; P478-L482 HydrophobicContact CB-CD2 3.75Å
483	V	94.4	Very high	90.5	Very high	31 Å²	31	72.1 Å²	72.1	19%	0.188	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131	178.8	-171.9	0	0	0	0	109.5	W468 P476	W468-V483 HydrophobicContact CB-CG2 4.21Å; P476-V483 HydrophobicContact CB-CB 4.4Å; P476-V483 HydrophobicContact CB-CG2 3.96Å; P476-V483 HydrophobicContact CG-CB 4Å; P476-V483 HydrophobicContact CG-CG2 3.73Å
484	M	93.8	Very high	90.6	Very high	4 Å²	4	73.9 Å²	73.9	2%	0.02	40%	0.403	C	S	.	.			trans	-67.1	141.1	175.1	-63.5	-164.6	-70.1	0	0	111	V449 Y451 V467 W468 C470 Q487 W489	V449-M484 HydrophobicContact CG1-SD 4.26Å; Y451-M484 HydrophobicContact CD2-CG 3.75Å; Y451-M484 HydrophobicContact CD2-SD 4.27Å; Y451-M484 HydrophobicContact CE2-CG 4.19Å; Y451-M484 HydrophobicContact CG-CG 4.45Å; V467-M484 HydrophobicContact CG1-CG 3.8Å; V467-M484 HydrophobicContact CG1-SD 4.34Å; W468-M484 WeakPolarHBondContact O-CG 3.47Å; W468-M484 PolarHBondContact O-N 2.72Å; C470-M484 VanDerWaalsContact CB-O 3.24Å; C470-M484 WeakPolarHBondContact CB-O 3.48Å; M484-Q487 HydrophobicContact CB-CB 4.15Å; M484-Q487 HydrophobicContact SD-CB 4.4Å; M484-W489 HydrophobicContact CE-CD2 3.48Å; M484-W489 VanDerWaalsContact CE-CD2 3.48Å; M484-W489 VanDerWaalsContact CE-CE2 3.49Å; M484-W489 HydrophobicContact CE-CE3 4.03Å; M484-W489 HydrophobicContact CE-CG 3.68Å; M484-W489 HydrophobicContact CE-CZ2 4.08Å; M484-W489 HydrophobicContact SD-CD2 4.12Å; M484-W489 HydrophobicContact SD-CE3 4.27Å; M484-W489 HydrophobicContact SD-CH2 3.94Å; M484-W489 HydrophobicContact SD-CZ2 3.74Å; M484-W489 HydrophobicContact SD-CZ3 4.19Å
485	R	88.6	Confident	90.8	Very high	225 Å²	225	71.6 Å²	71.6	85%	0.849	39%	0.389	S	S	*	.	S	Bend	trans	-90.2	118.1	177.5	-61.8	-175.1	-173.5	-135.4	1.3	109.5	Q487	R485-Q487 PolarHBondContact O-N 2.72Å; R485-Q487 VanDerWaalsContact O-N 3.1Å
486	N	90.1	Very high	91	Very high	159 Å²	159	69.9 Å²	69.9	85%	0.85	37%	0.37	S	S	*	.	S	Bend	trans	54.2	27.3	176.7	-53.7	-4.7	0	0	0	114.3
487	Q	92.2	Very high	91.3	Very high	86 Å²	86	65.3 Å²	65.3	40%	0.402	34%	0.34	S	S	.	.			trans	-137.6	148.6	-179.1	-70.8	178.9	-7.1	0	0	110.1	V449 C470 M484 R485	V449-Q487 HydrophobicContact CG1-CB 4.38Å; C470-Q487 WeakPolarHBondContact CB-O 3.19Å; C470-Q487 PolarHBondContact N-O 3.31Å; C470-Q487 PolarHBondContact SG-O 2.85Å; C470-Q487 VanDerWaalsContact SG-O 3.38Å; M484-Q487 HydrophobicContact CB-CB 4.15Å; M484-Q487 HydrophobicContact SD-CB 4.4Å; R485-Q487 PolarHBondContact O-N 2.72Å; R485-Q487 VanDerWaalsContact O-N 3.1Å
488	Q	92.4	Very high	91.5	Very high	100 Å²	100	60.9 Å²	60.9	47%	0.467	32%	0.317	S	S	.	.			trans	-134.2	146.2	-179.6	-54.9	176	21.5	0	0	108.4	V449 S469 C470 N471	V449-Q488 WeakPolarHBondContact CG2-O 3.33Å; S469-Q488 WeakPolarHBondContact OG-CA 3.37Å; C470-Q488 VanDerWaalsContact SG-CG 3.53Å; N471-Q488 HydrophobicContact CB-CG 4.37Å; N471-Q488 PolarHBondContact ND2-OE1 3.41Å; N471-Q488 WeakPolarHBondContact OD1-CG 3.3Å
489	W	96	Very high	92	Very high	6 Å²	6	56.7 Å²	56.7	2%	0.023	29%	0.29	C	S	.	.			trans	-68.7	132.7	177.6	-68.3	124.4	0	0	0	111	G420 V423 L440 R442 V449 V467 S469 M484	G420-W489 WeakPolarHBondContact O-CB 3.44Å; V423-W489 HydrophobicContact CB-CZ2 4.38Å; V423-W489 HydrophobicContact CG2-CD2 4.07Å; V423-W489 HydrophobicContact CG2-CG 4.28Å; V423-W489 HydrophobicContact CG2-CZ2 4.04Å; L440-W489 HydrophobicContact CB-CH2 4.35Å; L440-W489 HydrophobicContact CD2-CH2 3.78Å; L440-W489 HydrophobicContact CD2-CZ2 3.68Å; L440-W489 HydrophobicContact CG-CH2 3.82Å; L440-W489 HydrophobicContact CG-CZ2 4.24Å; R442-W489 HydrophobicContact CB-CD2 4.49Å; R442-W489 HydrophobicContact CB-CE3 3.62Å; R442-W489 HydrophobicContact CB-CZ3 3.89Å; R442-W489 HydrophobicContact CG-CE3 4.44Å; V449-W489 HydrophobicContact CB-CE3 4.25Å; V449-W489 HydrophobicContact CB-CZ3 4.39Å; V449-W489 HydrophobicContact CG1-CE3 4.12Å; V449-W489 HydrophobicContact CG1-CZ3 4.08Å; V467-W489 HydrophobicContact CB-CZ2 4.03Å; V467-W489 HydrophobicContact CG1-CZ2 3.64Å; V467-W489 PolarHBondContact O-NE1 3.37Å; S469-W489 VanDerWaalsContact OG-CD1 3.23Å; S469-W489 PolarHBondContact OG-N 2.89Å; M484-W489 HydrophobicContact CE-CD2 3.48Å; M484-W489 VanDerWaalsContact CE-CD2 3.48Å; M484-W489 VanDerWaalsContact CE-CE2 3.49Å; M484-W489 HydrophobicContact CE-CE3 4.03Å; M484-W489 HydrophobicContact CE-CG 3.68Å; M484-W489 HydrophobicContact CE-CZ2 4.08Å; M484-W489 HydrophobicContact SD-CD2 4.12Å; M484-W489 HydrophobicContact SD-CE3 4.27Å; M484-W489 HydrophobicContact SD-CH2 3.94Å; M484-W489 HydrophobicContact SD-CZ2 3.74Å; M484-W489 HydrophobicContact SD-CZ3 4.19Å
490	P	94	Very high	92.6	Very high	16 Å²	16	54.4 Å²	54.4	10%	0.104	27%	0.271	C	S	.	.			trans	-70.7	142.4	-177.3	28.4	-33.6	0	0	0	111.1	R442 A444 A447 V449	R442-P490 HydrophobicContact CB-CG 4.46Å; R442-P490 HydrophobicContact CG-CG 4.12Å; R442-P490 VanDerWaalsContact CZ-O 3.32Å; R442-P490 PolarHBondContact NE-O 2.91Å; R442-P490 PolarHBondContact NH2-O 2.9Å; R442-P490 WeakPolarHBondContact O-CG 3.24Å; A444-P490 HydrophobicContact CB-CB 4.11Å; A444-P490 HydrophobicContact CB-CG 4.35Å; A444-P490 WeakPolarHBondContact CB-O 3.49Å; A447-P490 HydrophobicContact CB-CB 3.86Å; V449-P490 HydrophobicContact CG2-CG 4.46Å
491	V	88.9	Confident	92.8	Very high	77 Å²	77	54.4 Å²	54.4	47%	0.467	27%	0.265	S	S	.	.			trans	-111.8	149.3	-179.4	178.2	0	0	0	0	109.1	L418 D419	L418-V491 WeakPolarHBondContact O-CG1 3.11Å; D419-V491 VanDerWaalsContact O-CG2 3.3Å; D419-V491 WeakPolarHBondContact O-CG2 3.31Å
492	G	88.3	Confident	92.6	Very high	16 Å²	16	55.4 Å²	55.4	17%	0.165	28%	0.28	C	S	.	.			trans	-179.7	177.8	178	0	0	0	0	0	112.8	R494	G492-R494 PolarHBondContact O-N 2.86Å
493	P	85.8	Confident	92.4	Very high	88 Å²	88	58.8 Å²	58.8	57%	0.571	31%	0.305	S	S	*	.	S	Bend	trans	-67.9	-22.5	177.8	29.2	-35.6	0	0	0	112.7	E513 K514	P493-E513 CarbonylContact O-C 3.55Å; P493-E513 WeakPolarHBondContact O-CA 3.42Å; P493-K514 WeakPolarHBondContact O-CB 3.34Å; P493-K514 PolarHBondContact O-N 2.81Å
494	R	89.7	Confident	92.1	Very high	114 Å²	114	63.4 Å²	63.4	43%	0.43	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.7	172.6	-171.4	-171.1	-176.2	109.3	3	108.4	A444 G492 E511 S512 E513	A444-R494 WeakPolarHBondContact CA-O 3.17Å; A444-R494 WeakPolarHBondContact CB-O 3.02Å; G492-R494 PolarHBondContact O-N 2.86Å; R494-E511 IonicContact CZ-OE1 2.65Å; R494-E511 IonicContact NE-OE1 3.75Å; R494-E511 PolarHBondContact NE-OE1 2.87Å; R494-E511 VanDerWaalsContact NH2-CD 3.33Å; R494-E511 IonicContact NH2-OE1 3.89Å; R494-E511 PolarHBondContact NH2-OE1 3.32Å; R494-E511 IonicContact NH2-OE2 3.16Å; R494-S512 WeakPolarHBondContact CA-O 3.4Å; R494-E513 HydrophobicContact CB-CG 4.24Å; R494-E513 WeakPolarHBondContact CD-OE1 3.47Å; R494-E513 HydrophobicContact CG-CB 4.32Å; R494-E513 HydrophobicContact CG-CG 4.16Å; R494-E513 WeakPolarHBondContact CG-OE1 3.41Å; R494-E513 IonicContact CZ-OE1 3.52Å; R494-E513 IonicContact CZ-OE2 2.59Å; R494-E513 IonicContact NE-OE1 2.84Å; R494-E513 IonicContact NH1-OE1 2.65Å; R494-E513 PolarHBondContact NH1-OE1 2.91Å; R494-E513 IonicContact NH1-OE2 3.76Å; R494-E513 PolarHBondContact NH1-OE2 3.48Å
495	I	93.1	Very high	92	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.5	-175.9	-58.3	163.4	0	0	0	107.6	F401 H416 L418 R442 K443 A444 E511 S512	F401-I495 HydrophobicContact CE1-CD1 4.48Å; H416-I495 WeakPolarHBondContact NE2-CG2 3.14Å; L418-I495 HydrophobicContact CD2-CD1 4.13Å; R442-I495 HydrophobicContact CG-CG2 4.06Å; K443-I495 WeakPolarHBondContact O-CA 3.29Å; A444-I495 HydrophobicContact CB-CB 4.33Å; A444-I495 HydrophobicContact CB-CG1 3.87Å; A444-I495 HydrophobicContact CB-CG2 4.46Å; I495-E511 CarbonylContact O-C 3.6Å; I495-E511 VanDerWaalsContact O-CA 3.29Å; I495-E511 WeakPolarHBondContact O-CA 3.26Å; I495-S512 PolarHBondContact N-O 3.22Å; I495-S512 PolarHBondContact O-N 3.45Å
496	R	94.7	Very high	92.2	Very high	79 Å²	79	61.4 Å²	61.4	30%	0.298	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.7	169.2	-173.9	176.5	170.8	140.4	-9.4	110.1	R442 K443 T498 E506 E511	R442-R496 CarbonylContact C-O 3.56Å; R442-R496 WeakPolarHBondContact CA-O 3.49Å; K443-R496 PolarHBondContact N-O 3.14Å; K443-R496 PolarHBondContact O-N 2.82Å; R496-T498 HydrophobicContact CG-CG2 3.92Å; R496-E506 IonicContact CZ-OE1 3.7Å; R496-E506 IonicContact NE-OE1 3.84Å; R496-E506 IonicContact NH2-OE1 2.8Å; R496-E506 PolarHBondContact NH2-OE1 3.19Å; R496-E506 IonicContact NH2-OE2 2.67Å; R496-E511 HydrophobicContact CB-CB 4.33Å; R496-E511 HydrophobicContact CB-CG 3.93Å; R496-E511 HydrophobicContact CG-CB 4.18Å; R496-E511 HydrophobicContact CG-CG 4.21Å; R496-E511 IonicContact NH1-OE2 2.7Å; R496-E511 PolarHBondContact NH1-OE2 2.74Å
497	T	96.8	Very high	92.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129	174.7	-52.3	0	0	0	0	108.8	I413 H416 V423 L440 K441 R442 W509 R510	I413-T497 HydrophobicContact CD1-CG2 4Å; I413-T497 WeakPolarHBondContact CD1-O 3.44Å; H416-T497 PolarHBondContact ND1-OG1 2.95Å; V423-T497 HydrophobicContact CG1-CG2 3.98Å; V423-T497 HydrophobicContact CG2-CG2 4.05Å; L440-T497 HydrophobicContact CD1-CG2 3.74Å; L440-T497 HydrophobicContact CG-CG2 4.44Å; K441-T497 CarbonylContact O-C 3.57Å; K441-T497 WeakPolarHBondContact O-CA 3.16Å; R442-T497 HydrophobicContact CB-CG2 4.28Å; R442-T497 WeakPolarHBondContact CD-OG1 3.32Å; R442-T497 WeakPolarHBondContact CG-OG1 3.29Å; T497-W509 CarbonylContact O-C 3.52Å; T497-W509 VanDerWaalsContact O-CA 3.29Å; T497-W509 WeakPolarHBondContact O-CA 3.5Å; T497-R510 PolarHBondContact N-O 2.94Å; T497-R510 PolarHBondContact O-N 2.85Å
498	T	96.6	Very high	92.4	Very high	13 Å²	13	50.7 Å²	50.7	8%	0.08	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.5	-177.6	65.8	0	0	0	0	110.7	K441 R496 F500 E506 A508 W509	K441-T498 PolarHBondContact N-O 3.41Å; K441-T498 PolarHBondContact O-N 2.84Å; R496-T498 HydrophobicContact CG-CG2 3.92Å; T498-F500 WeakPolarHBondContact OG1-CE2 3.28Å; T498-F500 VanDerWaalsContact OG1-CZ 3.28Å; T498-F500 WeakPolarHBondContact OG1-CZ 3.28Å; T498-E506 WeakPolarHBondContact CG2-OE1 3.46Å; T498-A508 CarbonylContact C-O 3.3Å; T498-A508 WeakPolarHBondContact CA-O 3.36Å; T498-W509 HydrophobicContact CG2-CB 3.89Å
499	L	97.5	Very high	92.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.4	176.8	-178.1	65.6	0	0	0	108.7	V411 L425 W438 L440 F453 V507 A508	V411-L499 HydrophobicContact CB-CD2 4.47Å; V411-L499 HydrophobicContact CG1-CD2 3.91Å; L425-L499 HydrophobicContact CD1-CD1 3.87Å; L425-L499 HydrophobicContact CD1-CD2 3.96Å; L425-L499 HydrophobicContact CD2-CD2 4.25Å; W438-L499 HydrophobicContact CE3-CD1 4.2Å; W438-L499 HydrophobicContact CE3-CD2 4.04Å; W438-L499 HydrophobicContact CE3-CG 4.05Å; W438-L499 HydrophobicContact CZ3-CD2 3.99Å; W438-L499 HydrophobicContact CZ3-CG 4.4Å; L440-L499 HydrophobicContact CB-CD1 4.32Å; L440-L499 HydrophobicContact CD1-CB 4.33Å; L440-L499 HydrophobicContact CD1-CD1 4.22Å; F453-L499 HydrophobicContact CE2-CD1 3.99Å; L499-V507 HydrophobicContact CB-CG2 4.27Å; L499-V507 HydrophobicContact CD2-CG2 4.1Å; L499-V507 HydrophobicContact CG-CG2 3.87Å; L499-V507 WeakPolarHBondContact O-CG2 3.29Å; L499-V507 PolarHBondContact O-N 3.18Å; L499-A508 HydrophobicContact CB-CB 4.18Å; L499-A508 HydrophobicContact CD2-CB 4.43Å; L499-A508 PolarHBondContact N-O 3.36Å; L499-A508 PolarHBondContact O-N 2.96Å
500	F	96.1	Very high	92.3	Very high	35 Å²	35	50.8 Å²	50.8	15%	0.154	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.4	177.3	-56.1	-89.7	0	0	0	110.7	W438 T439 K441 T498 E504 E505 E506	W438-F500 WeakPolarHBondContact CA-O 3.41Å; W438-F500 VanDerWaalsContact CB-O 3.27Å; W438-F500 WeakPolarHBondContact CB-O 3.41Å; T439-F500 PolarHBondContact N-O 3.21Å; T439-F500 PolarHBondContact O-N 2.83Å; K441-F500 HydrophobicContact CB-CE2 4.06Å; K441-F500 HydrophobicContact CD-CD2 4.02Å; K441-F500 HydrophobicContact CD-CE2 3.54Å; K441-F500 HydrophobicContact CD-CZ 4.41Å; K441-F500 HydrophobicContact CG-CD2 3.96Å; K441-F500 HydrophobicContact CG-CE2 3.67Å; T498-F500 WeakPolarHBondContact OG1-CE2 3.28Å; T498-F500 VanDerWaalsContact OG1-CZ 3.28Å; T498-F500 WeakPolarHBondContact OG1-CZ 3.28Å; F500-E504 WeakPolarHBondContact CD1-O 3.23Å; F500-E505 WeakPolarHBondContact CA-O 3.38Å; F500-E506 HydrophobicContact CD1-CB 4.13Å; F500-E506 HydrophobicContact CE1-CB 3.95Å; F500-E506 HydrophobicContact CE1-CG 4.44Å
501	N	92.3	Very high	92.2	Very high	27 Å²	27	51.4 Å²	51.4	14%	0.144	27%	0.269	C	S	.	.			trans	-71.8	-175.9	174.7	71.1	10.4	0	0	0	112.1	W438 S503 E504 E505 V507	W438-N501 HydrophobicContact CD2-CB 4.27Å; W438-N501 HydrophobicContact CZ2-CB 4.31Å; N501-S503 PolarHBondContact O-N 2.79Å; N501-S503 VanDerWaalsContact OD1-CA 3.32Å; N501-S503 WeakPolarHBondContact OD1-CA 3.48Å; N501-S503 VanDerWaalsContact OD1-CB 3.31Å; N501-S503 WeakPolarHBondContact OD1-CB 3.2Å; N501-S503 PolarHBondContact OD1-N 2.81Å; N501-E504 PolarHBondContact O-N 3.38Å; N501-E504 VanDerWaalsContact O-N 3.15Å; N501-E504 PolarHBondContact OD1-N 3.21Å; N501-E505 PolarHBondContact N-O 3.1Å; N501-E505 PolarHBondContact ND2-OE2 3.07Å; N501-E505 PolarHBondContact OD1-N 3.45Å; N501-V507 HydrophobicContact CB-CG1 3.9Å
502	A	88.9	Confident	92.3	Very high	69 Å²	69	47.8 Å²	47.8	57%	0.57	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.4	177.7	0	0	0	0	0	114.4
503	S	89.6	Confident	92.1	Very high	90 Å²	90	51 Å²	51	63%	0.629	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	4.5	175.4	-49.1	0	0	0	0	113.3	N501 E505	N501-S503 PolarHBondContact O-N 2.79Å; N501-S503 VanDerWaalsContact OD1-CA 3.32Å; N501-S503 WeakPolarHBondContact OD1-CA 3.48Å; N501-S503 VanDerWaalsContact OD1-CB 3.31Å; N501-S503 WeakPolarHBondContact OD1-CB 3.2Å; N501-S503 PolarHBondContact OD1-N 2.81Å; S503-E505 VanDerWaalsContact C-N 3.31Å; S503-E505 PolarHBondContact O-N 3.14Å
504	E	88.8	Confident	91.9	Very high	127 Å²	127	52.8 Å²	52.8	59%	0.593	26%	0.257	S	S	*	.	S	Bend	trans	65.4	20.4	-173.8	-49.2	-154.4	148.2	0	0	115.9	F500 N501	F500-E504 WeakPolarHBondContact CD1-O 3.23Å; N501-E504 PolarHBondContact O-N 3.38Å; N501-E504 VanDerWaalsContact O-N 3.15Å; N501-E504 PolarHBondContact OD1-N 3.21Å
505	E	91.7	Very high	90.8	Very high	117 Å²	117	49.8 Å²	49.8	55%	0.547	26%	0.256	S	S	.	.			trans	-85	138.6	175.2	-56.1	169.2	121.7	0	0	111.6	F500 N501 S503 V507	F500-E505 WeakPolarHBondContact CA-O 3.38Å; N501-E505 PolarHBondContact N-O 3.1Å; N501-E505 PolarHBondContact ND2-OE2 3.07Å; N501-E505 PolarHBondContact OD1-N 3.45Å; S503-E505 VanDerWaalsContact C-N 3.31Å; S503-E505 PolarHBondContact O-N 3.14Å; E505-V507 PolarHBondContact O-N 2.79Å
506	E	92.4	Very high	89.1	Confident	71 Å²	71	55.9 Å²	55.9	33%	0.332	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	104.7	-179.9	-173.1	174.9	-151	0	0	111.1	R496 T498 F500	R496-E506 IonicContact CZ-OE1 3.7Å; R496-E506 IonicContact NE-OE1 3.84Å; R496-E506 IonicContact NH2-OE1 2.8Å; R496-E506 PolarHBondContact NH2-OE1 3.19Å; R496-E506 IonicContact NH2-OE2 2.67Å; T498-E506 WeakPolarHBondContact CG2-OE1 3.46Å; F500-E506 HydrophobicContact CD1-CB 4.13Å; F500-E506 HydrophobicContact CE1-CB 3.95Å; F500-E506 HydrophobicContact CE1-CG 4.44Å
507	V	92.5	Very high	86.9	Confident	18 Å²	18	62.4 Å²	62.4	11%	0.109	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-21.3	-177.2	-69.8	0	0	0	0	113.9	F407 K408 W438 L499 N501 E505	F407-V507 CarbonylContact C-O 3.6Å; F407-V507 WeakPolarHBondContact CA-O 3.45Å; K408-V507 PolarHBondContact N-O 2.85Å; W438-V507 HydrophobicContact CE3-CG2 4.15Å; W438-V507 HydrophobicContact CH2-CG2 4.43Å; W438-V507 HydrophobicContact CZ3-CG2 3.73Å; L499-V507 HydrophobicContact CB-CG2 4.27Å; L499-V507 HydrophobicContact CD2-CG2 4.1Å; L499-V507 HydrophobicContact CG-CG2 3.87Å; L499-V507 WeakPolarHBondContact O-CG2 3.29Å; L499-V507 PolarHBondContact O-N 3.18Å; N501-V507 HydrophobicContact CB-CG1 3.9Å; E505-V507 PolarHBondContact O-N 2.79Å
508	A	93.6	Very high	84.3	Confident	2 Å²	2	67.1 Å²	67.1	2%	0.017	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	147.7	170.2	0	0	0	0	0	111.4	F407 I413 T498 L499	F407-A508 HydrophobicContact CB-CB 3.73Å; I413-A508 HydrophobicContact CG1-CB 4.28Å; T498-A508 CarbonylContact C-O 3.3Å; T498-A508 WeakPolarHBondContact CA-O 3.36Å; L499-A508 HydrophobicContact CB-CB 4.18Å; L499-A508 HydrophobicContact CD2-CB 4.43Å; L499-A508 PolarHBondContact N-O 3.36Å; L499-A508 PolarHBondContact O-N 2.96Å
509	W	94.4	Very high	81.8	Confident	62 Å²	62	74 Å²	74	24%	0.235	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.9	171	64.6	-88.8	0	0	0	112.2	H404 A405 D406 T497 T498 E511	H404-W509 HydrophobicContact CB-CH2 4.19Å; H404-W509 HydrophobicContact CB-CZ3 4.07Å; A405-W509 VanDerWaalsContact CA-O 3.31Å; A405-W509 WeakPolarHBondContact CA-O 3.45Å; D406-W509 HydrophobicContact CB-CZ2 3.76Å; D406-W509 PolarHBondContact N-O 3.45Å; D406-W509 VanDerWaalsContact N-O 3.08Å; D406-W509 PolarHBondContact O-N 3.43Å; T497-W509 CarbonylContact O-C 3.52Å; T497-W509 VanDerWaalsContact O-CA 3.29Å; T497-W509 WeakPolarHBondContact O-CA 3.5Å; T498-W509 HydrophobicContact CG2-CB 3.89Å; W509-E511 HydrophobicContact CE3-CB 3.98Å; W509-E511 HydrophobicContact CZ3-CB 3.81Å
510	R	93	Very high	78.8	Confident	45 Å²	45	84.2 Å²	84.2	17%	0.17	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	127.7	169.8	-172.5	-173.9	-148.6	109.4	-24.3	108.8	H404 A405 I413 L414 D415 H416 T497	H404-R510 CarbonylContact O-C 3.56Å; H404-R510 VanDerWaalsContact O-CA 3.29Å; H404-R510 WeakPolarHBondContact O-CA 3.21Å; H404-R510 WeakPolarHBondContact O-CG 3.15Å; A405-R510 HydrophobicContact CB-CB 4.24Å; A405-R510 HydrophobicContact CB-CG 4.09Å; I413-R510 HydrophobicContact CB-CB 4.29Å; I413-R510 HydrophobicContact CD1-CB 4.34Å; I413-R510 HydrophobicContact CG2-CB 4.04Å; I413-R510 PolarHBondContact O-NH1 3.28Å; L414-R510 VanDerWaalsContact C-NH1 3.28Å; L414-R510 PolarHBondContact O-NH1 3.25Å; L414-R510 PolarHBondContact O-NH2 2.81Å; D415-R510 IonicContact OD1-NH2 3.69Å; H416-R510 PolarHBondContact CE1-O 2.89Å; H416-R510 VanDerWaalsContact CE1-O 3.25Å; H416-R510 WeakPolarHBondContact ND1-CD 3.35Å; T497-R510 PolarHBondContact N-O 2.94Å; T497-R510 PolarHBondContact O-N 2.85Å
511	E	92.3	Very high	76	Confident	29 Å²	29	88 Å²	88	14%	0.136	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.1	179.9	-167.8	156.1	-161.7	0	0	110	T403 H404 R494 I495 R496 W509	T403-E511 CarbonylContact C-O 3.57Å; T403-E511 WeakPolarHBondContact CA-O 3.35Å; H404-E511 PolarHBondContact N-O 2.84Å; H404-E511 PolarHBondContact O-N 3.41Å; R494-E511 IonicContact CZ-OE1 2.65Å; R494-E511 IonicContact NE-OE1 3.75Å; R494-E511 PolarHBondContact NE-OE1 2.87Å; R494-E511 VanDerWaalsContact NH2-CD 3.33Å; R494-E511 IonicContact NH2-OE1 3.89Å; R494-E511 PolarHBondContact NH2-OE1 3.32Å; R494-E511 IonicContact NH2-OE2 3.16Å; I495-E511 CarbonylContact O-C 3.6Å; I495-E511 VanDerWaalsContact O-CA 3.29Å; I495-E511 WeakPolarHBondContact O-CA 3.26Å; R496-E511 HydrophobicContact CB-CB 4.33Å; R496-E511 HydrophobicContact CB-CG 3.93Å; R496-E511 HydrophobicContact CG-CB 4.18Å; R496-E511 HydrophobicContact CG-CG 4.21Å; R496-E511 IonicContact NH1-OE2 2.7Å; R496-E511 PolarHBondContact NH1-OE2 2.74Å; W509-E511 HydrophobicContact CE3-CB 3.98Å; W509-E511 HydrophobicContact CZ3-CB 3.81Å
512	S	90.2	Very high	73.3	Confident	1 Å²	1	91.2 Å²	91.2	1%	0.007	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.1	-175.6	-57.5	0	0	0	0	109.5	Q402 T403 H416 R494 I495	Q402-S512 WeakPolarHBondContact O-CA 3.23Å; T403-S512 WeakPolarHBondContact CG2-OG 3.22Å; H416-S512 PolarHBondContact CE1-OG 2.98Å; H416-S512 WeakPolarHBondContact NE2-CB 3.33Å; H416-S512 PolarHBondContact NE2-OG 3.23Å; R494-S512 WeakPolarHBondContact CA-O 3.4Å; I495-S512 PolarHBondContact N-O 3.22Å; I495-S512 PolarHBondContact O-N 3.45Å
513	E	84.8	Confident	71	Confident	84 Å²	84	98.6 Å²	98.6	39%	0.393	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.9	-174.6	-169.7	155.9	-131.9	0	0	111.1	F401 Q402 P493 R494 A515	F401-E513 WeakPolarHBondContact CA-O 3.14Å; Q402-E513 PolarHBondContact N-O 2.8Å; Q402-E513 PolarHBondContact O-N 2.84Å; P493-E513 CarbonylContact O-C 3.55Å; P493-E513 WeakPolarHBondContact O-CA 3.42Å; R494-E513 HydrophobicContact CB-CG 4.24Å; R494-E513 WeakPolarHBondContact CD-OE1 3.47Å; R494-E513 HydrophobicContact CG-CB 4.32Å; R494-E513 HydrophobicContact CG-CG 4.16Å; R494-E513 WeakPolarHBondContact CG-OE1 3.41Å; R494-E513 IonicContact CZ-OE1 3.52Å; R494-E513 IonicContact CZ-OE2 2.59Å; R494-E513 IonicContact NE-OE1 2.84Å; R494-E513 IonicContact NH1-OE1 2.65Å; R494-E513 PolarHBondContact NH1-OE1 2.91Å; R494-E513 IonicContact NH1-OE2 3.76Å; R494-E513 PolarHBondContact NH1-OE2 3.48Å; E513-A515 PolarHBondContact O-N 3.42Å
514	K	80.1	Confident	68.5	Low	126 Å²	126	105.2 Å²	105.2	55%	0.548	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	119.6	-178.2	-173.5	174	-179.9	174.3	0	109.4	F401 P493 S516	F401-K514 HydrophobicContact CD1-CB 4.02Å; F401-K514 HydrophobicContact CE1-CB 3.74Å; F401-K514 HydrophobicContact CE2-CB 4.33Å; F401-K514 HydrophobicContact CE2-CD 4.43Å; F401-K514 HydrophobicContact CE2-CG 4.32Å; F401-K514 HydrophobicContact CG-CB 4.44Å; F401-K514 HydrophobicContact CZ-CB 3.91Å; F401-K514 HydrophobicContact CZ-CD 4.33Å; F401-K514 HydrophobicContact CZ-CG 4.31Å; P493-K514 WeakPolarHBondContact O-CB 3.34Å; P493-K514 PolarHBondContact O-N 2.81Å; K514-S516 PolarHBondContact O-N 2.84Å
515	A	67.4	Low	66.3	Low	50 Å²	50	103.3 Å²	103.3	41%	0.413	50%	0.503	S	S	.	.			trans	-62.9	120.2	-177	0	0	0	0	0	111	N400 E513 R517	N400-A515 HydrophobicContact CB-CB 4.2Å; N400-A515 PolarHBondContact O-N 3.35Å; E513-A515 PolarHBondContact O-N 3.42Å; A515-R517 PolarHBondContact O-N 2.84Å
516	S	58.5	Low	64	Low	128 Å²	128	102.8 Å²	102.8	90%	0.895	51%	0.513	S	S	*	.			trans	-78.4	46.7	-178.3	54.6	0	0	0	0	113.2	K514 S518	K514-S516 PolarHBondContact O-N 2.84Å; S516-S518 PolarHBondContact O-N 3.22Å
517	R	47.8	Very low	61.7	Low	216 Å²	216	105.9 Å²	105.9	82%	0.815	53%	0.531	S	S	*	.			trans	-78.1	115.4	-179.9	-167.1	167.5	-175.9	154.6	0.7	110.7	A515 E519	A515-R517 PolarHBondContact O-N 2.84Å; R517-E519 PolarHBondContact O-N 2.83Å
518	S	42.9	Very low	59.3	Low	99 Å²	99	110.4 Å²	110.4	69%	0.692	56%	0.561	S	S	*	*			trans	-69.9	110.5	172.9	-179	0	0	0	0	110.3	S516 R520	S516-S518 PolarHBondContact O-N 3.22Å; S518-R520 VanDerWaalsContact C-N 3.29Å; S518-R520 PolarHBondContact O-N 2.9Å
519	E	43.4	Very low	56.9	Low	157 Å²	157	118.2 Å²	118.2	73%	0.734	60%	0.602	S	S	*	*			trans	-77.6	77.7	173.6	-70.4	-176.6	177.6	0	0	110.7	R517 T521	R517-E519 PolarHBondContact O-N 2.83Å; E519-T521 PolarHBondContact O-N 3.44Å
520	R	34.7	Very low	54.6	Low	216 Å²	216	123 Å²	123	82%	0.815	63%	0.632	S	S	*	*			trans	-77.8	75.6	166.9	-171.2	180	-66.9	-115.6	-0.5	109.5	S518 S522	S518-R520 VanDerWaalsContact C-N 3.29Å; S518-R520 PolarHBondContact O-N 2.9Å; R520-S522 VanDerWaalsContact C-N 3.26Å; R520-S522 PolarHBondContact O-N 3.48Å
521	T	37.8	Very low	52.4	Low	115 Å²	115	130.8 Å²	130.8	71%	0.706	66%	0.663	S	S	*	*			trans	-69.9	78.1	174.3	41.1	0	0	0	0	111.1	E519 Y523	E519-T521 PolarHBondContact O-N 3.44Å; T521-Y523 VanDerWaalsContact C-N 3.33Å; T521-Y523 PolarHBondContact O-N 3.47Å
522	S	35.3	Very low	49.9	Very low	94 Å²	94	132.9 Å²	132.9	66%	0.657	69%	0.692	S	S	*	*			trans	-72.6	86.7	174.2	61.2	0	0	0	0	110.9	R520 R524	R520-S522 VanDerWaalsContact C-N 3.26Å; R520-S522 PolarHBondContact O-N 3.48Å; S522-R524 PolarHBondContact O-N 3.07Å
523	Y	38.9	Very low	48	Very low	224 Å²	224	138.2 Å²	138.2	88%	0.878	72%	0.724	S	S	*	*			trans	-57.3	105.4	160.1	-103.5	-98.1	0	0	0	108.5	T521	T521-Y523 VanDerWaalsContact C-N 3.33Å; T521-Y523 PolarHBondContact O-N 3.47Å
524	R	38.7	Very low	46.1	Very low	229 Å²	229	143.8 Å²	143.8	86%	0.864	75%	0.75	S	S	*	*			trans	-100.1	94.1	159.7	-78.1	-170.9	169.3	-165.3	-4.1	106.9	S522 S526	S522-R524 PolarHBondContact O-N 3.07Å; R524-S526 PolarHBondContact O-N 3.49Å
525	S	42.1	Very low	44.5	Very low	87 Å²	87	144.9 Å²	144.9	61%	0.608	76%	0.762	S	S	*	*			trans	-62.3	115.9	157.4	-159.3	0	0	0	0	106.3	D527	S525-D527 WeakPolarHBondContact CB-OD1 3.44Å; S525-D527 PolarHBondContact O-N 3.41Å; S525-D527 PolarHBondContact OG-OD1 3.32Å
526	S	42.6	Very low	43.3	Very low	106 Å²	106	145.4 Å²	145.4	74%	0.741	77%	0.773	S	S	*	*			trans	-85.2	75.5	170.5	55.9	0	0	0	0	107.5	R524 P528	R524-S526 PolarHBondContact O-N 3.49Å; S526-P528 WeakPolarHBondContact O-CD 3.42Å
527	D	43.7	Very low	42.5	Very low	135 Å²	135	147.5 Å²	147.5	72%	0.722	77%	0.768	S	S	*	*			trans	-69.6	114.6	175.3	-61.8	-21.6	0	0	0	108.4	S525	S525-D527 WeakPolarHBondContact CB-OD1 3.44Å; S525-D527 PolarHBondContact O-N 3.41Å; S525-D527 PolarHBondContact OG-OD1 3.32Å
528	P	43.1	Very low	42.7	Very low	113 Å²	113	146 Å²	146	73%	0.734	77%	0.77	S	S	*	*			trans	-81.5	169.1	166.7	0.8	21.3	0	0	0	108.9	S526	S526-P528 WeakPolarHBondContact O-CD 3.42Å
529	L	43.6	Very low	42.7	Very low	166 Å²	166	151.7 Å²	151.7	87%	0.869	78%	0.777	S	S	*	*			trans	74.1	68.3	-178.9	-44.9	174.4	0	0	0	114.4
530	D	45.3	Very low	43	Very low	164 Å²	164	150 Å²	150	88%	0.877	78%	0.781	S	S	*	*			trans	-102.7	136.8	134.4	-165.1	6.9	0	0	0	107.7
531	Y	46.8	Very low	43.2	Very low	208 Å²	208	145 Å²	145	82%	0.816	78%	0.779	S	S	*	*			trans	-120	124.7	-169.7	-156.7	-84.5	0	0	0	108.8
532	G	40.4	Very low	43.3	Very low	72 Å²	72	146.9 Å²	146.9	74%	0.742	78%	0.784	S	S	*	*			trans	-58.8	140	-155.6	0	0	0	0	0	116.2
533	V	49.6	Very low	43.5	Very low	114 Å²	114	154.6 Å²	154.6	69%	0.691	81%	0.813	S	S	*	*			trans	-116	102.6	159.6	-178.5	0	0	0	0	107.5	D535	V533-D535 HydrophobicContact CG1-CB 4.22Å; V533-D535 WeakPolarHBondContact CG1-OD2 3.37Å; V533-D535 PolarHBondContact O-N 3.41Å
534	E	44.6	Very low	43.8	Very low	200 Å²	200	151.2 Å²	151.2	94%	0.935	81%	0.81	S	S	*	*			trans	-79.5	65.1	172.9	-65.5	-174.1	138.3	0	0	110.2	G536	E534-G536 PolarHBondContact O-N 3.21Å
535	D	47.5	Very low	44	Very low	149 Å²	149	147.1 Å²	147.1	80%	0.797	81%	0.807	S	S	*	*			trans	-69.6	118.4	175.3	-95.1	-29.3	0	0	0	110.6	V533	V533-D535 HydrophobicContact CG1-CB 4.22Å; V533-D535 WeakPolarHBondContact CG1-OD2 3.37Å; V533-D535 PolarHBondContact O-N 3.41Å
536	G	41.9	Very low	44.1	Very low	62 Å²	62	150.4 Å²	150.4	64%	0.639	82%	0.818	S	S	*	*			trans	-78.4	149.3	-165.7	0	0	0	0	0	116	E534 Q538	E534-G536 PolarHBondContact O-N 3.21Å; G536-Q538 PolarHBondContact O-N 3.43Å
537	E	42	Very low	44.2	Very low	172 Å²	172	153 Å²	153	80%	0.804	82%	0.822	S	S	*	*			trans	16.6	92.4	156.7	-60.2	-162.7	119.2	0	0	118.5
538	Q	50.9	Low	44.3	Very low	183 Å²	183	154.1 Å²	154.1	86%	0.855	83%	0.828	S	S	*	*			trans	-110.1	92.3	153.7	-66.9	-158	14.8	0	0	111.5	G536 C540	G536-Q538 PolarHBondContact O-N 3.43Å; Q538-C540 PolarHBondContact O-N 3.08Å; Q538-C540 VanDerWaalsContact O-N 3.09Å
539	R	43.1	Very low	44.3	Very low	220 Å²	220	156.9 Å²	156.9	83%	0.83	84%	0.835	S	S	*	*			trans	-72.7	89.3	171	-72.2	178.3	170.5	-167.9	-3.2	111.2	S541	R539-S541 PolarHBondContact O-N 3.02Å
540	C	50.2	Low	44.4	Very low	122 Å²	122	156.2 Å²	156.2	82%	0.824	83%	0.832	S	S	*	*			trans	-83.5	87.5	162.3	-73.5	0	0	0	0	110.5	Q538	Q538-C540 PolarHBondContact O-N 3.08Å; Q538-C540 VanDerWaalsContact O-N 3.09Å
541	S	39	Very low	44.3	Very low	111 Å²	111	155.6 Å²	155.6	78%	0.776	83%	0.829	S	S	*	*			trans	-86.9	114.5	164.7	-179.6	0	0	0	0	109.4	R539	R539-S541 PolarHBondContact O-N 3.02Å
542	L	40.9	Very low	44.1	Very low	153 Å²	153	151.3 Å²	151.3	80%	0.801	83%	0.83	S	S	*	*			trans	-161	112.8	171.8	-123.9	140.8	0	0	0	111.5
543	M	39.4	Very low	44.4	Very low	257 Å²	257	158.5 Å²	158.5	100%	1.266	84%	0.838	S	S	*	*			trans	67.4	0	179	-64.2	-175.9	176.6	0	0	116.6

Retrieved 543 of 543 residues in 446.6 ms (Link to these results)

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