A0A087XYZ9_POEFO Loading...

Calcium release activated channel regulator 2B

AlphaFold DB , UniProt , Accession A0A087XYZ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 658 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	31.9	Very low	231 Å²	231	162.1 Å²	162.1	100%	1.138	86%	0.858	S	S	*	*				0	84.4	0	-62.1	164.8	-176.5	0	0	106.6
2	S	29.1	Very low	32.2	Very low	118 Å²	118	159.7 Å²	159.7	83%	0.825	85%	0.853	S	S	*	*			cis	74.5	83.2	20.9	-39.2	0	0	0	0	114.1
3	M	30.5	Very low	32.2	Very low	180 Å²	180	153.1 Å²	153.1	89%	0.887	85%	0.846	S	S	*	*			trans	-155.5	114.6	150.5	-78.9	-166.4	-177.6	0	0	106.9
4	W	28.7	Very low	32.8	Very low	267 Å²	267	156.3 Å²	156.3	100%	1.011	85%	0.852	S	S	*	*			trans	177.5	75.2	159	-88	114.2	0	0	0	106.9
5	L	37.6	Very low	32.7	Very low	160 Å²	160	150.9 Å²	150.9	84%	0.838	85%	0.847	S	S	*	*			trans	-137.2	161.3	164.1	-88.8	170.4	0	0	0	106.1
6	N	30.6	Very low	32.9	Very low	141 Å²	141	158 Å²	158	75%	0.754	86%	0.856	S	S	*	*			trans	94.9	127.7	-153.7	-70.9	60	0	0	0	111.1
7	D	36.1	Very low	32.8	Very low	146 Å²	146	153.4 Å²	153.4	78%	0.781	85%	0.854	S	S	*	*			cis	-146.9	168.1	-12.2	-85.9	-44.6	0	0	0	106.1
8	G	32.9	Very low	33	Very low	71 Å²	71	156.1 Å²	156.1	73%	0.732	86%	0.859	S	S	*	*			cis	118	44.6	21.4	0	0	0	0	0	111
9	E	29.3	Very low	32.7	Very low	173 Å²	173	153 Å²	153	81%	0.808	86%	0.856	S	S	*	*			trans	-113.2	128.7	172	-77.8	-173.7	173.5	0	0	110.9
10	V	30.8	Very low	32.9	Very low	132 Å²	132	152.2 Å²	152.2	80%	0.8	85%	0.854	S	S	*	*			trans	-104.8	121.9	175.8	175	0	0	0	0	108.4
11	L	33	Very low	32.8	Very low	164 Å²	164	150.6 Å²	150.6	86%	0.859	85%	0.851	S	S	*	*			trans	-110.3	121.8	171.6	-77.5	172.7	0	0	0	111	G13	L11-G13 PolarHBondContact O-N 3.02Å
12	V	35.8	Very low	32.6	Very low	133 Å²	133	147.8 Å²	147.8	81%	0.806	84%	0.84	S	S	*	*			trans	-80.2	110.2	179.9	178.6	0	0	0	0	109.7
13	G	31.5	Very low	32.6	Very low	74 Å²	74	147.5 Å²	147.5	76%	0.763	84%	0.838	S	S	*	*			trans	-100.2	116.9	172.3	0	0	0	0	0	111.8	L11	L11-G13 PolarHBondContact O-N 3.02Å
14	Q	40.8	Very low	32.7	Very low	198 Å²	198	145 Å²	145	93%	0.925	84%	0.835	S	S	*	*			trans	-78.1	128	169.4	-71.4	-177.6	-18.1	0	0	110.6
15	G	31.1	Very low	32.7	Very low	75 Å²	75	144.2 Å²	144.2	77%	0.773	83%	0.832	S	S	*	*			trans	-162.7	127.5	172.5	0	0	0	0	0	111.7
16	R	36.8	Very low	32.2	Very low	265 Å²	265	145.1 Å²	145.1	100%	1	84%	0.836	S	S	*	*			trans	-92.8	135.8	170.5	-72.3	-175.7	174.1	-163.1	-1.5	109.6
17	G	31.3	Very low	32.1	Very low	79 Å²	79	149.6 Å²	149.6	81%	0.814	84%	0.843	S	S	*	*			trans	180	124.8	170.8	0	0	0	0	0	110.5
18	E	36.7	Very low	31.7	Very low	203 Å²	203	147.4 Å²	147.4	95%	0.949	84%	0.838	S	S	*	*			trans	-82.9	149.1	-178	-63.6	167.3	120.3	0	0	111.4
19	A	27	Very low	31.4	Very low	97 Å²	97	152.3 Å²	152.3	80%	0.802	85%	0.847	S	S	*	*			trans	-145	125.3	171.3	0	0	0	0	0	110.9
20	V	35.4	Very low	31.6	Very low	136 Å²	136	149.7 Å²	149.7	82%	0.824	85%	0.845	S	S	*	*			trans	-92.2	130.7	179.7	177	0	0	0	0	110.2
21	P	31.3	Very low	31.5	Very low	120 Å²	120	149 Å²	149	78%	0.779	85%	0.846	S	S	*	*			trans	-88.1	128	173.3	32.9	-31.1	0	0	0	112.1
22	L	28.6	Very low	31.2	Very low	172 Å²	172	144.9 Å²	144.9	90%	0.901	84%	0.843	S	S	*	*			trans	-105.3	147.5	162.1	-81.7	170.2	0	0	0	110.1
23	S	29.9	Very low	30.9	Very low	112 Å²	112	143.9 Å²	143.9	78%	0.783	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-88.6	148	-165.3	49.5	0	0	0	0	114.9
24	P	32.5	Very low	31.5	Very low	127 Å²	127	145.9 Å²	145.9	83%	0.825	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-85.9	144.9	177.8	33.9	-34.2	0	0	0	112.8
25	R	27.7	Very low	30.9	Very low	251 Å²	251	147.6 Å²	147.6	95%	0.947	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-101.7	131.3	168	-78.1	-179.3	168.6	176.7	-3.3	110.9
26	L	28.4	Very low	30.7	Very low	178 Å²	178	152.1 Å²	152.1	93%	0.932	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-85.7	145.1	170.8	-81.5	163	0	0	0	112.1
27	R	27.3	Very low	30.3	Very low	236 Å²	236	144.1 Å²	144.1	89%	0.891	83%	0.83	S	S	*	*			trans	-150.2	107.9	162.8	-113.3	-170.7	-177.2	-172	1.1	113.2
28	S	28.9	Very low	30.2	Very low	99 Å²	99	147.5 Å²	147.5	69%	0.692	82%	0.824	S	S	*	*			trans	29.5	127	134.3	62.2	0	0	0	0	121.3
29	L	25.8	Very low	29.7	Very low	174 Å²	174	146.4 Å²	146.4	91%	0.911	81%	0.812	S	S	*	*			trans	-138.3	165.3	141.1	-89.5	174.4	0	0	0	109
30	P	33	Very low	29.8	Very low	118 Å²	118	151.7 Å²	151.7	77%	0.766	81%	0.811	S	S	*	*			trans	-112.7	178.2	-139	42.2	-37.5	0	0	0	116.4
31	S	28.9	Very low	29.4	Very low	119 Å²	119	150.2 Å²	150.2	83%	0.832	81%	0.807	S	S	*	*			trans	-91.6	156.9	177.7	52.2	0	0	0	0	114.1
32	G	27.4	Very low	30.1	Very low	77 Å²	77	150 Å²	150	79%	0.794	81%	0.805	S	S	*	*			trans	-142.1	143.1	170.7	0	0	0	0	0	111.3
33	S	29.7	Very low	30	Very low	111 Å²	111	149.9 Å²	149.9	78%	0.776	80%	0.804	S	S	*	*			trans	-139.1	158.9	-174	-49.1	0	0	0	0	108
34	P	42.5	Very low	29.8	Very low	116 Å²	116	149.5 Å²	149.5	75%	0.753	81%	0.808	S	S	*	*				-152.9	147.6	61.7	38.8	-17.1	0	0	0	119.9
35	R	29.3	Very low	29.7	Very low	235 Å²	235	148.8 Å²	148.8	89%	0.887	81%	0.806	S	S	*	*			trans	37.1	133.4	135.4	-61.6	-178.9	171.1	-171	-2.7	122.3
36	L	27.1	Very low	30.3	Very low	169 Å²	169	141.8 Å²	141.8	89%	0.885	79%	0.793	S	S	*	*				163.5	165.5	121.2	-84.3	165.2	0	0	0	108.3
37	S	27.2	Very low	30.1	Very low	98 Å²	98	142 Å²	142	69%	0.685	79%	0.789	S	S	*	*			cis	-174.2	166.8	-36.3	82.4	0	0	0	0	108
38	Q	30.4	Very low	30.5	Very low	149 Å²	149	135.3 Å²	135.3	70%	0.696	78%	0.784	S	S	*	*			cis	-165.3	166.6	-3.7	-163.4	-169.6	91.3	0	0	108
39	R	25.3	Very low	30.4	Very low	181 Å²	181	142.1 Å²	142.1	68%	0.683	80%	0.795	S	S	*	*			trans	81.3	147.6	160.1	-58.9	-173.3	171.1	-159.4	-2.8	117.9
40	R	29	Very low	30.6	Very low	207 Å²	207	142.6 Å²	142.6	78%	0.781	79%	0.792	S	S	*	*			cis	-152.1	155.3	-6.6	-128.4	176.6	-178.2	-170.9	-3.4	113.4
41	S	28.3	Very low	30.6	Very low	106 Å²	106	142.9 Å²	142.9	74%	0.741	79%	0.794	S	S	*	*			trans	-80.7	171.7	173.5	-24.9	0	0	0	0	113.4
42	P	44	Very low	30.7	Very low	114 Å²	114	143 Å²	143	74%	0.74	79%	0.79	S	S	*	*				-143.6	129.5	96	36	-19.2	0	0	0	115
43	L	27	Very low	31.1	Very low	170 Å²	170	145.4 Å²	145.4	89%	0.89	79%	0.792	S	S	*	*				84.2	108.2	103.5	-82.3	162.9	0	0	0	117.6
44	A	26.6	Very low	31.3	Very low	104 Å²	104	147.4 Å²	147.4	86%	0.86	79%	0.793	S	S	*	*				176.7	142.6	126	0	0	0	0	0	112.3
45	S	30.3	Very low	31.3	Very low	113 Å²	113	145.1 Å²	145.1	79%	0.79	78%	0.78	S	S	*	*			trans	-158.1	152.5	158.5	70.2	0	0	0	0	107.2
46	P	39.4	Very low	32.2	Very low	103 Å²	103	139.1 Å²	139.1	67%	0.669	77%	0.771	S	S	*	*				-151.8	-163.5	76.2	37	-14	0	0	0	115.1
47	H	25.4	Very low	33.2	Very low	183 Å²	183	135.8 Å²	135.8	85%	0.847	75%	0.751	S	S	*	*			trans	83.1	127.3	171.6	-65.3	-65.1	0	0	0	118.7
48	A	34.3	Very low	34.2	Very low	96 Å²	96	133.8 Å²	133.8	79%	0.793	74%	0.74	S	S	*	*			trans	-79.4	147.2	174.8	0	0	0	0	0	111.5
49	R	27.1	Very low	35.3	Very low	241 Å²	241	132.4 Å²	132.4	91%	0.909	73%	0.734	S	S	*	*			trans	-132.8	142.2	149	-78	-173.8	170.4	175.8	-3.8	107.7
50	E	31.3	Very low	36.8	Very low	184 Å²	184	126.9 Å²	126.9	86%	0.86	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-69.3	137.9	171.8	-62.3	157.5	123.9	0	0	109.3
51	P	32.1	Very low	38	Very low	124 Å²	124	121.4 Å²	121.4	81%	0.805	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-76.2	125.8	155.3	30.5	-27.5	0	0	0	108.7
52	T	31.3	Very low	39.4	Very low	123 Å²	123	117.8 Å²	117.8	76%	0.755	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-59.9	158.6	171.4	26.7	0	0	0	0	111.9	L54	T52-L54 PolarHBondContact O-N 3.06Å
53	P	36	Very low	40.3	Very low	126 Å²	126	117.3 Å²	117.3	82%	0.818	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-61.7	133.3	-177.9	25.6	-34.9	0	0	0	111.7
54	L	32.8	Very low	42	Very low	153 Å²	153	109.9 Å²	109.9	80%	0.801	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-67.9	153.8	166.8	-71	166.6	0	0	0	109.9	T52	T52-L54 PolarHBondContact O-N 3.06Å
55	S	43.6	Very low	43.9	Very low	68 Å²	68	110.3 Å²	110.3	48%	0.476	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-67.5	146.1	-178.3	54.3	0	0	0	0	111.8	Q57 A58	S55-Q57 PolarHBondContact O-N 3.09Å; S55-A58 PolarHBondContact O-N 3.15Å; S55-A58 VanDerWaalsContact O-N 3.12Å
56	P	48.3	Very low	45.6	Very low	110 Å²	110	111 Å²	111	71%	0.714	61%	0.607	S	S	*	*	H	α-helix	trans	-55.4	-26.6	-179.3	-27.2	35.2	0	0	0	114.5	A58 E59 T60	P56-A58 VanDerWaalsContact C-N 3.31Å; P56-A58 PolarHBondContact O-N 3.23Å; P56-E59 PolarHBondContact O-N 2.79Å; P56-T60 PolarHBondContact O-N 3.01Å
57	Q	47.7	Very low	47	Very low	98 Å²	98	108.9 Å²	108.9	46%	0.458	59%	0.589	S	S	.	*	H	α-helix	trans	-67.7	-25.5	-177.4	-151.5	169.1	5.8	0	0	113.4	S55 T60 V128	S55-Q57 PolarHBondContact O-N 3.09Å; Q57-T60 PolarHBondContact O-OG1 2.99Å; Q57-T60 VanDerWaalsContact O-OG1 3.11Å; Q57-V128 HydrophobicContact CG-CG1 4.24Å
58	A	48.4	Very low	49.1	Very low	56 Å²	56	101 Å²	101	46%	0.463	55%	0.553	S	S	.	*	H	α-helix	trans	-77	-35.8	175.5	0	0	0	0	0	112.2	S55 P56 G62	S55-A58 PolarHBondContact O-N 3.15Å; S55-A58 VanDerWaalsContact O-N 3.12Å; P56-A58 VanDerWaalsContact C-N 3.31Å; P56-A58 PolarHBondContact O-N 3.23Å; A58-G62 PolarHBondContact O-N 3.43Å; A58-G62 VanDerWaalsContact O-N 3.12Å
59	E	54.1	Low	50.9	Low	120 Å²	120	101.3 Å²	101.3	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-72	-37.9	178.8	-74.5	-161.3	-169.4	0	0	113	P56 G62 K63	P56-E59 PolarHBondContact O-N 2.79Å; E59-G62 PolarHBondContact O-N 3.14Å; E59-K63 WeakPolarHBondContact O-CD 3.5Å; E59-K63 WeakPolarHBondContact O-CG 3.38Å; E59-K63 PolarHBondContact O-N 3.07Å; E59-K63 IonicContact OE2-NZ 2.73Å; E59-K63 PolarHBondContact OE2-NZ 2.89Å
60	T	55.3	Low	52.7	Low	65 Å²	65	93.3 Å²	93.3	40%	0.399	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-45.1	177.2	50	0	0	0	0	111.1	P56 Q57 G62 K63 A64	P56-T60 PolarHBondContact O-N 3.01Å; Q57-T60 PolarHBondContact O-OG1 2.99Å; Q57-T60 VanDerWaalsContact O-OG1 3.11Å; T60-G62 VanDerWaalsContact C-N 3.26Å; T60-G62 PolarHBondContact O-N 3.05Å; T60-K63 PolarHBondContact O-N 3.44Å; T60-A64 WeakPolarHBondContact O-CB 3.39Å; T60-A64 PolarHBondContact O-N 3.26Å
61	M	55.1	Low	54.6	Low	93 Å²	93	84.8 Å²	84.8	46%	0.458	48%	0.48	S	S	.	.	H	α-helix	trans	-62.6	-27.5	172.4	-81.1	-115.2	-127.8	0	0	114	K65	M61-K65 WeakPolarHBondContact O-CD 3.39Å; M61-K65 WeakPolarHBondContact O-CG 3.44Å
62	G	58	Low	56.6	Low	29 Å²	29	79.8 Å²	79.8	30%	0.299	45%	0.447	S	S	.	.	H	α-helix	trans	-68	-54.6	169.7	0	0	0	0	0	111.6	A58 E59 T60 A64 K65 E66	A58-G62 PolarHBondContact O-N 3.43Å; A58-G62 VanDerWaalsContact O-N 3.12Å; E59-G62 PolarHBondContact O-N 3.14Å; T60-G62 VanDerWaalsContact C-N 3.26Å; T60-G62 PolarHBondContact O-N 3.05Å; G62-A64 VanDerWaalsContact C-N 3.29Å; G62-A64 PolarHBondContact O-N 3.3Å; G62-K65 WeakPolarHBondContact O-CB 3.41Å; G62-K65 PolarHBondContact O-N 3.34Å; G62-E66 PolarHBondContact O-N 3.32Å; G62-E66 VanDerWaalsContact O-N 3.11Å
63	K	62.3	Low	58.2	Low	104 Å²	104	79.6 Å²	79.6	45%	0.452	44%	0.435	S	S	.	.	H	α-helix	trans	-61.9	-34.2	-178.3	-67.8	158.5	-167.3	165.7	0	112.3	E59 T60 K65 E66 L67	E59-K63 WeakPolarHBondContact O-CD 3.5Å; E59-K63 WeakPolarHBondContact O-CG 3.38Å; E59-K63 PolarHBondContact O-N 3.07Å; E59-K63 IonicContact OE2-NZ 2.73Å; E59-K63 PolarHBondContact OE2-NZ 2.89Å; T60-K63 PolarHBondContact O-N 3.44Å; K63-K65 VanDerWaalsContact C-N 3.33Å; K63-K65 PolarHBondContact O-N 3.39Å; K63-E66 PolarHBondContact O-N 3.41Å; K63-L67 WeakPolarHBondContact O-CB 3.49Å; K63-L67 WeakPolarHBondContact O-CG 3.3Å; K63-L67 PolarHBondContact O-N 2.96Å
64	A	63.3	Low	59.6	Low	14 Å²	14	78.7 Å²	78.7	12%	0.116	42%	0.42	C	S	.	.	H	α-helix	trans	-63.2	-34.6	172.2	0	0	0	0	0	113.4	T60 G62 F68 L122	T60-A64 WeakPolarHBondContact O-CB 3.39Å; T60-A64 PolarHBondContact O-N 3.26Å; G62-A64 VanDerWaalsContact C-N 3.29Å; G62-A64 PolarHBondContact O-N 3.3Å; A64-F68 PolarHBondContact O-N 3.41Å; A64-F68 VanDerWaalsContact O-N 3.12Å; A64-L122 HydrophobicContact CB-CD2 4.04Å
65	K	65.2	Low	61.2	Low	113 Å²	113	74.6 Å²	74.6	49%	0.491	42%	0.415	S	S	.	.	H	α-helix	trans	-72.5	-38.6	174.7	-70.7	164.6	-173.9	171.5	0	111.6	M61 G62 K63 F68 V69 K119	M61-K65 WeakPolarHBondContact O-CD 3.39Å; M61-K65 WeakPolarHBondContact O-CG 3.44Å; G62-K65 WeakPolarHBondContact O-CB 3.41Å; G62-K65 PolarHBondContact O-N 3.34Å; K63-K65 VanDerWaalsContact C-N 3.33Å; K63-K65 PolarHBondContact O-N 3.39Å; K65-F68 PolarHBondContact O-N 2.89Å; K65-V69 WeakPolarHBondContact O-CG2 3.31Å; K65-V69 PolarHBondContact O-N 3.42Å; K65-K119 HydrophobicContact CG-CD 4.4Å; K65-K119 VanDerWaalsContact CG-CE 3.49Å
66	E	66.8	Low	62.5	Low	128 Å²	128	74.8 Å²	74.8	60%	0.598	41%	0.407	S	S	*	.	H	α-helix	trans	-64.3	-44.6	174.7	-66.4	176.4	158.8	0	0	111.2	G62 K63 F68 V69 L70	G62-E66 PolarHBondContact O-N 3.32Å; G62-E66 VanDerWaalsContact O-N 3.11Å; K63-E66 PolarHBondContact O-N 3.41Å; E66-F68 PolarHBondContact O-N 2.97Å; E66-V69 PolarHBondContact O-N 3.43Å; E66-L70 WeakPolarHBondContact O-CG 3.44Å; E66-L70 PolarHBondContact O-N 2.97Å
67	L	67.9	Low	63.5	Low	58 Å²	58	71.2 Å²	71.2	30%	0.304	39%	0.391	S	S	.	.	H	α-helix	trans	-59	-44.5	174	-74.8	169.6	0	0	0	112.3	K63 V69 L70 C71 F118	K63-L67 WeakPolarHBondContact O-CB 3.49Å; K63-L67 WeakPolarHBondContact O-CG 3.3Å; K63-L67 PolarHBondContact O-N 2.96Å; L67-V69 VanDerWaalsContact C-N 3.27Å; L67-V69 PolarHBondContact O-N 2.84Å; L67-L70 PolarHBondContact O-N 3.38Å; L67-C71 PolarHBondContact O-N 3.23Å; L67-C71 PolarHBondContact O-SG 3.19Å; L67-F118 HydrophobicContact CB-CE1 4.41Å; L67-F118 HydrophobicContact CB-CZ 4.39Å
68	F	71.1	Confident	65	Low	18 Å²	18	70.1 Å²	70.1	8%	0.079	38%	0.384	C	S	.	.	H	α-helix	trans	-57.2	-40.8	176.8	-171.5	-83.2	0	0	0	112.3	A64 K65 E66 C71 D72 I79 P115 F118	A64-F68 PolarHBondContact O-N 3.41Å; A64-F68 VanDerWaalsContact O-N 3.12Å; K65-F68 PolarHBondContact O-N 2.89Å; E66-F68 PolarHBondContact O-N 2.97Å; F68-C71 WeakPolarHBondContact O-CB 3.23Å; F68-C71 PolarHBondContact O-N 3.34Å; F68-D72 HydrophobicContact CE1-CB 4.35Å; F68-D72 PolarHBondContact O-N 3.48Å; F68-I79 HydrophobicContact CD2-CD1 3.36Å; F68-I79 HydrophobicContact CD2-CG1 4.08Å; F68-I79 HydrophobicContact CE2-CD1 3.48Å; F68-I79 VanDerWaalsContact CE2-CD1 3.48Å; F68-I79 HydrophobicContact CE2-CG1 3.71Å; F68-I79 HydrophobicContact CG-CD1 4.07Å; F68-I79 HydrophobicContact CZ-CD1 4.26Å; F68-I79 HydrophobicContact CZ-CG1 4.06Å; F68-P115 HydrophobicContact CD2-CB 4.46Å; F68-P115 HydrophobicContact CE1-CB 4.14Å; F68-P115 HydrophobicContact CE1-CG 3.99Å; F68-P115 VanDerWaalsContact CE2-CA 3.5Å; F68-P115 HydrophobicContact CE2-CB 3.97Å; F68-P115 HydrophobicContact CE2-CG 4.15Å; F68-P115 HydrophobicContact CZ-CB 3.8Å; F68-P115 HydrophobicContact CZ-CG 3.56Å; F68-F118 HydrophobicContact CB-CD1 4.09Å; F68-F118 HydrophobicContact CB-CE1 4.11Å; F68-F118 HydrophobicContact CD2-CB 3.94Å; F68-F118 AromaticContact CD2-CD1 3.71Å; F68-F118 HydrophobicContact CD2-CD1 3.71Å; F68-F118 HydrophobicContact CD2-CE1 4.41Å; F68-F118 AromaticContact CD2-CG 3.85Å; F68-F118 HydrophobicContact CD2-CG 3.85Å; F68-F118 HydrophobicContact CE2-CB 4.2Å; F68-F118 HydrophobicContact CE2-CG 4.5Å; F68-F118 HydrophobicContact CG-CD1 4.41Å
69	V	71.1	Confident	66.4	Low	103 Å²	103	67.4 Å²	67.4	62%	0.624	36%	0.362	S	S	*	.	H	α-helix	trans	-72.1	-28.1	177.2	174.9	0	0	0	0	112.4	K65 E66 L67	K65-V69 WeakPolarHBondContact O-CG2 3.31Å; K65-V69 PolarHBondContact O-N 3.42Å; E66-V69 PolarHBondContact O-N 3.43Å; L67-V69 VanDerWaalsContact C-N 3.27Å; L67-V69 PolarHBondContact O-N 2.84Å
70	L	65.5	Low	67.7	Low	72 Å²	72	62.9 Å²	62.9	38%	0.377	34%	0.343	S	S	.	.	H	α-helix	trans	-74.5	-27.9	172.4	-70.5	169.6	0	0	0	113	E66 L67 K73	E66-L70 WeakPolarHBondContact O-CG 3.44Å; E66-L70 PolarHBondContact O-N 2.97Å; L67-L70 PolarHBondContact O-N 3.38Å; L70-K73 WeakPolarHBondContact O-CD 3.3Å; L70-K73 WeakPolarHBondContact O-CE 3.42Å; L70-K73 WeakPolarHBondContact O-CG 3.44Å; L70-K73 PolarHBondContact O-NZ 3.4Å
71	C	69.9	Low	68.7	Low	5 Å²	5	62.6 Å²	62.6	3%	0.034	34%	0.336	C	S	.	.	H	α-helix	trans	-71.6	-53.2	169.3	-59.1	0	0	0	0	111.1	L67 F68 K73 I79	L67-C71 PolarHBondContact O-N 3.23Å; L67-C71 PolarHBondContact O-SG 3.19Å; F68-C71 WeakPolarHBondContact O-CB 3.23Å; F68-C71 PolarHBondContact O-N 3.34Å; C71-K73 PolarHBondContact O-N 3.15Å; C71-I79 HydrophobicContact CB-CB 4.46Å; C71-I79 HydrophobicContact CB-CD1 3.43Å; C71-I79 VanDerWaalsContact CB-CD1 3.43Å; C71-I79 HydrophobicContact CB-CG1 3.61Å; C71-I79 HydrophobicContact CB-CG2 4.01Å
72	D	74.5	Confident	69.5	Low	20 Å²	20	67.5 Å²	67.5	11%	0.107	35%	0.349	C	S	.	.			trans	-84.7	58.5	-174.7	-171.4	19.5	0	0	0	113.1	F68 E74 G75 K76 G77	F68-D72 HydrophobicContact CE1-CB 4.35Å; F68-D72 PolarHBondContact O-N 3.48Å; D72-E74 PolarHBondContact O-N 2.97Å; D72-G75 PolarHBondContact O-N 3.3Å; D72-G75 VanDerWaalsContact O-N 3.14Å; D72-G75 PolarHBondContact OD1-N 3.21Å; D72-G75 WeakPolarHBondContact OD2-CA 3.43Å; D72-K76 VanDerWaalsContact CG-N 3.27Å; D72-K76 PolarHBondContact OD1-N 3.35Å; D72-K76 PolarHBondContact OD2-N 2.91Å; D72-G77 PolarHBondContact OD2-N 3.01Å
73	K	64.8	Low	70.3	Confident	118 Å²	118	66.3 Å²	66.3	51%	0.513	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-5.6	175	-75.8	162.4	176.5	155.6	0	113.7	L70 C71 E90	L70-K73 WeakPolarHBondContact O-CD 3.3Å; L70-K73 WeakPolarHBondContact O-CE 3.42Å; L70-K73 WeakPolarHBondContact O-CG 3.44Å; L70-K73 PolarHBondContact O-NZ 3.4Å; C71-K73 PolarHBondContact O-N 3.15Å; K73-E90 IonicContact NZ-OE1 3.38Å; K73-E90 PolarHBondContact NZ-OE1 3.36Å; K73-E90 IonicContact NZ-OE2 2.67Å
74	E	65.8	Low	70.8	Confident	108 Å²	108	61.8 Å²	61.8	51%	0.505	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-6.2	177.1	-71.7	175.3	-147.3	0	0	113.4	D72 K76 R86	D72-E74 PolarHBondContact O-N 2.97Å; E74-K76 HydrophobicContact CB-CD 4.35Å; E74-K76 HydrophobicContact CB-CG 4.24Å; E74-K76 IonicContact OE1-NZ 2.74Å; E74-K76 WeakPolarHBondContact OE2-CE 3.37Å; E74-K76 IonicContact OE2-NZ 3.21Å; E74-K76 PolarHBondContact OE2-NZ 2.92Å; E74-R86 IonicContact OE1-CZ 2.6Å; E74-R86 VanDerWaalsContact OE1-CZ 3.24Å; E74-R86 IonicContact OE1-NH1 2.68Å; E74-R86 PolarHBondContact OE1-NH1 2.88Å; E74-R86 IonicContact OE1-NH2 2.68Å; E74-R86 PolarHBondContact OE1-NH2 3.45Å
75	G	66.1	Low	71.1	Confident	66 Å²	66	64.1 Å²	64.1	68%	0.68	33%	0.325	S	S	*	.			trans	72.1	30.1	173.8	0	0	0	0	0	115.3	D72	D72-G75 PolarHBondContact O-N 3.3Å; D72-G75 VanDerWaalsContact O-N 3.14Å; D72-G75 PolarHBondContact OD1-N 3.21Å; D72-G75 WeakPolarHBondContact OD2-CA 3.43Å
76	K	71.2	Confident	71.3	Confident	72 Å²	72	65.3 Å²	65.3	31%	0.313	33%	0.327	S	S	.	.			trans	-75.3	-24.2	-176	-64.5	166.4	-176	151.7	0	114	D72 E74 F78 D83	D72-K76 VanDerWaalsContact CG-N 3.27Å; D72-K76 PolarHBondContact OD1-N 3.35Å; D72-K76 PolarHBondContact OD2-N 2.91Å; E74-K76 HydrophobicContact CB-CD 4.35Å; E74-K76 HydrophobicContact CB-CG 4.24Å; E74-K76 IonicContact OE1-NZ 2.74Å; E74-K76 WeakPolarHBondContact OE2-CE 3.37Å; E74-K76 IonicContact OE2-NZ 3.21Å; E74-K76 PolarHBondContact OE2-NZ 2.92Å; K76-F78 VanDerWaalsContact C-N 3.34Å; K76-F78 HydrophobicContact CB-CD1 4.06Å; K76-F78 HydrophobicContact CB-CD2 4.35Å; K76-F78 HydrophobicContact CB-CE1 3.85Å; K76-F78 HydrophobicContact CB-CE2 4.16Å; K76-F78 HydrophobicContact CB-CG 4.32Å; K76-F78 HydrophobicContact CB-CZ 3.91Å; K76-F78 HydrophobicContact CD-CE2 3.96Å; K76-F78 HydrophobicContact CD-CZ 4.17Å; K76-F78 HydrophobicContact CG-CZ 4.34Å; K76-F78 WeakPolarHBondContact O-CD1 3.45Å; K76-D83 IonicContact NZ-OD1 3.84Å; K76-D83 IonicContact NZ-OD2 2.96Å; K76-D83 PolarHBondContact NZ-OD2 3.42Å
77	G	70.3	Confident	71.1	Confident	36 Å²	36	59.6 Å²	59.6	37%	0.371	30%	0.3	S	S	.	.	S	Bend	trans	81.8	6.3	-170.7	0	0	0	0	0	114.6	D72 P115	D72-G77 PolarHBondContact OD2-N 3.01Å; G77-P115 WeakPolarHBondContact O-CD 3.41Å; G77-P115 VanDerWaalsContact O-CG 3.23Å; G77-P115 WeakPolarHBondContact O-CG 3.49Å
78	F	77.9	Confident	70.6	Confident	74 Å²	74	63.1 Å²	63.1	33%	0.325	32%	0.315	S	S	.	.	S	Bend	trans	-150.8	153.7	177.4	57.9	-99.1	0	0	0	110.8	K76 T80 F112 L113	K76-F78 VanDerWaalsContact C-N 3.34Å; K76-F78 HydrophobicContact CB-CD1 4.06Å; K76-F78 HydrophobicContact CB-CD2 4.35Å; K76-F78 HydrophobicContact CB-CE1 3.85Å; K76-F78 HydrophobicContact CB-CE2 4.16Å; K76-F78 HydrophobicContact CB-CG 4.32Å; K76-F78 HydrophobicContact CB-CZ 3.91Å; K76-F78 HydrophobicContact CD-CE2 3.96Å; K76-F78 HydrophobicContact CD-CZ 4.17Å; K76-F78 HydrophobicContact CG-CZ 4.34Å; K76-F78 WeakPolarHBondContact O-CD1 3.45Å; F78-T80 HydrophobicContact CD2-CG2 4.4Å; F78-T80 HydrophobicContact CE2-CG2 4.18Å; F78-F112 HydrophobicContact CD2-CB 4.2Å; F78-F112 AromaticContact CD2-CD1 3.56Å; F78-F112 HydrophobicContact CD2-CD1 3.56Å; F78-F112 HydrophobicContact CD2-CE1 4.41Å; F78-F112 HydrophobicContact CD2-CG 4.3Å; F78-F112 AromaticContact CE2-CD1 3.51Å; F78-F112 HydrophobicContact CE2-CD1 3.51Å; F78-F112 AromaticContact CE2-CE1 3.91Å; F78-F112 HydrophobicContact CE2-CE1 3.91Å; F78-F112 HydrophobicContact CZ-CD1 4.46Å; F78-L113 CarbonylContact C-O 3.51Å; F78-L113 WeakPolarHBondContact CA-O 3.38Å
79	I	77.7	Confident	69.9	Low	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.2	-178.5	-58.9	166.8	0	0	0	109.4	F68 C71 D83 M84 F102 L113 F118	F68-I79 HydrophobicContact CD2-CD1 3.36Å; F68-I79 HydrophobicContact CD2-CG1 4.08Å; F68-I79 HydrophobicContact CE2-CD1 3.48Å; F68-I79 VanDerWaalsContact CE2-CD1 3.48Å; F68-I79 HydrophobicContact CE2-CG1 3.71Å; F68-I79 HydrophobicContact CG-CD1 4.07Å; F68-I79 HydrophobicContact CZ-CD1 4.26Å; F68-I79 HydrophobicContact CZ-CG1 4.06Å; C71-I79 HydrophobicContact CB-CB 4.46Å; C71-I79 HydrophobicContact CB-CD1 3.43Å; C71-I79 VanDerWaalsContact CB-CD1 3.43Å; C71-I79 HydrophobicContact CB-CG1 3.61Å; C71-I79 HydrophobicContact CB-CG2 4.01Å; I79-D83 HydrophobicContact CG2-CB 4.08Å; I79-M84 HydrophobicContact CG2-CB 4.2Å; I79-F102 HydrophobicContact CG2-CE2 4.47Å; I79-F102 WeakPolarHBondContact O-CE2 3.23Å; I79-L113 HydrophobicContact CB-CB 4.32Å; I79-L113 PolarHBondContact N-O 2.92Å; I79-L113 PolarHBondContact O-N 3.22Å; I79-F118 HydrophobicContact CD1-CD2 3.83Å; I79-F118 HydrophobicContact CD1-CE2 4.02Å; I79-F118 HydrophobicContact CD1-CG 4.16Å; I79-F118 HydrophobicContact CD1-CZ 4.5Å
80	T	81.1	Confident	69.4	Low	25 Å²	25	66.3 Å²	66.3	15%	0.153	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	159.8	169.4	73.4	0	0	0	0	111.7	F78 R82 D83 M84 F102 F112	F78-T80 HydrophobicContact CD2-CG2 4.4Å; F78-T80 HydrophobicContact CE2-CG2 4.18Å; T80-R82 PolarHBondContact O-N 3.01Å; T80-R82 VanDerWaalsContact O-N 3.12Å; T80-R82 PolarHBondContact OG1-N 3.44Å; T80-D83 WeakPolarHBondContact CB-OD2 3.26Å; T80-D83 WeakPolarHBondContact CG2-OD2 3.18Å; T80-D83 PolarHBondContact N-OD2 3.21Å; T80-D83 WeakPolarHBondContact O-CA 3.45Å; T80-D83 WeakPolarHBondContact O-CB 3.36Å; T80-D83 PolarHBondContact O-N 3.08Å; T80-D83 VanDerWaalsContact OG1-CG 3.24Å; T80-D83 PolarHBondContact OG1-N 3.42Å; T80-D83 PolarHBondContact OG1-OD2 2.65Å; T80-M84 PolarHBondContact O-N 3.02Å; T80-F102 VanDerWaalsContact C-CE2 3.43Å; T80-F112 HydrophobicContact CG2-CD1 3.72Å; T80-F112 HydrophobicContact CG2-CE1 3.73Å
81	K	76.5	Confident	69.2	Low	59 Å²	59	65.9 Å²	65.9	26%	0.257	34%	0.341	S	S	.	.	H	α-helix	trans	-51.2	-33.9	170	-172.2	165.1	175.3	173.7	0	113.1	Q85 E99 F102 E103	K81-Q85 WeakPolarHBondContact O-CG 3.46Å; K81-Q85 PolarHBondContact O-N 2.96Å; K81-E99 VanDerWaalsContact CE-CG 3.43Å; K81-E99 WeakPolarHBondContact CE-OE1 3.46Å; K81-E99 VanDerWaalsContact NZ-CD 3.26Å; K81-E99 IonicContact NZ-OE1 3.14Å; K81-E99 PolarHBondContact NZ-OE1 2.94Å; K81-F102 HydrophobicContact CB-CD1 4Å; K81-F102 HydrophobicContact CB-CD2 4.33Å; K81-F102 HydrophobicContact CB-CE1 3.93Å; K81-F102 HydrophobicContact CB-CE2 4.26Å; K81-F102 HydrophobicContact CB-CG 4.21Å; K81-F102 HydrophobicContact CB-CZ 4.06Å; K81-F102 HydrophobicContact CD-CD1 4.29Å; K81-F102 HydrophobicContact CG-CD1 4.18Å; K81-F102 HydrophobicContact CG-CG 4.28Å; K81-F102 VanDerWaalsContact N-CE2 3.27Å; K81-E103 IonicContact NZ-OE1 2.66Å; K81-E103 PolarHBondContact NZ-OE1 3.28Å
82	R	72.4	Confident	68.7	Low	196 Å²	196	71.6 Å²	71.6	74%	0.74	38%	0.379	S	S	*	.	H	α-helix	trans	-74.1	-34.7	174.2	-65.4	-178.8	-176.6	159.2	3.4	113.1	T80 M84 Q85 R86	T80-R82 PolarHBondContact O-N 3.01Å; T80-R82 VanDerWaalsContact O-N 3.12Å; T80-R82 PolarHBondContact OG1-N 3.44Å; R82-M84 VanDerWaalsContact C-N 3.32Å; R82-Q85 PolarHBondContact O-N 3.41Å; R82-R86 WeakPolarHBondContact O-CG 3.28Å; R82-R86 PolarHBondContact O-N 3.32Å
83	D	75.6	Confident	68.3	Low	4 Å²	4	74.2 Å²	74.2	2%	0.021	39%	0.392	C	S	.	.	H	α-helix	trans	-68.3	-34	177.3	-65.7	-56.4	0	0	0	111.3	K76 I79 T80 R86	K76-D83 IonicContact NZ-OD1 3.84Å; K76-D83 IonicContact NZ-OD2 2.96Å; K76-D83 PolarHBondContact NZ-OD2 3.42Å; I79-D83 HydrophobicContact CG2-CB 4.08Å; T80-D83 WeakPolarHBondContact CB-OD2 3.26Å; T80-D83 WeakPolarHBondContact CG2-OD2 3.18Å; T80-D83 PolarHBondContact N-OD2 3.21Å; T80-D83 WeakPolarHBondContact O-CA 3.45Å; T80-D83 WeakPolarHBondContact O-CB 3.36Å; T80-D83 PolarHBondContact O-N 3.08Å; T80-D83 VanDerWaalsContact OG1-CG 3.24Å; T80-D83 PolarHBondContact OG1-N 3.42Å; T80-D83 PolarHBondContact OG1-OD2 2.65Å; D83-R86 WeakPolarHBondContact O-CB 3.14Å; D83-R86 PolarHBondContact O-N 2.87Å; D83-R86 IonicContact OD1-CZ 2.63Å; D83-R86 IonicContact OD1-NE 2.88Å; D83-R86 IonicContact OD1-NH1 2.66Å; D83-R86 PolarHBondContact OD1-NH1 2.97Å
84	M	73.2	Confident	68.7	Low	8 Å²	8	70.6 Å²	70.6	4%	0.039	38%	0.382	C	S	.	.	H	α-helix	trans	-75.6	-32.4	173.5	-138.9	169.3	83.5	0	0	113.1	I79 T80 R82 R86 L87 L98 V101 F102 F118	I79-M84 HydrophobicContact CG2-CB 4.2Å; T80-M84 PolarHBondContact O-N 3.02Å; R82-M84 VanDerWaalsContact C-N 3.32Å; M84-R86 PolarHBondContact O-N 3.41Å; M84-L87 HydrophobicContact CG-CD1 3.89Å; M84-L87 WeakPolarHBondContact O-CB 3.32Å; M84-L87 PolarHBondContact O-N 2.8Å; M84-L98 HydrophobicContact CE-CB 4.47Å; M84-L98 HydrophobicContact CE-CD2 4.32Å; M84-L98 WeakPolarHBondContact CE-O 3.26Å; M84-V101 HydrophobicContact CE-CB 4.04Å; M84-V101 HydrophobicContact CE-CG1 3.88Å; M84-F102 HydrophobicContact CB-CD2 4.24Å; M84-F102 HydrophobicContact CE-CB 3.81Å; M84-F102 HydrophobicContact CE-CD2 4.34Å; M84-F102 HydrophobicContact SD-CD2 4.09Å; M84-F118 HydrophobicContact SD-CE2 4.43Å
85	Q	68.9	Low	68.7	Low	63 Å²	63	67.5 Å²	67.5	29%	0.294	37%	0.371	S	S	.	.	H	α-helix	trans	-63.7	-26.8	170.1	-74.9	169.2	-18.3	0	0	112.8	K81 R82 L87 E88 E99	K81-Q85 WeakPolarHBondContact O-CG 3.46Å; K81-Q85 PolarHBondContact O-N 2.96Å; R82-Q85 PolarHBondContact O-N 3.41Å; Q85-L87 PolarHBondContact O-N 2.89Å; Q85-L87 VanDerWaalsContact O-N 3.11Å; Q85-E88 WeakPolarHBondContact O-CB 3.38Å; Q85-E88 PolarHBondContact O-N 3.18Å; Q85-E99 PolarHBondContact NE2-OE2 3.43Å
86	R	69.1	Low	68.9	Low	139 Å²	139	71.6 Å²	71.6	53%	0.525	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-3.6	173.7	-69.4	167.7	175.8	-179	-16.2	114.3	E74 R82 D83 M84 E88	E74-R86 IonicContact OE1-CZ 2.6Å; E74-R86 VanDerWaalsContact OE1-CZ 3.24Å; E74-R86 IonicContact OE1-NH1 2.68Å; E74-R86 PolarHBondContact OE1-NH1 2.88Å; E74-R86 IonicContact OE1-NH2 2.68Å; E74-R86 PolarHBondContact OE1-NH2 3.45Å; R82-R86 WeakPolarHBondContact O-CG 3.28Å; R82-R86 PolarHBondContact O-N 3.32Å; D83-R86 WeakPolarHBondContact O-CB 3.14Å; D83-R86 PolarHBondContact O-N 2.87Å; D83-R86 IonicContact OD1-CZ 2.63Å; D83-R86 IonicContact OD1-NE 2.88Å; D83-R86 IonicContact OD1-NH1 2.66Å; D83-R86 PolarHBondContact OD1-NH1 2.97Å; M84-R86 PolarHBondContact O-N 3.41Å; R86-E88 VanDerWaalsContact C-N 3.31Å
87	L	62.5	Low	68.8	Low	8 Å²	8	72.6 Å²	72.6	4%	0.042	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.7	173.4	-62.7	172.8	0	0	0	113.8	M84 Q85 G89 E90 L91	M84-L87 HydrophobicContact CG-CD1 3.89Å; M84-L87 WeakPolarHBondContact O-CB 3.32Å; M84-L87 PolarHBondContact O-N 2.8Å; Q85-L87 PolarHBondContact O-N 2.89Å; Q85-L87 VanDerWaalsContact O-N 3.11Å; L87-G89 PolarHBondContact O-N 3.44Å; L87-E90 PolarHBondContact O-N 2.93Å; L87-L91 HydrophobicContact CD1-CD1 4.1Å; L87-L91 PolarHBondContact O-N 3.24Å
88	E	57.6	Low	68.8	Low	131 Å²	131	71.1 Å²	71.1	61%	0.612	36%	0.362	S	S	*	.	B	Isolated β-bridge	trans	-59.7	94.4	176	-171.8	173.7	-154.6	0	0	110.9	Q85 R86 P95	Q85-E88 WeakPolarHBondContact O-CB 3.38Å; Q85-E88 PolarHBondContact O-N 3.18Å; R86-E88 VanDerWaalsContact C-N 3.31Å; E88-P95 WeakPolarHBondContact OE1-CD 3.34Å
89	G	56.8	Low	68.7	Low	76 Å²	76	70.8 Å²	70.8	78%	0.784	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	128.6	-21.1	-174	0	0	0	0	0	115.2	L87	L87-G89 PolarHBondContact O-N 3.44Å
90	E	60.7	Low	68.4	Low	112 Å²	112	74.7 Å²	74.7	52%	0.523	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-23.8	172.7	-70.5	-177	-140.7	0	0	112.4	K73 L87	K73-E90 IonicContact NZ-OE1 3.38Å; K73-E90 PolarHBondContact NZ-OE1 3.36Å; K73-E90 IonicContact NZ-OE2 2.67Å; L87-E90 PolarHBondContact O-N 2.93Å
91	L	61.3	Low	68	Low	63 Å²	63	75.4 Å²	75.4	33%	0.33	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-121.8	148	174.7	-68.8	172.9	0	0	0	112	L87 L93	L87-L91 HydrophobicContact CD1-CD1 4.1Å; L87-L91 PolarHBondContact O-N 3.24Å; L91-L93 PolarHBondContact O-N 3.06Å
92	P	58.1	Low	68	Low	126 Å²	126	72.8 Å²	72.8	82%	0.818	38%	0.378	S	S	*	.	S	Bend	trans	-84.8	50.8	-177.9	37.2	-37.8	0	0	0	112.6
93	L	66.6	Low	68.2	Low	74 Å²	74	68.1 Å²	68.1	39%	0.387	37%	0.365	S	S	.	.			trans	-127.9	147.9	-178.7	-64.8	175.6	0	0	0	110.3	L91 Q97 L98	L91-L93 PolarHBondContact O-N 3.06Å; L93-Q97 HydrophobicContact CB-CB 4.21Å; L93-Q97 HydrophobicContact CD2-CB 4.43Å; L93-L98 HydrophobicContact CB-CG 4.17Å; L93-L98 HydrophobicContact CD1-CD2 4.29Å
94	S	73.1	Confident	68.1	Low	42 Å²	42	70.9 Å²	70.9	29%	0.294	38%	0.384	S	S	.	.			trans	-73.4	158.9	173	77.5	0	0	0	0	111.5	E96 Q97 L98	S94-E96 PolarHBondContact O-N 2.9Å; S94-Q97 WeakPolarHBondContact O-CB 3.49Å; S94-Q97 PolarHBondContact O-N 3.45Å; S94-Q97 WeakPolarHBondContact OG-CG 3.41Å; S94-Q97 PolarHBondContact OG-N 2.87Å; S94-Q97 VanDerWaalsContact OG-N 3.15Å; S94-L98 PolarHBondContact O-N 3.41Å
95	P	66.9	Low	68.2	Low	44 Å²	44	70.7 Å²	70.7	29%	0.286	38%	0.384	S	S	.	.	H	α-helix	trans	-59.1	-32.3	174.7	21.2	-32.3	0	0	0	112.6	E88 L98 E99	E88-P95 WeakPolarHBondContact OE1-CD 3.34Å; P95-L98 PolarHBondContact O-N 2.94Å; P95-E99 WeakPolarHBondContact O-CB 3.45Å; P95-E99 PolarHBondContact O-N 3.02Å
96	E	69.7	Low	68.6	Low	152 Å²	152	68.2 Å²	68.2	71%	0.71	37%	0.372	S	S	*	.	H	α-helix	trans	-68.9	-32.1	174.5	-59.8	172.8	169.2	0	0	112.8	S94 T100	S94-E96 PolarHBondContact O-N 2.9Å; E96-T100 PolarHBondContact O-N 3.23Å; E96-T100 VanDerWaalsContact O-N 3.1Å; E96-T100 PolarHBondContact O-OG1 3.35Å
97	Q	70	Confident	68.5	Low	93 Å²	93	69.1 Å²	69.1	44%	0.435	38%	0.376	S	S	.	.	H	α-helix	trans	-75.3	-36.4	173	-73	170.5	-28.4	0	0	111.6	L93 S94 T100 V101	L93-Q97 HydrophobicContact CB-CB 4.21Å; L93-Q97 HydrophobicContact CD2-CB 4.43Å; S94-Q97 WeakPolarHBondContact O-CB 3.49Å; S94-Q97 PolarHBondContact O-N 3.45Å; S94-Q97 WeakPolarHBondContact OG-CG 3.41Å; S94-Q97 PolarHBondContact OG-N 2.87Å; S94-Q97 VanDerWaalsContact OG-N 3.15Å; Q97-T100 WeakPolarHBondContact CA-OG1 3.15Å; Q97-T100 PolarHBondContact O-OG1 3.45Å; Q97-V101 VanDerWaalsContact O-CG2 3.28Å; Q97-V101 WeakPolarHBondContact O-CG2 3.38Å; Q97-V101 PolarHBondContact O-N 2.76Å
98	L	70.3	Confident	68.8	Low	5 Å²	5	75.5 Å²	75.5	3%	0.026	41%	0.405	C	S	.	.	H	α-helix	trans	-66.9	-39.3	171.9	-72.7	161.5	0	0	0	111	M84 L93 S94 P95 V101 F102	M84-L98 HydrophobicContact CE-CB 4.47Å; M84-L98 HydrophobicContact CE-CD2 4.32Å; M84-L98 WeakPolarHBondContact CE-O 3.26Å; L93-L98 HydrophobicContact CB-CG 4.17Å; L93-L98 HydrophobicContact CD1-CD2 4.29Å; S94-L98 PolarHBondContact O-N 3.41Å; P95-L98 PolarHBondContact O-N 2.94Å; L98-V101 PolarHBondContact O-N 3.25Å; L98-F102 PolarHBondContact O-N 2.98Å
99	E	74.5	Confident	69.3	Low	66 Å²	66	75.4 Å²	75.4	31%	0.308	41%	0.409	S	S	.	.	H	α-helix	trans	-60.1	-46.3	175.1	-179.2	135.7	-179.9	0	0	112.3	K81 Q85 P95 F102 E103	K81-E99 VanDerWaalsContact CE-CG 3.43Å; K81-E99 WeakPolarHBondContact CE-OE1 3.46Å; K81-E99 VanDerWaalsContact NZ-CD 3.26Å; K81-E99 IonicContact NZ-OE1 3.14Å; K81-E99 PolarHBondContact NZ-OE1 2.94Å; Q85-E99 PolarHBondContact NE2-OE2 3.43Å; P95-E99 WeakPolarHBondContact O-CB 3.45Å; P95-E99 PolarHBondContact O-N 3.02Å; E99-F102 WeakPolarHBondContact O-CB 3.31Å; E99-F102 PolarHBondContact O-N 3.45Å; E99-E103 WeakPolarHBondContact O-CG 3.44Å; E99-E103 PolarHBondContact O-N 3.2Å
100	T	72.1	Confident	70.3	Confident	83 Å²	83	74.5 Å²	74.5	51%	0.509	39%	0.386	S	S	.	.	H	α-helix	trans	-72.7	-27.5	175.9	44.7	0	0	0	0	113.8	E96 Q97 S104	E96-T100 PolarHBondContact O-N 3.23Å; E96-T100 VanDerWaalsContact O-N 3.1Å; E96-T100 PolarHBondContact O-OG1 3.35Å; Q97-T100 WeakPolarHBondContact CA-OG1 3.15Å; Q97-T100 PolarHBondContact O-OG1 3.45Å; T100-S104 PolarHBondContact O-N 3.25Å; T100-S104 PolarHBondContact O-OG 3.44Å
101	V	73.1	Confident	70.8	Confident	40 Å²	40	70.5 Å²	70.5	24%	0.242	38%	0.375	C	S	.	.	H	α-helix	trans	-69.9	-36.2	168.1	171.7	0	0	0	0	111.2	M84 Q97 L98 S104 L105	M84-V101 HydrophobicContact CE-CB 4.04Å; M84-V101 HydrophobicContact CE-CG1 3.88Å; Q97-V101 VanDerWaalsContact O-CG2 3.28Å; Q97-V101 WeakPolarHBondContact O-CG2 3.38Å; Q97-V101 PolarHBondContact O-N 2.76Å; L98-V101 PolarHBondContact O-N 3.25Å; V101-S104 WeakPolarHBondContact CA-OG 3.36Å; V101-S104 PolarHBondContact O-N 3.38Å; V101-S104 PolarHBondContact O-OG 3.13Å; V101-L105 HydrophobicContact CG1-CD1 4Å; V101-L105 VanDerWaalsContact O-CG 3.28Å; V101-L105 WeakPolarHBondContact O-CG 3.45Å; V101-L105 PolarHBondContact O-N 3.07Å
102	F	76.4	Confident	71.7	Confident	4 Å²	4	72.4 Å²	72.4	2%	0.018	38%	0.381	C	S	.	.	H	α-helix	trans	-63.5	-47.7	175	-168.4	-85.3	0	0	0	110.8	I79 T80 K81 M84 L98 E99 S104 L105 D106 L113	I79-F102 HydrophobicContact CG2-CE2 4.47Å; I79-F102 WeakPolarHBondContact O-CE2 3.23Å; T80-F102 VanDerWaalsContact C-CE2 3.43Å; K81-F102 HydrophobicContact CB-CD1 4Å; K81-F102 HydrophobicContact CB-CD2 4.33Å; K81-F102 HydrophobicContact CB-CE1 3.93Å; K81-F102 HydrophobicContact CB-CE2 4.26Å; K81-F102 HydrophobicContact CB-CG 4.21Å; K81-F102 HydrophobicContact CB-CZ 4.06Å; K81-F102 HydrophobicContact CD-CD1 4.29Å; K81-F102 HydrophobicContact CG-CD1 4.18Å; K81-F102 HydrophobicContact CG-CG 4.28Å; K81-F102 VanDerWaalsContact N-CE2 3.27Å; M84-F102 HydrophobicContact CB-CD2 4.24Å; M84-F102 HydrophobicContact CE-CB 3.81Å; M84-F102 HydrophobicContact CE-CD2 4.34Å; M84-F102 HydrophobicContact SD-CD2 4.09Å; L98-F102 PolarHBondContact O-N 2.98Å; E99-F102 WeakPolarHBondContact O-CB 3.31Å; E99-F102 PolarHBondContact O-N 3.45Å; F102-S104 VanDerWaalsContact C-N 3.26Å; F102-S104 PolarHBondContact O-N 2.89Å; F102-L105 PolarHBondContact O-N 3.45Å; F102-L105 VanDerWaalsContact O-N 3.12Å; F102-D106 HydrophobicContact CD1-CB 4.22Å; F102-D106 HydrophobicContact CE1-CB 3.98Å; F102-D106 WeakPolarHBondContact O-CB 3.44Å; F102-D106 PolarHBondContact O-N 3.25Å; F102-L113 HydrophobicContact CD2-CD1 3.61Å; F102-L113 HydrophobicContact CD2-CG 4.15Å; F102-L113 HydrophobicContact CE2-CB 4.46Å; F102-L113 HydrophobicContact CE2-CD1 3.56Å; F102-L113 HydrophobicContact CE2-CG 3.63Å; F102-L113 HydrophobicContact CG-CD1 4.32Å; F102-L113 HydrophobicContact CZ-CD1 4.24Å; F102-L113 HydrophobicContact CZ-CG 3.84Å
103	E	76.4	Confident	72.6	Confident	98 Å²	98	66.4 Å²	66.4	46%	0.458	34%	0.342	S	S	.	.	H	α-helix	trans	-70.4	-16.2	-177.9	-70.1	170.2	-178.6	0	0	114.3	K81 E99	K81-E103 IonicContact NZ-OE1 2.66Å; K81-E103 PolarHBondContact NZ-OE1 3.28Å; E99-E103 WeakPolarHBondContact O-CG 3.44Å; E99-E103 PolarHBondContact O-N 3.2Å
104	S	72.9	Confident	73	Confident	61 Å²	61	65.5 Å²	65.5	43%	0.427	34%	0.339	S	S	.	.	H	α-helix	trans	-92.6	-15.3	171.4	46.9	0	0	0	0	113.8	T100 V101 F102	T100-S104 PolarHBondContact O-N 3.25Å; T100-S104 PolarHBondContact O-OG 3.44Å; V101-S104 WeakPolarHBondContact CA-OG 3.36Å; V101-S104 PolarHBondContact O-N 3.38Å; V101-S104 PolarHBondContact O-OG 3.13Å; F102-S104 VanDerWaalsContact C-N 3.26Å; F102-S104 PolarHBondContact O-N 2.89Å
105	L	74.6	Confident	72.9	Confident	5 Å²	5	65.5 Å²	65.5	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-90.9	-34.8	170.3	-65.4	172.7	0	0	0	111.9	V101 F102 R107 L113 F118	V101-L105 HydrophobicContact CG1-CD1 4Å; V101-L105 VanDerWaalsContact O-CG 3.28Å; V101-L105 WeakPolarHBondContact O-CG 3.45Å; V101-L105 PolarHBondContact O-N 3.07Å; F102-L105 PolarHBondContact O-N 3.45Å; F102-L105 VanDerWaalsContact O-N 3.12Å; L105-R107 PolarHBondContact O-N 2.93Å; L105-L113 VanDerWaalsContact C-CD2 3.47Å; L105-L113 HydrophobicContact CB-CD1 3.82Å; L105-L113 HydrophobicContact CB-CD2 3.67Å; L105-L113 HydrophobicContact CB-CG 4.43Å; L105-L113 HydrophobicContact CD1-CD1 4.02Å; L105-F118 HydrophobicContact CD1-CD2 4.05Å; L105-F118 HydrophobicContact CD1-CE2 4.26Å
106	D	77.8	Confident	73	Confident	10 Å²	10	68.2 Å²	68.2	5%	0.053	35%	0.354	C	S	.	.			trans	-80.5	68.1	-178.9	-173.2	0.4	0	0	0	110.8	F102 E108 N109 N110 G111 L113	F102-D106 HydrophobicContact CD1-CB 4.22Å; F102-D106 HydrophobicContact CE1-CB 3.98Å; F102-D106 WeakPolarHBondContact O-CB 3.44Å; F102-D106 PolarHBondContact O-N 3.25Å; D106-E108 PolarHBondContact O-N 2.92Å; D106-N109 PolarHBondContact O-N 3.29Å; D106-N109 PolarHBondContact O-ND2 2.89Å; D106-N109 VanDerWaalsContact OD1-CA 3.23Å; D106-N109 WeakPolarHBondContact OD1-CA 3.4Å; D106-N109 PolarHBondContact OD1-N 3.45Å; D106-N110 PolarHBondContact OD1-N 3.01Å; D106-N110 PolarHBondContact OD2-N 3.26Å; D106-G111 VanDerWaalsContact OD2-CA 3.28Å; D106-G111 WeakPolarHBondContact OD2-CA 3.45Å; D106-G111 PolarHBondContact OD2-N 2.81Å; D106-L113 HydrophobicContact CB-CD2 3.83Å
107	R	68	Low	73.2	Confident	159 Å²	159	62.8 Å²	62.8	60%	0.6	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.7	-177.8	-69.8	-178.9	171.3	-179.4	-4.8	113	L105 E124	L105-R107 PolarHBondContact O-N 2.93Å; R107-E124 IonicContact CZ-OE1 2.7Å; R107-E124 IonicContact CZ-OE2 3.46Å; R107-E124 VanDerWaalsContact NH1-CD 3.29Å; R107-E124 IonicContact NH1-OE1 2.65Å; R107-E124 PolarHBondContact NH1-OE1 2.88Å; R107-E124 IonicContact NH1-OE2 3.53Å; R107-E124 PolarHBondContact NH1-OE2 3.06Å; R107-E124 IonicContact NH2-OE1 3.99Å; R107-E124 PolarHBondContact NH2-OE1 3.15Å; R107-E124 IonicContact NH2-OE2 3.51Å; R107-E124 PolarHBondContact NH2-OE2 3Å
108	E	68.4	Low	73.4	Confident	141 Å²	141	58.9 Å²	58.9	66%	0.659	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-13	176.8	-59.6	-165.1	157	0	0	113.3	D106 N110	D106-E108 PolarHBondContact O-N 2.92Å; E108-N110 HydrophobicContact CB-CB 4.06Å; E108-N110 PolarHBondContact O-N 3.44Å; E108-N110 PolarHBondContact OE2-ND2 3.45Å
109	N	68.6	Low	73.3	Confident	129 Å²	129	61.7 Å²	61.7	69%	0.69	32%	0.322	S	S	*	.			trans	52.8	35.7	-168.2	-71.7	-106.3	0	0	0	112.3	D106	D106-N109 PolarHBondContact O-N 3.29Å; D106-N109 PolarHBondContact O-ND2 2.89Å; D106-N109 VanDerWaalsContact OD1-CA 3.23Å; D106-N109 WeakPolarHBondContact OD1-CA 3.4Å; D106-N109 PolarHBondContact OD1-N 3.45Å
110	N	76.5	Confident	73.1	Confident	58 Å²	58	62.2 Å²	62.2	31%	0.31	33%	0.33	S	S	.	.			trans	-83.7	-17	-176.1	70.1	34.3	0	0	0	112.3	D106 E108 F112	D106-N110 PolarHBondContact OD1-N 3.01Å; D106-N110 PolarHBondContact OD2-N 3.26Å; E108-N110 HydrophobicContact CB-CB 4.06Å; E108-N110 PolarHBondContact O-N 3.44Å; E108-N110 PolarHBondContact OE2-ND2 3.45Å; N110-F112 VanDerWaalsContact O-CD2 3.23Å; N110-F112 WeakPolarHBondContact O-CD2 3.5Å; N110-F112 PolarHBondContact OD1-N 2.94Å; N110-F112 PolarHBondContact OD1-O 3.41Å; N110-F112 VanDerWaalsContact OD1-O 3.12Å
111	G	72.4	Confident	72.9	Confident	28 Å²	28	58.6 Å²	58.6	29%	0.289	31%	0.309	S	S	.	.	S	Bend	trans	90.4	0.6	177.3	0	0	0	0	0	115.5	D106	D106-G111 VanDerWaalsContact OD2-CA 3.28Å; D106-G111 WeakPolarHBondContact OD2-CA 3.45Å; D106-G111 PolarHBondContact OD2-N 2.81Å
112	F	79	Confident	72.7	Confident	103 Å²	103	58.6 Å²	58.6	45%	0.452	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	97.2	-169.6	-57.4	-85.8	0	0	0	112.1	F78 T80 N110 T114	F78-F112 HydrophobicContact CD2-CB 4.2Å; F78-F112 AromaticContact CD2-CD1 3.56Å; F78-F112 HydrophobicContact CD2-CD1 3.56Å; F78-F112 HydrophobicContact CD2-CE1 4.41Å; F78-F112 HydrophobicContact CD2-CG 4.3Å; F78-F112 AromaticContact CE2-CD1 3.51Å; F78-F112 HydrophobicContact CE2-CD1 3.51Å; F78-F112 AromaticContact CE2-CE1 3.91Å; F78-F112 HydrophobicContact CE2-CE1 3.91Å; F78-F112 HydrophobicContact CZ-CD1 4.46Å; T80-F112 HydrophobicContact CG2-CD1 3.72Å; T80-F112 HydrophobicContact CG2-CE1 3.73Å; N110-F112 VanDerWaalsContact O-CD2 3.23Å; N110-F112 WeakPolarHBondContact O-CD2 3.5Å; N110-F112 PolarHBondContact OD1-N 2.94Å; N110-F112 PolarHBondContact OD1-O 3.41Å; N110-F112 VanDerWaalsContact OD1-O 3.12Å; F112-T114 PolarHBondContact O-N 3.22Å
113	L	76.8	Confident	72.1	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	117.7	178.5	-63	174.1	0	0	0	111.4	F78 I79 F102 L105 D106 F118	F78-L113 CarbonylContact C-O 3.51Å; F78-L113 WeakPolarHBondContact CA-O 3.38Å; I79-L113 HydrophobicContact CB-CB 4.32Å; I79-L113 PolarHBondContact N-O 2.92Å; I79-L113 PolarHBondContact O-N 3.22Å; F102-L113 HydrophobicContact CD2-CD1 3.61Å; F102-L113 HydrophobicContact CD2-CG 4.15Å; F102-L113 HydrophobicContact CE2-CB 4.46Å; F102-L113 HydrophobicContact CE2-CD1 3.56Å; F102-L113 HydrophobicContact CE2-CG 3.63Å; F102-L113 HydrophobicContact CG-CD1 4.32Å; F102-L113 HydrophobicContact CZ-CD1 4.24Å; F102-L113 HydrophobicContact CZ-CG 3.84Å; L105-L113 VanDerWaalsContact C-CD2 3.47Å; L105-L113 HydrophobicContact CB-CD1 3.82Å; L105-L113 HydrophobicContact CB-CD2 3.67Å; L105-L113 HydrophobicContact CB-CG 4.43Å; L105-L113 HydrophobicContact CD1-CD1 4.02Å; D106-L113 HydrophobicContact CB-CD2 3.83Å; L113-F118 HydrophobicContact CD1-CD2 4.15Å
114	T	76.2	Confident	71.4	Confident	54 Å²	54	58.8 Å²	58.8	33%	0.331	31%	0.314	S	S	.	.			trans	-73.6	166.9	172.3	70.3	0	0	0	0	111.4	F112 V116 E117 F118	F112-T114 PolarHBondContact O-N 3.22Å; T114-V116 PolarHBondContact O-N 2.85Å; T114-V116 VanDerWaalsContact O-N 3.12Å; T114-V116 PolarHBondContact OG1-N 3.32Å; T114-E117 WeakPolarHBondContact CA-OE2 3.31Å; T114-E117 WeakPolarHBondContact CB-OE2 3.41Å; T114-E117 WeakPolarHBondContact CG2-OE2 3.45Å; T114-E117 PolarHBondContact N-OE2 3.01Å; T114-E117 PolarHBondContact OG1-N 2.95Å; T114-E117 PolarHBondContact OG1-OE2 3.35Å; T114-F118 WeakPolarHBondContact O-CB 3.39Å; T114-F118 PolarHBondContact O-N 2.81Å
115	P	70.7	Confident	70.7	Confident	42 Å²	42	60.8 Å²	60.8	27%	0.273	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-6.9	178.1	-11.3	26.9	0	0	0	113.4	F68 G77 K119	F68-P115 HydrophobicContact CD2-CB 4.46Å; F68-P115 HydrophobicContact CE1-CB 4.14Å; F68-P115 HydrophobicContact CE1-CG 3.99Å; F68-P115 VanDerWaalsContact CE2-CA 3.5Å; F68-P115 HydrophobicContact CE2-CB 3.97Å; F68-P115 HydrophobicContact CE2-CG 4.15Å; F68-P115 HydrophobicContact CZ-CB 3.8Å; F68-P115 HydrophobicContact CZ-CG 3.56Å; G77-P115 WeakPolarHBondContact O-CD 3.41Å; G77-P115 VanDerWaalsContact O-CG 3.23Å; G77-P115 WeakPolarHBondContact O-CG 3.49Å; P115-K119 WeakPolarHBondContact O-CD 3.46Å; P115-K119 VanDerWaalsContact O-CG 3.3Å; P115-K119 WeakPolarHBondContact O-CG 3.5Å; P115-K119 PolarHBondContact O-NZ 3.14Å
116	V	68.9	Low	69.7	Low	102 Å²	102	67 Å²	67	62%	0.618	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-56.2	176.2	-177.3	0	0	0	0	109.1	T114 F118 K119 T120	T114-V116 PolarHBondContact O-N 2.85Å; T114-V116 VanDerWaalsContact O-N 3.12Å; T114-V116 PolarHBondContact OG1-N 3.32Å; V116-F118 VanDerWaalsContact C-N 3.31Å; V116-F118 PolarHBondContact O-N 2.92Å; V116-K119 WeakPolarHBondContact O-CA 3.48Å; V116-K119 PolarHBondContact O-N 3.07Å; V116-T120 PolarHBondContact O-N 3.44Å; V116-T120 PolarHBondContact O-OG1 3.22Å
117	E	74	Confident	68.2	Low	37 Å²	37	69.7 Å²	69.7	17%	0.173	38%	0.38	C	S	.	.	H	α-helix	trans	-54.2	-45.3	178.6	-63.2	155.6	124.1	0	0	112.1	T114 K119 T120 G121	T114-E117 WeakPolarHBondContact CA-OE2 3.31Å; T114-E117 WeakPolarHBondContact CB-OE2 3.41Å; T114-E117 WeakPolarHBondContact CG2-OE2 3.45Å; T114-E117 PolarHBondContact N-OE2 3.01Å; T114-E117 PolarHBondContact OG1-N 2.95Å; T114-E117 PolarHBondContact OG1-OE2 3.35Å; E117-K119 PolarHBondContact O-N 2.87Å; E117-T120 PolarHBondContact O-N 3.17Å; E117-G121 PolarHBondContact O-N 3.04Å
118	F	74.9	Confident	67.2	Low	11 Å²	11	64.4 Å²	64.4	5%	0.048	37%	0.366	C	S	.	.	H	α-helix	trans	-61.2	-29.1	177.3	-176.1	-92	0	0	0	113.1	L67 F68 I79 M84 L105 L113 T114 V116 L122	L67-F118 HydrophobicContact CB-CE1 4.41Å; L67-F118 HydrophobicContact CB-CZ 4.39Å; F68-F118 HydrophobicContact CB-CD1 4.09Å; F68-F118 HydrophobicContact CB-CE1 4.11Å; F68-F118 HydrophobicContact CD2-CB 3.94Å; F68-F118 AromaticContact CD2-CD1 3.71Å; F68-F118 HydrophobicContact CD2-CD1 3.71Å; F68-F118 HydrophobicContact CD2-CE1 4.41Å; F68-F118 AromaticContact CD2-CG 3.85Å; F68-F118 HydrophobicContact CD2-CG 3.85Å; F68-F118 HydrophobicContact CE2-CB 4.2Å; F68-F118 HydrophobicContact CE2-CG 4.5Å; F68-F118 HydrophobicContact CG-CD1 4.41Å; I79-F118 HydrophobicContact CD1-CD2 3.83Å; I79-F118 HydrophobicContact CD1-CE2 4.02Å; I79-F118 HydrophobicContact CD1-CG 4.16Å; I79-F118 HydrophobicContact CD1-CZ 4.5Å; M84-F118 HydrophobicContact SD-CE2 4.43Å; L105-F118 HydrophobicContact CD1-CD2 4.05Å; L105-F118 HydrophobicContact CD1-CE2 4.26Å; L113-F118 HydrophobicContact CD1-CD2 4.15Å; T114-F118 WeakPolarHBondContact O-CB 3.39Å; T114-F118 PolarHBondContact O-N 2.81Å; V116-F118 VanDerWaalsContact C-N 3.31Å; V116-F118 PolarHBondContact O-N 2.92Å; F118-L122 HydrophobicContact CE1-CD2 4.09Å; F118-L122 HydrophobicContact CZ-CD2 4.25Å; F118-L122 WeakPolarHBondContact O-CB 3.38Å; F118-L122 PolarHBondContact O-N 3.3Å
119	K	66.5	Low	65.5	Low	65 Å²	65	64.4 Å²	64.4	28%	0.283	37%	0.37	S	S	.	.	H	α-helix	trans	-84.3	-45.7	178.1	-67.6	-175.6	-170.5	86.7	0	111.7	K65 P115 V116 E117 G123	K65-K119 HydrophobicContact CG-CD 4.4Å; K65-K119 VanDerWaalsContact CG-CE 3.49Å; P115-K119 WeakPolarHBondContact O-CD 3.46Å; P115-K119 VanDerWaalsContact O-CG 3.3Å; P115-K119 WeakPolarHBondContact O-CG 3.5Å; P115-K119 PolarHBondContact O-NZ 3.14Å; V116-K119 WeakPolarHBondContact O-CA 3.48Å; V116-K119 PolarHBondContact O-N 3.07Å; E117-K119 PolarHBondContact O-N 2.87Å; K119-G123 PolarHBondContact O-N 3.02Å
120	T	70.3	Confident	63.9	Low	77 Å²	77	65.1 Å²	65.1	47%	0.472	37%	0.369	S	S	.	.	H	α-helix	trans	-65.3	-53.6	-179.9	-53.8	0	0	0	0	110.4	V116 E117 L122 G123 E124	V116-T120 PolarHBondContact O-N 3.44Å; V116-T120 PolarHBondContact O-OG1 3.22Å; E117-T120 PolarHBondContact O-N 3.17Å; T120-L122 VanDerWaalsContact C-N 3.33Å; T120-L122 PolarHBondContact O-N 3.22Å; T120-G123 WeakPolarHBondContact O-CA 3.25Å; T120-G123 PolarHBondContact O-N 3.17Å; T120-E124 WeakPolarHBondContact O-CG 3.48Å; T120-E124 PolarHBondContact O-N 3.48Å
121	G	69.3	Low	62	Low	7 Å²	7	68.4 Å²	68.4	7%	0.072	39%	0.392	C	S	.	.	H	α-helix	trans	-63	-35.5	180	0	0	0	0	0	113.6	E117 E124 L125	E117-G121 PolarHBondContact O-N 3.04Å; G121-E124 WeakPolarHBondContact CA-OE2 3.39Å; G121-L125 WeakPolarHBondContact O-CB 2.96Å; G121-L125 PolarHBondContact O-N 3.3Å
122	L	67.8	Low	60.2	Low	39 Å²	39	71.1 Å²	71.1	20%	0.204	41%	0.412	C	S	.	.	H	α-helix	trans	-73.2	-29	174.2	-169.1	68.5	0	0	0	112.1	A64 F118 T120 M126	A64-L122 HydrophobicContact CB-CD2 4.04Å; F118-L122 HydrophobicContact CE1-CD2 4.09Å; F118-L122 HydrophobicContact CZ-CD2 4.25Å; F118-L122 WeakPolarHBondContact O-CB 3.38Å; F118-L122 PolarHBondContact O-N 3.3Å; T120-L122 VanDerWaalsContact C-N 3.33Å; T120-L122 PolarHBondContact O-N 3.22Å; L122-M126 VanDerWaalsContact O-CB 3.27Å; L122-M126 WeakPolarHBondContact O-CB 3.4Å; L122-M126 WeakPolarHBondContact O-CG 3.42Å; L122-M126 PolarHBondContact O-N 3.13Å; L122-M126 VanDerWaalsContact O-N 3.1Å
123	G	63.6	Low	58	Low	22 Å²	22	75 Å²	75	23%	0.227	43%	0.431	C	S	.	.	H	α-helix	trans	-66.5	-48	170.9	0	0	0	0	0	112.1	K119 T120 M126 G127 V128	K119-G123 PolarHBondContact O-N 3.02Å; T120-G123 WeakPolarHBondContact O-CA 3.25Å; T120-G123 PolarHBondContact O-N 3.17Å; G123-M126 CarbonylContact O-C 3.56Å; G123-M126 PolarHBondContact O-N 2.77Å; G123-G127 PolarHBondContact O-N 3.27Å; G123-V128 PolarHBondContact O-N 3.04Å
124	E	63.4	Low	55.9	Low	85 Å²	85	83.1 Å²	83.1	40%	0.397	47%	0.474	S	S	.	.	H	α-helix	trans	-62.3	-45.2	175.7	-66.8	167.9	96.3	0	0	111.6	R107 T120 G121 M126 G127	R107-E124 IonicContact CZ-OE1 2.7Å; R107-E124 IonicContact CZ-OE2 3.46Å; R107-E124 VanDerWaalsContact NH1-CD 3.29Å; R107-E124 IonicContact NH1-OE1 2.65Å; R107-E124 PolarHBondContact NH1-OE1 2.88Å; R107-E124 IonicContact NH1-OE2 3.53Å; R107-E124 PolarHBondContact NH1-OE2 3.06Å; R107-E124 IonicContact NH2-OE1 3.99Å; R107-E124 PolarHBondContact NH2-OE1 3.15Å; R107-E124 IonicContact NH2-OE2 3.51Å; R107-E124 PolarHBondContact NH2-OE2 3Å; T120-E124 WeakPolarHBondContact O-CG 3.48Å; T120-E124 PolarHBondContact O-N 3.48Å; G121-E124 WeakPolarHBondContact CA-OE2 3.39Å; E124-M126 PolarHBondContact O-N 3.22Å; E124-G127 PolarHBondContact O-N 3.21Å
125	L	57	Low	53.7	Low	103 Å²	103	86 Å²	86	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-64.2	-26.6	176.8	-171.9	65.6	0	0	0	112.8	G121 G127	G121-L125 WeakPolarHBondContact O-CB 2.96Å; G121-L125 PolarHBondContact O-N 3.3Å; L125-G127 VanDerWaalsContact C-N 3.33Å
126	M	53.4	Low	52.2	Low	134 Å²	134	89.9 Å²	89.9	66%	0.66	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	4.4	172.8	-71.4	-67.5	-60.6	0	0	113.5	L122 G123 E124	L122-M126 VanDerWaalsContact O-CB 3.27Å; L122-M126 WeakPolarHBondContact O-CB 3.4Å; L122-M126 WeakPolarHBondContact O-CG 3.42Å; L122-M126 PolarHBondContact O-N 3.13Å; L122-M126 VanDerWaalsContact O-N 3.1Å; G123-M126 CarbonylContact O-C 3.56Å; G123-M126 PolarHBondContact O-N 2.77Å; E124-M126 PolarHBondContact O-N 3.22Å
127	G	47.5	Very low	50.5	Low	67 Å²	67	93.6 Å²	93.6	69%	0.691	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	28.1	176.1	0	0	0	0	0	114.7	G123 E124 L125	G123-G127 PolarHBondContact O-N 3.27Å; E124-G127 PolarHBondContact O-N 3.21Å; L125-G127 VanDerWaalsContact C-N 3.33Å
128	V	46.3	Very low	48.7	Very low	49 Å²	49	95.2 Å²	95.2	30%	0.297	56%	0.564	S	S	.	*			trans	-96.5	94	176.4	-172.9	0	0	0	0	109.4	Q57 G123 E130	Q57-V128 HydrophobicContact CG-CG1 4.24Å; G123-V128 PolarHBondContact O-N 3.04Å; V128-E130 PolarHBondContact O-N 3.07Å
129	D	33	Very low	46.6	Very low	140 Å²	140	100.3 Å²	100.3	75%	0.749	60%	0.601	S	S	*	*			trans	-65.6	118.6	176.5	-117.2	-27.4	0	0	0	111.3
130	E	35.6	Very low	45	Very low	144 Å²	144	106.3 Å²	106.3	67%	0.673	63%	0.631	S	S	*	*			trans	-115.9	73.3	163.6	-77.3	-164.9	153.5	0	0	109.8	V128 A132	V128-E130 PolarHBondContact O-N 3.07Å; E130-A132 PolarHBondContact O-N 3.36Å
131	T	35.5	Very low	43.2	Very low	127 Å²	127	106.9 Å²	106.9	78%	0.779	64%	0.643	S	S	*	*			trans	-73.4	69.7	168.1	32.7	0	0	0	0	110.9
132	A	34.2	Very low	41.8	Very low	86 Å²	86	116 Å²	116	71%	0.711	68%	0.684	S	S	*	*			trans	-107.5	65.6	175.6	0	0	0	0	0	110.7	E130 L134	E130-A132 PolarHBondContact O-N 3.36Å; A132-L134 PolarHBondContact O-N 2.82Å
133	E	32.4	Very low	40.2	Very low	184 Å²	184	123.5 Å²	123.5	86%	0.86	71%	0.709	S	S	*	*			trans	-62.2	132.9	173.7	-72.7	-166	135	0	0	111.2	S135	E133-S135 PolarHBondContact O-N 3.5Å
134	L	34.5	Very low	38.9	Very low	170 Å²	170	129.4 Å²	129.4	89%	0.89	74%	0.736	S	S	*	*			trans	-64.4	115.8	176.6	-73	158	0	0	0	109.8	A132 P136	A132-L134 PolarHBondContact O-N 2.82Å; L134-P136 VanDerWaalsContact O-CD 3.24Å; L134-P136 WeakPolarHBondContact O-CD 3.47Å
135	S	28.9	Very low	37.7	Very low	116 Å²	116	132.5 Å²	132.5	81%	0.811	76%	0.755	S	S	*	*			trans	-69.6	118.6	175.2	-43.6	0	0	0	0	110.6	E133 D137	E133-S135 PolarHBondContact O-N 3.5Å; S135-D137 PolarHBondContact O-N 2.9Å
136	P	39.2	Very low	37.2	Very low	122 Å²	122	131 Å²	131	79%	0.792	75%	0.75	S	S	*	*			trans	-77	117.2	167.8	-7.3	26.5	0	0	0	108.3	L134 G138	L134-P136 VanDerWaalsContact O-CD 3.24Å; L134-P136 WeakPolarHBondContact O-CD 3.47Å; P136-G138 PolarHBondContact O-N 2.66Å
137	D	32.4	Very low	36.8	Very low	180 Å²	180	129.2 Å²	129.2	96%	0.963	74%	0.743	S	S	*	*	S	Bend	trans	-68.8	113.5	171.6	-171.8	20.8	0	0	0	108.9	S135	S135-D137 PolarHBondContact O-N 2.9Å
138	G	37.8	Very low	36.9	Very low	71 Å²	71	129.9 Å²	129.9	73%	0.732	73%	0.725	S	S	*	*			trans	155.2	46.2	-170.9	0	0	0	0	0	117.5	P136	P136-G138 PolarHBondContact O-N 2.66Å
139	S	30.9	Very low	37.2	Very low	118 Å²	118	131.8 Å²	131.8	83%	0.825	74%	0.74	S	S	*	*			trans	-134.5	132	155.7	55.7	0	0	0	0	110.4
140	E	32.2	Very low	38	Very low	192 Å²	192	133 Å²	133	90%	0.897	74%	0.742	S	S	*	*			trans	-69.3	134.8	-177.9	-61.9	-175	129.2	0	0	109.7	E142	E140-E142 PolarHBondContact O-N 2.79Å; E140-E142 VanDerWaalsContact O-N 3.09Å
141	A	32.5	Very low	39.1	Very low	89 Å²	89	129.4 Å²	129.4	74%	0.736	73%	0.727	S	S	*	*			trans	-71.5	104.7	168.3	0	0	0	0	0	108.3	R143	A141-R143 PolarHBondContact O-N 3.26Å
142	E	39.2	Very low	40.4	Very low	199 Å²	199	128 Å²	128	93%	0.93	72%	0.72	S	S	*	*			trans	-58.8	86.7	161.9	-70.9	-172.1	149.9	0	0	108.6	E140	E140-E142 PolarHBondContact O-N 2.79Å; E140-E142 VanDerWaalsContact O-N 3.09Å
143	R	35.1	Very low	41.8	Very low	196 Å²	196	126.3 Å²	126.3	74%	0.74	70%	0.701	S	S	*	*			trans	-75.9	135.4	157.6	-75.4	-174.9	170.2	-171.9	-2.2	106.9	A141 D145 D172	A141-R143 PolarHBondContact O-N 3.26Å; R143-D145 PolarHBondContact O-N 3.4Å; R143-D172 IonicContact NH1-OD1 2.68Å
144	D	35.5	Very low	43.3	Very low	146 Å²	146	117.6 Å²	117.6	78%	0.781	66%	0.66	S	S	*	*			trans	-45.7	109.3	-179.5	-58.7	-77.2	0	0	0	111.7	V146	D144-V146 HydrophobicContact CB-CG2 4.49Å; D144-V146 PolarHBondContact O-N 3.1Å
145	D	38.1	Very low	44.8	Very low	150 Å²	150	111.5 Å²	111.5	80%	0.802	63%	0.634	S	S	*	*			trans	-74.2	85.1	168.3	-165.3	33.2	0	0	0	107.1	R143 D147	R143-D145 PolarHBondContact O-N 3.4Å; D145-D147 PolarHBondContact O-N 3.1Å
146	V	46.9	Very low	46.6	Very low	72 Å²	72	114.5 Å²	114.5	44%	0.436	63%	0.628	S	S	.	*			trans	-56.9	112.7	179.8	176.4	0	0	0	0	107.9	D144 W148	D144-V146 HydrophobicContact CB-CG2 4.49Å; D144-V146 PolarHBondContact O-N 3.1Å; V146-W148 PolarHBondContact O-N 3.03Å; V146-W148 PolarHBondContact O-NE1 3.33Å
147	D	46.1	Very low	48.2	Very low	96 Å²	96	109.1 Å²	109.1	51%	0.513	59%	0.592	S	S	.	*			trans	-62.5	91.3	-176.6	174.5	21.5	0	0	0	111.8	D145 S149	D145-D147 PolarHBondContact O-N 3.1Å; D147-S149 PolarHBondContact O-N 3.07Å; D147-S149 VanDerWaalsContact O-N 3.1Å; D147-S149 WeakPolarHBondContact OD1-CB 3.28Å; D147-S149 PolarHBondContact OD1-N 2.85Å; D147-S149 VanDerWaalsContact OD1-N 3.09Å; D147-S149 PolarHBondContact OD1-OG 3.09Å; D147-S149 PolarHBondContact OD2-OG 3.23Å; D147-S149 VanDerWaalsContact OD2-OG 3.09Å
148	W	49.3	Very low	50	Low	81 Å²	81	103 Å²	103	31%	0.307	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-67.1	-4	179.6	-62.4	103.6	0	0	0	113.7	V146 Q150 D151 A154 Q174 F177	V146-W148 PolarHBondContact O-N 3.03Å; V146-W148 PolarHBondContact O-NE1 3.33Å; W148-Q150 PolarHBondContact O-N 3.37Å; W148-Q150 VanDerWaalsContact O-N 3.1Å; W148-D151 PolarHBondContact O-N 2.86Å; W148-A154 HydrophobicContact CB-CB 4.05Å; W148-A154 HydrophobicContact CD2-CB 4.29Å; W148-A154 HydrophobicContact CE3-CB 3.65Å; W148-A154 HydrophobicContact CG-CB 4.49Å; W148-A154 HydrophobicContact CZ3-CB 4.49Å; W148-Q174 HydrophobicContact CZ2-CG 4.14Å; W148-F177 HydrophobicContact CE3-CD1 4.46Å; W148-F177 HydrophobicContact CE3-CE1 4.21Å; W148-F177 AromaticContact CH2-CD1 3.73Å; W148-F177 HydrophobicContact CH2-CD1 3.73Å; W148-F177 HydrophobicContact CH2-CE1 4.11Å; W148-F177 AromaticContact CZ3-CD1 3.58Å; W148-F177 HydrophobicContact CZ3-CD1 3.58Å; W148-F177 AromaticContact CZ3-CE1 3.47Å; W148-F177 HydrophobicContact CZ3-CE1 3.47Å; W148-F177 VanDerWaalsContact CZ3-CE1 3.47Å; W148-F177 HydrophobicContact CZ3-CZ 4.34Å
149	S	51.4	Low	51.5	Low	89 Å²	89	103.5 Å²	103.5	62%	0.622	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-64.6	-15.5	-175.3	72	0	0	0	0	114.5	D147	D147-S149 PolarHBondContact O-N 3.07Å; D147-S149 VanDerWaalsContact O-N 3.1Å; D147-S149 WeakPolarHBondContact OD1-CB 3.28Å; D147-S149 PolarHBondContact OD1-N 2.85Å; D147-S149 VanDerWaalsContact OD1-N 3.09Å; D147-S149 PolarHBondContact OD1-OG 3.09Å; D147-S149 PolarHBondContact OD2-OG 3.23Å; D147-S149 VanDerWaalsContact OD2-OG 3.09Å
150	Q	50.8	Low	53.5	Low	166 Å²	166	100 Å²	100	78%	0.776	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-89	-12.1	-175.4	-58.6	-174.7	36.6	0	0	114.4	W148	W148-Q150 PolarHBondContact O-N 3.37Å; W148-Q150 VanDerWaalsContact O-N 3.1Å
151	D	58.6	Low	55.4	Low	68 Å²	68	91.4 Å²	91.4	36%	0.364	48%	0.479	S	S	.	.			trans	-110	114.8	174.6	-171.1	-21.2	0	0	0	111.4	W148 T153 A154 A155	W148-D151 PolarHBondContact O-N 2.86Å; D151-T153 PolarHBondContact O-N 3.35Å; D151-T153 WeakPolarHBondContact OD1-CA 3.43Å; D151-T153 WeakPolarHBondContact OD1-CB 3.19Å; D151-T153 PolarHBondContact OD1-N 3.02Å; D151-T153 PolarHBondContact OD1-OG1 2.86Å; D151-A154 HydrophobicContact CB-CB 3.98Å; D151-A154 PolarHBondContact O-N 2.83Å; D151-A154 VanDerWaalsContact O-N 3.13Å; D151-A155 PolarHBondContact O-N 3.26Å
152	P	62.6	Low	57.2	Low	98 Å²	98	92.7 Å²	92.7	64%	0.636	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-16.3	174.9	-25.3	35.2	0	0	0	115.4	R156	P152-R156 WeakPolarHBondContact O-CG 3.46Å
153	T	62.6	Low	58.7	Low	49 Å²	49	91 Å²	91	30%	0.301	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-46.4	176.6	-34.7	0	0	0	0	110.7	D151 A155 R156 F157	D151-T153 PolarHBondContact O-N 3.35Å; D151-T153 WeakPolarHBondContact OD1-CA 3.43Å; D151-T153 WeakPolarHBondContact OD1-CB 3.19Å; D151-T153 PolarHBondContact OD1-N 3.02Å; D151-T153 PolarHBondContact OD1-OG1 2.86Å; T153-A155 VanDerWaalsContact C-N 3.34Å; T153-A155 PolarHBondContact O-N 3.12Å; T153-R156 PolarHBondContact O-N 2.93Å; T153-R156 VanDerWaalsContact O-N 3.17Å; T153-F157 PolarHBondContact O-N 2.65Å
154	A	64.3	Low	60.3	Low	1 Å²	1	83.8 Å²	83.8	1%	0.008	44%	0.439	C	S	.	.	H	α-helix	trans	-62.4	-41.8	175	0	0	0	0	0	111.3	W148 D151 R156 F157 V158 F177	W148-A154 HydrophobicContact CB-CB 4.05Å; W148-A154 HydrophobicContact CD2-CB 4.29Å; W148-A154 HydrophobicContact CE3-CB 3.65Å; W148-A154 HydrophobicContact CG-CB 4.49Å; W148-A154 HydrophobicContact CZ3-CB 4.49Å; D151-A154 HydrophobicContact CB-CB 3.98Å; D151-A154 PolarHBondContact O-N 2.83Å; D151-A154 VanDerWaalsContact O-N 3.13Å; A154-R156 PolarHBondContact O-N 2.98Å; A154-F157 PolarHBondContact O-N 2.86Å; A154-F157 VanDerWaalsContact O-N 3.14Å; A154-V158 WeakPolarHBondContact O-CG2 3.48Å; A154-V158 PolarHBondContact O-N 2.73Å; A154-F177 HydrophobicContact CB-CE1 4.48Å; A154-F177 HydrophobicContact CB-CE2 4.05Å; A154-F177 HydrophobicContact CB-CZ 3.79Å
155	A	66.9	Low	61.8	Low	42 Å²	42	78.5 Å²	78.5	35%	0.347	42%	0.419	S	S	.	.	H	α-helix	trans	-57.5	-32.6	174.8	0	0	0	0	0	113.6	D151 T153 N159	D151-A155 PolarHBondContact O-N 3.26Å; T153-A155 VanDerWaalsContact C-N 3.34Å; T153-A155 PolarHBondContact O-N 3.12Å; A155-N159 WeakPolarHBondContact O-CB 3.23Å; A155-N159 PolarHBondContact O-N 3.22Å; A155-N159 VanDerWaalsContact O-N 3.07Å
156	R	67.3	Low	63.2	Low	179 Å²	179	71.5 Å²	71.5	68%	0.675	38%	0.382	S	S	*	.	H	α-helix	trans	-73.4	-44.5	174.5	-70.7	174.5	-174.6	-148.5	0.8	112	P152 T153 A154 N159 I160	P152-R156 WeakPolarHBondContact O-CG 3.46Å; T153-R156 PolarHBondContact O-N 2.93Å; T153-R156 VanDerWaalsContact O-N 3.17Å; A154-R156 PolarHBondContact O-N 2.98Å; R156-N159 PolarHBondContact O-N 2.76Å; R156-I160 WeakPolarHBondContact O-CG1 3.48Å; R156-I160 PolarHBondContact O-N 3Å
157	F	71.9	Confident	64	Low	9 Å²	9	70.3 Å²	70.3	4%	0.039	37%	0.373	C	S	.	.	H	α-helix	trans	-60.9	-45.3	177	176.6	-106.3	0	0	0	111.8	T153 A154 I160 L161 L176 F177 W180	T153-F157 PolarHBondContact O-N 2.65Å; A154-F157 PolarHBondContact O-N 2.86Å; A154-F157 VanDerWaalsContact O-N 3.14Å; F157-I160 PolarHBondContact O-N 3.17Å; F157-L161 HydrophobicContact CD1-CD1 3.63Å; F157-L161 HydrophobicContact CD2-CD1 4.09Å; F157-L161 HydrophobicContact CE1-CD1 3.2Å; F157-L161 HydrophobicContact CE2-CD1 3.71Å; F157-L161 HydrophobicContact CG-CD1 4.07Å; F157-L161 HydrophobicContact CZ-CD1 3.26Å; F157-L161 PolarHBondContact O-N 2.63Å; F157-L176 HydrophobicContact CE2-CD2 3.88Å; F157-L176 VanDerWaalsContact CZ-C 3.42Å; F157-L176 HydrophobicContact CZ-CB 4.07Å; F157-L176 HydrophobicContact CZ-CD2 3.71Å; F157-L176 HydrophobicContact CZ-CG 4.48Å; F157-F177 HydrophobicContact CB-CD2 3.93Å; F157-F177 HydrophobicContact CB-CE2 4.07Å; F157-F177 HydrophobicContact CD1-CB 3.97Å; F157-F177 AromaticContact CD1-CD2 3.43Å; F157-F177 HydrophobicContact CD1-CD2 3.43Å; F157-F177 VanDerWaalsContact CD1-CD2 3.43Å; F157-F177 HydrophobicContact CD1-CE2 4.32Å; F157-F177 HydrophobicContact CD1-CG 4.08Å; F157-F177 HydrophobicContact CD2-CD2 4.3Å; F157-F177 HydrophobicContact CE1-CB 3.52Å; F157-F177 AromaticContact CE1-CD2 3.9Å; F157-F177 HydrophobicContact CE1-CD2 3.9Å; F157-F177 HydrophobicContact CE1-CG 4.15Å; F157-F177 AromaticContact CG-CD2 3.64Å; F157-F177 HydrophobicContact CG-CD2 3.64Å; F157-F177 HydrophobicContact CG-CE2 4.29Å; F157-F177 VanDerWaalsContact CZ-CA 3.48Å; F157-F177 HydrophobicContact CZ-CB 3.97Å; F157-F177 HydrophobicContact CZ-CD2 4.49Å; F157-F177 VanDerWaalsContact CZ-N 3.34Å; F157-W180 HydrophobicContact CD2-CB 3.79Å; F157-W180 AromaticContact CD2-CD1 3.92Å; F157-W180 AromaticContact CD2-CD2 3.59Å; F157-W180 HydrophobicContact CD2-CD2 3.59Å; F157-W180 HydrophobicContact CD2-CE3 4Å; F157-W180 AromaticContact CD2-CG 3.48Å; F157-W180 HydrophobicContact CD2-CG 3.48Å; F157-W180 VanDerWaalsContact CD2-CG 3.48Å; F157-W180 HydrophobicContact CE2-CB 3.63Å; F157-W180 HydrophobicContact CE2-CD2 4Å; F157-W180 HydrophobicContact CE2-CE3 4.1Å; F157-W180 AromaticContact CE2-CG 3.82Å; F157-W180 HydrophobicContact CE2-CG 3.82Å; F157-W180 HydrophobicContact CG-CG 4.44Å
158	V	69.9	Low	64.9	Low	52 Å²	52	75 Å²	75	32%	0.315	39%	0.389	S	S	.	.	H	α-helix	trans	-63.3	-41.9	175	173.6	0	0	0	0	111.4	A154 I160 L161 M162	A154-V158 WeakPolarHBondContact O-CG2 3.48Å; A154-V158 PolarHBondContact O-N 2.73Å; V158-I160 VanDerWaalsContact C-N 3.34Å; V158-I160 PolarHBondContact O-N 3.04Å; V158-L161 PolarHBondContact O-N 3.09Å; V158-M162 VanDerWaalsContact O-CB 3.31Å; V158-M162 WeakPolarHBondContact O-CB 3.37Å; V158-M162 PolarHBondContact O-N 3.09Å
159	N	70.4	Confident	65.6	Low	82 Å²	82	74.7 Å²	74.7	44%	0.439	39%	0.391	S	S	.	.	H	α-helix	trans	-60.2	-41.8	173	-84.7	-5.1	0	0	0	112.4	A155 R156 M162 E163	A155-N159 WeakPolarHBondContact O-CB 3.23Å; A155-N159 PolarHBondContact O-N 3.22Å; A155-N159 VanDerWaalsContact O-N 3.07Å; R156-N159 PolarHBondContact O-N 2.76Å; N159-M162 PolarHBondContact O-N 3.38Å; N159-M162 WeakPolarHBondContact OD1-CE 3.37Å; N159-E163 WeakPolarHBondContact O-CB 3.39Å; N159-E163 WeakPolarHBondContact O-CG 3.09Å; N159-E163 PolarHBondContact O-N 2.98Å
160	I	71.3	Confident	66.5	Low	45 Å²	45	73.1 Å²	73.1	23%	0.231	37%	0.374	C	S	.	.	H	α-helix	trans	-65.2	-44.1	177	-68.3	165.3	0	0	0	110.7	R156 F157 V158 M162 E163 L164 W180	R156-I160 WeakPolarHBondContact O-CG1 3.48Å; R156-I160 PolarHBondContact O-N 3Å; F157-I160 PolarHBondContact O-N 3.17Å; V158-I160 VanDerWaalsContact C-N 3.34Å; V158-I160 PolarHBondContact O-N 3.04Å; I160-M162 VanDerWaalsContact C-N 3.27Å; I160-M162 PolarHBondContact O-N 2.77Å; I160-E163 PolarHBondContact O-N 2.89Å; I160-L164 HydrophobicContact CG2-CD1 3.9Å; I160-L164 HydrophobicContact CG2-CG 4.43Å; I160-L164 VanDerWaalsContact O-CB 3.32Å; I160-L164 WeakPolarHBondContact O-CB 3.32Å; I160-L164 WeakPolarHBondContact O-CG 3.5Å; I160-L164 PolarHBondContact O-N 3.4Å; I160-W180 HydrophobicContact CD1-CH2 3.72Å; I160-W180 HydrophobicContact CD1-CZ2 3.7Å
161	L	72.4	Confident	67.3	Low	11 Å²	11	74.5 Å²	74.5	6%	0.058	38%	0.377	C	S	.	.	H	α-helix	trans	-61.4	-32.7	172.6	-95.1	129.8	0	0	0	113.3	F157 V158 G165 A166 D167 F170	F157-L161 HydrophobicContact CD1-CD1 3.63Å; F157-L161 HydrophobicContact CD2-CD1 4.09Å; F157-L161 HydrophobicContact CE1-CD1 3.2Å; F157-L161 HydrophobicContact CE2-CD1 3.71Å; F157-L161 HydrophobicContact CG-CD1 4.07Å; F157-L161 HydrophobicContact CZ-CD1 3.26Å; F157-L161 PolarHBondContact O-N 2.63Å; V158-L161 PolarHBondContact O-N 3.09Å; L161-G165 PolarHBondContact O-N 3.39Å; L161-A166 HydrophobicContact CD2-CB 3.78Å; L161-A166 HydrophobicContact CG-CB 4.4Å; L161-A166 WeakPolarHBondContact O-CB 3.32Å; L161-A166 PolarHBondContact O-N 3.5Å; L161-D167 PolarHBondContact O-N 2.96Å; L161-F170 HydrophobicContact CD2-CD2 4.31Å
162	M	70.6	Confident	67.8	Low	116 Å²	116	75.4 Å²	75.4	57%	0.571	38%	0.382	S	S	*	.	H	α-helix	trans	-75.4	-44.2	176.9	-176.8	174	58.4	0	0	112	V158 N159 I160 L164 G165	V158-M162 VanDerWaalsContact O-CB 3.31Å; V158-M162 WeakPolarHBondContact O-CB 3.37Å; V158-M162 PolarHBondContact O-N 3.09Å; N159-M162 PolarHBondContact O-N 3.38Å; N159-M162 WeakPolarHBondContact OD1-CE 3.37Å; I160-M162 VanDerWaalsContact C-N 3.27Å; I160-M162 PolarHBondContact O-N 2.77Å; M162-L164 VanDerWaalsContact C-N 3.29Å; M162-L164 PolarHBondContact O-N 2.76Å; M162-G165 PolarHBondContact O-N 3.3Å
163	E	69.8	Low	68.1	Low	163 Å²	163	74.3 Å²	74.3	76%	0.762	37%	0.367	S	S	*	.	H	α-helix	trans	-63.4	-34.4	174.7	-74.8	-179	176.7	0	0	111.9	N159 I160 G165	N159-E163 WeakPolarHBondContact O-CB 3.39Å; N159-E163 WeakPolarHBondContact O-CG 3.09Å; N159-E163 PolarHBondContact O-N 2.98Å; I160-E163 PolarHBondContact O-N 2.89Å; E163-G165 VanDerWaalsContact C-N 3.27Å; E163-G165 PolarHBondContact O-N 3.31Å
164	L	69.2	Low	68.3	Low	45 Å²	45	77.5 Å²	77.5	24%	0.236	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.4	172.1	-66.6	176.3	0	0	0	113.8	I160 M162 A166 L198 V199 V202	I160-L164 HydrophobicContact CG2-CD1 3.9Å; I160-L164 HydrophobicContact CG2-CG 4.43Å; I160-L164 VanDerWaalsContact O-CB 3.32Å; I160-L164 WeakPolarHBondContact O-CB 3.32Å; I160-L164 WeakPolarHBondContact O-CG 3.5Å; I160-L164 PolarHBondContact O-N 3.4Å; M162-L164 VanDerWaalsContact C-N 3.29Å; M162-L164 PolarHBondContact O-N 2.76Å; L164-A166 HydrophobicContact CB-CB 4.12Å; L164-A166 PolarHBondContact O-N 3.05Å; L164-L198 HydrophobicContact CD1-CB 4.22Å; L164-V199 HydrophobicContact CD2-CB 4.45Å; L164-V199 HydrophobicContact CD2-CG2 3.39Å; L164-V202 WeakPolarHBondContact O-CG1 3.48Å
165	G	67.7	Low	68.7	Low	35 Å²	35	84.3 Å²	84.3	36%	0.361	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	19.2	-174.8	0	0	0	0	0	114.1	L161 M162 E163	L161-G165 PolarHBondContact O-N 3.39Å; M162-G165 PolarHBondContact O-N 3.3Å; E163-G165 VanDerWaalsContact C-N 3.27Å; E163-G165 PolarHBondContact O-N 3.31Å
166	A	67	Low	69	Low	2 Å²	2	83.6 Å²	83.6	2%	0.017	40%	0.4	C	S	.	.			trans	-90.5	-17.6	-172.2	0	0	0	0	0	113.5	L161 L164 K168 M169 F170 V202	L161-A166 HydrophobicContact CD2-CB 3.78Å; L161-A166 HydrophobicContact CG-CB 4.4Å; L161-A166 WeakPolarHBondContact O-CB 3.32Å; L161-A166 PolarHBondContact O-N 3.5Å; L164-A166 HydrophobicContact CB-CB 4.12Å; L164-A166 PolarHBondContact O-N 3.05Å; A166-K168 PolarHBondContact O-N 3.1Å; A166-M169 PolarHBondContact O-N 3.1Å; A166-F170 HydrophobicContact CB-CD2 4.19Å; A166-F170 HydrophobicContact CB-CE2 4.03Å; A166-V202 HydrophobicContact CB-CG1 4.36Å; A166-V202 HydrophobicContact CB-CG2 3.7Å
167	D	64.2	Low	69.2	Low	47 Å²	47	76.2 Å²	76.2	25%	0.251	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-26	-173.7	179.8	67.9	0	0	0	115.6	L161 K173	L161-D167 PolarHBondContact O-N 2.96Å; D167-K173 VanDerWaalsContact CG-NZ 3.3Å; D167-K173 WeakPolarHBondContact O-CE 3.12Å; D167-K173 PolarHBondContact O-NZ 2.93Å; D167-K173 IonicContact OD1-NZ 3.26Å; D167-K173 PolarHBondContact OD1-NZ 3.03Å; D167-K173 IonicContact OD2-NZ 3.47Å; D167-K173 PolarHBondContact OD2-NZ 3.45Å
168	K	65	Low	69.3	Low	194 Å²	194	79.6 Å²	79.6	84%	0.843	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	2.3	178.1	-61	-169.5	177.9	-170.7	0	114.6	A166	A166-K168 PolarHBondContact O-N 3.1Å
169	M	64.8	Low	69.6	Low	75 Å²	75	80.8 Å²	80.8	37%	0.369	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-30	-174.3	-59	-63.8	176.4	0	0	112.9	A166 Q206 I209	A166-M169 PolarHBondContact O-N 3.1Å; M169-Q206 HydrophobicContact CE-CG 4.33Å; M169-I209 HydrophobicContact CE-CD1 3.82Å; M169-I209 HydrophobicContact SD-CD1 3.62Å
170	F	69	Low	69.8	Low	56 Å²	56	77.3 Å²	77.3	25%	0.246	38%	0.38	C	S	.	.			trans	-103.6	122.7	-179.8	-62.6	-75.2	0	0	0	110.9	L161 A166 L176 L198 V202	L161-F170 HydrophobicContact CD2-CD2 4.31Å; A166-F170 HydrophobicContact CB-CD2 4.19Å; A166-F170 HydrophobicContact CB-CE2 4.03Å; F170-L176 HydrophobicContact CB-CD1 4.43Å; F170-L176 HydrophobicContact CD1-CD1 4.19Å; F170-L176 HydrophobicContact CD2-CD1 4.17Å; F170-L176 HydrophobicContact CG-CD1 4Å; F170-L198 HydrophobicContact CE2-CD2 4.39Å; F170-L198 HydrophobicContact CZ-CD2 4.28Å; F170-V202 HydrophobicContact CE2-CG2 3.77Å; F170-V202 HydrophobicContact CZ-CG2 4.15Å
171	K	68.5	Low	69.9	Low	195 Å²	195	77.3 Å²	77.3	85%	0.848	38%	0.383	S	S	*	.	S	Bend	trans	-73	-44.5	179.9	-65.9	-171.6	176	-171.7	0	112	K173	K171-K173 PolarHBondContact O-N 3.37Å
172	D	68.3	Low	69.9	Low	88 Å²	88	81.6 Å²	81.6	47%	0.471	40%	0.403	S	S	.	.			trans	-99.6	63	-171.9	-55	-75.1	0	0	0	111.1	R143 Q174 E175	R143-D172 IonicContact NH1-OD1 2.68Å; D172-Q174 PolarHBondContact O-N 2.81Å; D172-E175 PolarHBondContact O-N 3.27Å
173	K	68.4	Low	70	Confident	74 Å²	74	77.6 Å²	77.6	32%	0.322	38%	0.384	S	S	.	.	H	α-helix	trans	-52.5	-28.2	-179.9	-58.6	-174.5	-175.3	-172.4	0	113.4	D167 K171 F177	D167-K173 VanDerWaalsContact CG-NZ 3.3Å; D167-K173 WeakPolarHBondContact O-CE 3.12Å; D167-K173 PolarHBondContact O-NZ 2.93Å; D167-K173 IonicContact OD1-NZ 3.26Å; D167-K173 PolarHBondContact OD1-NZ 3.03Å; D167-K173 IonicContact OD2-NZ 3.47Å; D167-K173 PolarHBondContact OD2-NZ 3.45Å; K171-K173 PolarHBondContact O-N 3.37Å; K173-F177 PolarHBondContact O-N 3.29Å
174	Q	67.8	Low	70.3	Confident	117 Å²	117	74.1 Å²	74.1	55%	0.547	37%	0.368	S	S	.	.	H	α-helix	trans	-65	-44.8	-178.7	-69	177.8	-3.2	0	0	112.8	W148 D172 L176 F177 T178	W148-Q174 HydrophobicContact CZ2-CG 4.14Å; D172-Q174 PolarHBondContact O-N 2.81Å; Q174-L176 VanDerWaalsContact C-N 3.31Å; Q174-L176 PolarHBondContact O-N 3.22Å; Q174-F177 PolarHBondContact O-N 2.99Å; Q174-T178 PolarHBondContact O-N 2.71Å; Q174-T178 PolarHBondContact O-OG1 2.81Å
175	E	71.6	Confident	70.4	Confident	143 Å²	143	79.9 Å²	79.9	67%	0.668	39%	0.386	S	S	*	.	H	α-helix	trans	-66.4	-37.4	179.9	-61.1	-170	161.6	0	0	111.5	D172 F177 T178 L179	D172-E175 PolarHBondContact O-N 3.27Å; E175-F177 VanDerWaalsContact C-N 3.34Å; E175-T178 WeakPolarHBondContact CA-OG1 3.13Å; E175-T178 PolarHBondContact O-N 3.27Å; E175-T178 PolarHBondContact O-OG1 3.45Å; E175-L179 WeakPolarHBondContact O-CB 3.22Å; E175-L179 PolarHBondContact O-N 2.91Å
176	L	73.7	Confident	70.7	Confident	27 Å²	27	83.2 Å²	83.2	14%	0.141	40%	0.396	C	S	.	.	H	α-helix	trans	-68.6	-35.6	177.7	-140.9	163.2	0	0	0	110.6	F157 F170 Q174 W180 L198	F157-L176 HydrophobicContact CE2-CD2 3.88Å; F157-L176 VanDerWaalsContact CZ-C 3.42Å; F157-L176 HydrophobicContact CZ-CB 4.07Å; F157-L176 HydrophobicContact CZ-CD2 3.71Å; F157-L176 HydrophobicContact CZ-CG 4.48Å; F170-L176 HydrophobicContact CB-CD1 4.43Å; F170-L176 HydrophobicContact CD1-CD1 4.19Å; F170-L176 HydrophobicContact CD2-CD1 4.17Å; F170-L176 HydrophobicContact CG-CD1 4Å; Q174-L176 VanDerWaalsContact C-N 3.31Å; Q174-L176 PolarHBondContact O-N 3.22Å; L176-W180 WeakPolarHBondContact O-CB 3.46Å; L176-W180 PolarHBondContact O-N 2.99Å; L176-W180 VanDerWaalsContact O-N 3.08Å; L176-L198 HydrophobicContact CD1-CD2 4.24Å; L176-L198 HydrophobicContact CD2-CD1 4.11Å; L176-L198 HydrophobicContact CD2-CD2 4.29Å
177	F	71.3	Confident	70.9	Confident	25 Å²	25	85 Å²	85	11%	0.11	41%	0.408	C	S	.	.	H	α-helix	trans	-69.9	-41.1	172.8	-176.9	-121.7	0	0	0	112.8	W148 A154 F157 K173 Q174 E175 W180 C181	W148-F177 HydrophobicContact CE3-CD1 4.46Å; W148-F177 HydrophobicContact CE3-CE1 4.21Å; W148-F177 AromaticContact CH2-CD1 3.73Å; W148-F177 HydrophobicContact CH2-CD1 3.73Å; W148-F177 HydrophobicContact CH2-CE1 4.11Å; W148-F177 AromaticContact CZ3-CD1 3.58Å; W148-F177 HydrophobicContact CZ3-CD1 3.58Å; W148-F177 AromaticContact CZ3-CE1 3.47Å; W148-F177 HydrophobicContact CZ3-CE1 3.47Å; W148-F177 VanDerWaalsContact CZ3-CE1 3.47Å; W148-F177 HydrophobicContact CZ3-CZ 4.34Å; A154-F177 HydrophobicContact CB-CE1 4.48Å; A154-F177 HydrophobicContact CB-CE2 4.05Å; A154-F177 HydrophobicContact CB-CZ 3.79Å; F157-F177 HydrophobicContact CB-CD2 3.93Å; F157-F177 HydrophobicContact CB-CE2 4.07Å; F157-F177 HydrophobicContact CD1-CB 3.97Å; F157-F177 AromaticContact CD1-CD2 3.43Å; F157-F177 HydrophobicContact CD1-CD2 3.43Å; F157-F177 VanDerWaalsContact CD1-CD2 3.43Å; F157-F177 HydrophobicContact CD1-CE2 4.32Å; F157-F177 HydrophobicContact CD1-CG 4.08Å; F157-F177 HydrophobicContact CD2-CD2 4.3Å; F157-F177 HydrophobicContact CE1-CB 3.52Å; F157-F177 AromaticContact CE1-CD2 3.9Å; F157-F177 HydrophobicContact CE1-CD2 3.9Å; F157-F177 HydrophobicContact CE1-CG 4.15Å; F157-F177 AromaticContact CG-CD2 3.64Å; F157-F177 HydrophobicContact CG-CD2 3.64Å; F157-F177 HydrophobicContact CG-CE2 4.29Å; F157-F177 VanDerWaalsContact CZ-CA 3.48Å; F157-F177 HydrophobicContact CZ-CB 3.97Å; F157-F177 HydrophobicContact CZ-CD2 4.49Å; F157-F177 VanDerWaalsContact CZ-N 3.34Å; K173-F177 PolarHBondContact O-N 3.29Å; Q174-F177 PolarHBondContact O-N 2.99Å; E175-F177 VanDerWaalsContact C-N 3.34Å; F177-W180 WeakPolarHBondContact O-CB 3.39Å; F177-W180 PolarHBondContact O-N 3.15Å; F177-C181 VanDerWaalsContact CE2-SG 3.56Å; F177-C181 VanDerWaalsContact CZ-SG 3.58Å; F177-C181 PolarHBondContact O-N 3.33Å; F177-C181 PolarHBondContact O-SG 3.22Å
178	T	74.9	Confident	71.2	Confident	80 Å²	80	87.1 Å²	87.1	49%	0.491	43%	0.425	S	S	.	.	H	α-helix	trans	-64.4	-43.2	176.3	50	0	0	0	0	111.3	Q174 E175 W180 C181 E182	Q174-T178 PolarHBondContact O-N 2.71Å; Q174-T178 PolarHBondContact O-OG1 2.81Å; E175-T178 WeakPolarHBondContact CA-OG1 3.13Å; E175-T178 PolarHBondContact O-N 3.27Å; E175-T178 PolarHBondContact O-OG1 3.45Å; T178-W180 VanDerWaalsContact C-N 3.33Å; T178-W180 PolarHBondContact O-N 2.91Å; T178-C181 PolarHBondContact O-N 3.33Å; T178-E182 WeakPolarHBondContact O-CG 3.32Å; T178-E182 PolarHBondContact O-N 2.79Å
179	L	74.9	Confident	71.6	Confident	76 Å²	76	86.9 Å²	86.9	40%	0.398	43%	0.426	S	S	.	.	H	α-helix	trans	-59.8	-41.3	175	-179.4	63.6	0	0	0	112.3	E175 E182 L183	E175-L179 WeakPolarHBondContact O-CB 3.22Å; E175-L179 PolarHBondContact O-N 2.91Å; L179-E182 PolarHBondContact O-N 2.94Å; L179-L183 HydrophobicContact CD1-CD1 3.67Å; L179-L183 HydrophobicContact CG-CD1 4.12Å; L179-L183 WeakPolarHBondContact O-CD1 3.33Å; L179-L183 PolarHBondContact O-N 3.08Å
180	W	75.9	Confident	72	Confident	10 Å²	10	88 Å²	88	4%	0.038	43%	0.433	C	S	.	.	H	α-helix	trans	-60.8	-48.4	175.6	-179.5	-85.5	0	0	0	112.1	F157 I160 L176 F177 T178 E182 L183 Q184 L191 L194 E195	F157-W180 HydrophobicContact CD2-CB 3.79Å; F157-W180 AromaticContact CD2-CD1 3.92Å; F157-W180 AromaticContact CD2-CD2 3.59Å; F157-W180 HydrophobicContact CD2-CD2 3.59Å; F157-W180 HydrophobicContact CD2-CE3 4Å; F157-W180 AromaticContact CD2-CG 3.48Å; F157-W180 HydrophobicContact CD2-CG 3.48Å; F157-W180 VanDerWaalsContact CD2-CG 3.48Å; F157-W180 HydrophobicContact CE2-CB 3.63Å; F157-W180 HydrophobicContact CE2-CD2 4Å; F157-W180 HydrophobicContact CE2-CE3 4.1Å; F157-W180 AromaticContact CE2-CG 3.82Å; F157-W180 HydrophobicContact CE2-CG 3.82Å; F157-W180 HydrophobicContact CG-CG 4.44Å; I160-W180 HydrophobicContact CD1-CH2 3.72Å; I160-W180 HydrophobicContact CD1-CZ2 3.7Å; L176-W180 WeakPolarHBondContact O-CB 3.46Å; L176-W180 PolarHBondContact O-N 2.99Å; L176-W180 VanDerWaalsContact O-N 3.08Å; F177-W180 WeakPolarHBondContact O-CB 3.39Å; F177-W180 PolarHBondContact O-N 3.15Å; T178-W180 VanDerWaalsContact C-N 3.33Å; T178-W180 PolarHBondContact O-N 2.91Å; W180-E182 VanDerWaalsContact C-N 3.33Å; W180-E182 PolarHBondContact O-N 3.07Å; W180-L183 PolarHBondContact O-N 3.29Å; W180-Q184 VanDerWaalsContact O-CB 3.3Å; W180-Q184 WeakPolarHBondContact O-CB 3.41Å; W180-Q184 PolarHBondContact O-N 3.36Å; W180-L191 HydrophobicContact CD2-CD1 3.86Å; W180-L191 HydrophobicContact CE3-CD1 3.87Å; W180-L191 HydrophobicContact CE3-CG 4.45Å; W180-L191 HydrophobicContact CH2-CD1 4.04Å; W180-L191 HydrophobicContact CH2-CD2 3.89Å; W180-L191 HydrophobicContact CH2-CG 3.81Å; W180-L191 HydrophobicContact CZ2-CD1 4.04Å; W180-L191 HydrophobicContact CZ2-CD2 3.74Å; W180-L191 HydrophobicContact CZ2-CG 4.04Å; W180-L191 HydrophobicContact CZ3-CD1 3.96Å; W180-L191 HydrophobicContact CZ3-CG 4.03Å; W180-L194 HydrophobicContact CE3-CD2 4.04Å; W180-E195 HydrophobicContact CH2-CG 3.98Å; W180-E195 WeakPolarHBondContact CH2-OE1 3.5Å; W180-E195 HydrophobicContact CZ3-CG 3.93Å
181	C	72.2	Confident	72.3	Confident	45 Å²	45	86.7 Å²	86.7	30%	0.304	43%	0.429	S	S	.	.	H	α-helix	trans	-64	-35.1	178.1	-73.5	0	0	0	0	112.9	F177 T178 R185	F177-C181 VanDerWaalsContact CE2-SG 3.56Å; F177-C181 VanDerWaalsContact CZ-SG 3.58Å; F177-C181 PolarHBondContact O-N 3.33Å; F177-C181 PolarHBondContact O-SG 3.22Å; T178-C181 PolarHBondContact O-N 3.33Å; C181-R185 PolarHBondContact O-N 3.49Å
182	E	73.4	Confident	72.5	Confident	101 Å²	101	79.3 Å²	79.3	47%	0.472	41%	0.408	S	S	.	.	H	α-helix	trans	-70.7	-45.6	174.9	-71.4	-173.4	151.3	0	0	112.3	T178 L179 W180 Q184 R185 D186	T178-E182 WeakPolarHBondContact O-CG 3.32Å; T178-E182 PolarHBondContact O-N 2.79Å; L179-E182 PolarHBondContact O-N 2.94Å; W180-E182 VanDerWaalsContact C-N 3.33Å; W180-E182 PolarHBondContact O-N 3.07Å; E182-Q184 VanDerWaalsContact C-N 3.33Å; E182-Q184 PolarHBondContact O-N 3.23Å; E182-R185 PolarHBondContact O-N 3.11Å; E182-D186 PolarHBondContact O-N 3.29Å
183	L	73.3	Confident	73.1	Confident	31 Å²	31	77.5 Å²	77.5	16%	0.162	41%	0.405	C	S	.	.	H	α-helix	trans	-58.8	-44.1	173.1	-101.2	79.3	0	0	0	111.8	L179 W180 R185 D186 S187 L190 L191 L194	L179-L183 HydrophobicContact CD1-CD1 3.67Å; L179-L183 HydrophobicContact CG-CD1 4.12Å; L179-L183 WeakPolarHBondContact O-CD1 3.33Å; L179-L183 PolarHBondContact O-N 3.08Å; W180-L183 PolarHBondContact O-N 3.29Å; L183-R185 PolarHBondContact O-N 2.98Å; L183-D186 PolarHBondContact O-N 3.03Å; L183-S187 CarbonylContact O-C 3.59Å; L183-S187 PolarHBondContact O-N 2.99Å; L183-L190 HydrophobicContact CD2-CB 3.9Å; L183-L191 HydrophobicContact CB-CD1 4.14Å; L183-L194 HydrophobicContact CD2-CB 4.1Å; L183-L194 HydrophobicContact CD2-CD2 4.1Å
184	Q	74.8	Confident	73.5	Confident	91 Å²	91	75.2 Å²	75.2	43%	0.425	40%	0.396	S	S	.	.	H	α-helix	trans	-64	-29.2	-179.4	-172	175.6	-1.5	0	0	112.7	W180 E182	W180-Q184 VanDerWaalsContact O-CB 3.3Å; W180-Q184 WeakPolarHBondContact O-CB 3.41Å; W180-Q184 PolarHBondContact O-N 3.36Å; E182-Q184 VanDerWaalsContact C-N 3.33Å; E182-Q184 PolarHBondContact O-N 3.23Å
185	R	72.5	Confident	74	Confident	165 Å²	165	73.2 Å²	73.2	62%	0.623	39%	0.387	S	S	*	.	H	α-helix	trans	-80.4	-46.1	175.7	-170.9	-172.8	68.3	-141.7	-8.6	112.5	C181 E182 L183	C181-R185 PolarHBondContact O-N 3.49Å; E182-R185 PolarHBondContact O-N 3.11Å; L183-R185 PolarHBondContact O-N 2.98Å
186	D	73.8	Confident	74.3	Confident	106 Å²	106	70 Å²	70	57%	0.567	38%	0.38	S	S	*	.	H	α-helix	trans	-105	-21.3	-163.1	-63.6	-16.2	0	0	0	114.2	E182 L183	E182-D186 PolarHBondContact O-N 3.29Å; L183-D186 PolarHBondContact O-N 3.03Å
187	S	70.8	Confident	74.8	Confident	40 Å²	40	74 Å²	74	28%	0.28	40%	0.401	S	S	.	.			trans	-159.6	73.2	-178.3	50.8	0	0	0	0	113.8	L183 E189 L190	L183-S187 CarbonylContact O-C 3.59Å; L183-S187 PolarHBondContact O-N 2.99Å; S187-E189 PolarHBondContact O-N 3.33Å; S187-L190 PolarHBondContact O-N 3.26Å
188	P	70.8	Confident	75.2	Confident	91 Å²	91	73.7 Å²	73.7	59%	0.591	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-62.3	-21.3	-173.5	25.2	-35.5	0	0	0	114.7	L190 L191	P188-L190 VanDerWaalsContact C-N 3.26Å; P188-L190 PolarHBondContact O-N 3.17Å; P188-L191 WeakPolarHBondContact O-CB 3.32Å; P188-L191 PolarHBondContact O-N 3.13Å
189	E	72.3	Confident	75.6	Confident	189 Å²	189	73.6 Å²	73.6	88%	0.883	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-66.3	-25.3	175.2	-62.7	-177.9	-179.2	0	0	113.1	S187	S187-E189 PolarHBondContact O-N 3.33Å
190	L	73.7	Confident	76.1	Confident	98 Å²	98	75.5 Å²	75.5	51%	0.513	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-84.8	-10.4	179.3	-67.1	177.2	0	0	0	113.4	L183 S187 P188 G192 A193 L194	L183-L190 HydrophobicContact CD2-CB 3.9Å; S187-L190 PolarHBondContact O-N 3.26Å; P188-L190 VanDerWaalsContact C-N 3.26Å; P188-L190 PolarHBondContact O-N 3.17Å; L190-G192 PolarHBondContact O-N 3.02Å; L190-A193 WeakPolarHBondContact O-CB 3.48Å; L190-A193 PolarHBondContact O-N 2.88Å; L190-A193 VanDerWaalsContact O-N 3.07Å; L190-L194 PolarHBondContact O-N 3.38Å
191	L	74.7	Confident	76.5	Confident	29 Å²	29	76.5 Å²	76.5	15%	0.152	42%	0.416	C	S	.	.	H	α-helix	trans	-60.6	-45.6	-178.6	-158.3	76.4	0	0	0	111.5	W180 L183 P188 A193 L194 E195	W180-L191 HydrophobicContact CD2-CD1 3.86Å; W180-L191 HydrophobicContact CE3-CD1 3.87Å; W180-L191 HydrophobicContact CE3-CG 4.45Å; W180-L191 HydrophobicContact CH2-CD1 4.04Å; W180-L191 HydrophobicContact CH2-CD2 3.89Å; W180-L191 HydrophobicContact CH2-CG 3.81Å; W180-L191 HydrophobicContact CZ2-CD1 4.04Å; W180-L191 HydrophobicContact CZ2-CD2 3.74Å; W180-L191 HydrophobicContact CZ2-CG 4.04Å; W180-L191 HydrophobicContact CZ3-CD1 3.96Å; W180-L191 HydrophobicContact CZ3-CG 4.03Å; L183-L191 HydrophobicContact CB-CD1 4.14Å; P188-L191 WeakPolarHBondContact O-CB 3.32Å; P188-L191 PolarHBondContact O-N 3.13Å; L191-A193 PolarHBondContact O-N 2.85Å; L191-L194 WeakPolarHBondContact O-CB 3.4Å; L191-L194 PolarHBondContact O-N 2.59Å; L191-L194 VanDerWaalsContact O-N 3.14Å; L191-E195 WeakPolarHBondContact O-CG 3.5Å; L191-E195 PolarHBondContact O-N 2.93Å
192	G	74.3	Confident	77.1	Confident	39 Å²	39	74.5 Å²	74.5	40%	0.402	40%	0.403	S	S	.	.	H	α-helix	trans	-66	-24.1	175.6	0	0	0	0	0	114	L190 S196	L190-G192 PolarHBondContact O-N 3.02Å; G192-S196 WeakPolarHBondContact O-CB 3.45Å; G192-S196 PolarHBondContact O-N 3.1Å; G192-S196 PolarHBondContact O-OG 3.12Å
193	A	79.3	Confident	77.6	Confident	51 Å²	51	72 Å²	72	42%	0.421	40%	0.397	S	S	.	.	H	α-helix	trans	-72.7	-43.2	171.7	0	0	0	0	0	111	L190 L191 S196 L197	L190-A193 WeakPolarHBondContact O-CB 3.48Å; L190-A193 PolarHBondContact O-N 2.88Å; L190-A193 VanDerWaalsContact O-N 3.07Å; L191-A193 PolarHBondContact O-N 2.85Å; A193-S196 PolarHBondContact O-N 3.28Å; A193-S196 PolarHBondContact O-OG 3.42Å; A193-L197 WeakPolarHBondContact O-CB 3.45Å; A193-L197 PolarHBondContact O-N 3.12Å
194	L	78.2	Confident	78.3	Confident	26 Å²	26	74.1 Å²	74.1	14%	0.136	41%	0.408	C	S	.	.	H	α-helix	trans	-60.1	-46.5	172.2	177.8	61.7	0	0	0	111.6	W180 L183 L190 L191 S196 L197 L198	W180-L194 HydrophobicContact CE3-CD2 4.04Å; L183-L194 HydrophobicContact CD2-CB 4.1Å; L183-L194 HydrophobicContact CD2-CD2 4.1Å; L190-L194 PolarHBondContact O-N 3.38Å; L191-L194 WeakPolarHBondContact O-CB 3.4Å; L191-L194 PolarHBondContact O-N 2.59Å; L191-L194 VanDerWaalsContact O-N 3.14Å; L194-S196 PolarHBondContact O-N 3.42Å; L194-L197 PolarHBondContact O-N 3.01Å; L194-L198 HydrophobicContact CD1-CD1 4.17Å; L194-L198 HydrophobicContact CD1-CG 4.27Å; L194-L198 HydrophobicContact CG-CD1 4.02Å; L194-L198 VanDerWaalsContact O-CG 3.31Å; L194-L198 WeakPolarHBondContact O-CG 3.44Å; L194-L198 PolarHBondContact O-N 2.95Å
195	E	77.8	Confident	78.8	Confident	74 Å²	74	73.5 Å²	73.5	35%	0.346	41%	0.407	S	S	.	.	H	α-helix	trans	-54.5	-50	172.7	-70.7	169.8	-179.8	0	0	111.3	W180 L191 L197 L198 V199	W180-E195 HydrophobicContact CH2-CG 3.98Å; W180-E195 WeakPolarHBondContact CH2-OE1 3.5Å; W180-E195 HydrophobicContact CZ3-CG 3.93Å; L191-E195 WeakPolarHBondContact O-CG 3.5Å; L191-E195 PolarHBondContact O-N 2.93Å; E195-L197 VanDerWaalsContact C-N 3.31Å; E195-L197 PolarHBondContact O-N 2.9Å; E195-L198 PolarHBondContact O-N 3.01Å; E195-V199 VanDerWaalsContact O-CG2 3.3Å; E195-V199 WeakPolarHBondContact O-CG2 3.28Å; E195-V199 PolarHBondContact O-N 3.31Å
196	S	77.8	Confident	79.5	Confident	75 Å²	75	68.6 Å²	68.6	52%	0.524	39%	0.391	S	S	.	.	H	α-helix	trans	-63.3	-34.3	-179.7	75.1	0	0	0	0	113.5	G192 A193 L194 H200	G192-S196 WeakPolarHBondContact O-CB 3.45Å; G192-S196 PolarHBondContact O-N 3.1Å; G192-S196 PolarHBondContact O-OG 3.12Å; A193-S196 PolarHBondContact O-N 3.28Å; A193-S196 PolarHBondContact O-OG 3.42Å; L194-S196 PolarHBondContact O-N 3.42Å; S196-H200 PolarHBondContact O-N 3.22Å; S196-H200 VanDerWaalsContact O-N 3.15Å
197	L	83.5	Confident	80.2	Confident	113 Å²	113	66.3 Å²	66.3	59%	0.592	38%	0.379	S	S	*	.	H	α-helix	trans	-71.4	-40.9	175.3	-170.2	150.9	0	0	0	111.2	A193 L194 E195 H200 A201	A193-L197 WeakPolarHBondContact O-CB 3.45Å; A193-L197 PolarHBondContact O-N 3.12Å; L194-L197 PolarHBondContact O-N 3.01Å; E195-L197 VanDerWaalsContact C-N 3.31Å; E195-L197 PolarHBondContact O-N 2.9Å; L197-H200 PolarHBondContact O-N 3.5Å; L197-A201 VanDerWaalsContact O-CB 3.23Å; L197-A201 WeakPolarHBondContact O-CB 3.14Å; L197-A201 PolarHBondContact O-N 2.9Å
198	L	80.4	Confident	81.1	Confident	18 Å²	18	67 Å²	67	9%	0.094	39%	0.387	C	S	.	.	H	α-helix	trans	-63.5	-44.6	174.4	-70.3	167.9	0	0	0	111.4	L164 F170 L176 L194 E195 H200 A201 V202	L164-L198 HydrophobicContact CD1-CB 4.22Å; F170-L198 HydrophobicContact CE2-CD2 4.39Å; F170-L198 HydrophobicContact CZ-CD2 4.28Å; L176-L198 HydrophobicContact CD1-CD2 4.24Å; L176-L198 HydrophobicContact CD2-CD1 4.11Å; L176-L198 HydrophobicContact CD2-CD2 4.29Å; L194-L198 HydrophobicContact CD1-CD1 4.17Å; L194-L198 HydrophobicContact CD1-CG 4.27Å; L194-L198 HydrophobicContact CG-CD1 4.02Å; L194-L198 VanDerWaalsContact O-CG 3.31Å; L194-L198 WeakPolarHBondContact O-CG 3.44Å; L194-L198 PolarHBondContact O-N 2.95Å; E195-L198 PolarHBondContact O-N 3.01Å; L198-H200 VanDerWaalsContact C-N 3.34Å; L198-H200 PolarHBondContact O-N 3Å; L198-A201 PolarHBondContact O-N 2.84Å; L198-V202 VanDerWaalsContact O-CB 3.26Å; L198-V202 WeakPolarHBondContact O-CB 3.41Å; L198-V202 WeakPolarHBondContact O-CG2 3.35Å; L198-V202 PolarHBondContact O-N 2.88Å
199	V	82.8	Confident	82	Confident	77 Å²	77	65.1 Å²	65.1	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-52.6	-51.4	172.6	170.2	0	0	0	0	110.8	L164 E195 S203	L164-V199 HydrophobicContact CD2-CB 4.45Å; L164-V199 HydrophobicContact CD2-CG2 3.39Å; E195-V199 VanDerWaalsContact O-CG2 3.3Å; E195-V199 WeakPolarHBondContact O-CG2 3.28Å; E195-V199 PolarHBondContact O-N 3.31Å; V199-S203 PolarHBondContact O-N 2.99Å
200	H	85.1	Confident	82.9	Confident	117 Å²	117	61.9 Å²	61.9	54%	0.542	35%	0.351	S	S	.	.	H	α-helix	trans	-70.9	-42.3	-176.5	-172.8	46.4	0	0	0	112.7	S196 L197 L198 V202 S203 N204	S196-H200 PolarHBondContact O-N 3.22Å; S196-H200 VanDerWaalsContact O-N 3.15Å; L197-H200 PolarHBondContact O-N 3.5Å; L198-H200 VanDerWaalsContact C-N 3.34Å; L198-H200 PolarHBondContact O-N 3Å; H200-V202 PolarHBondContact O-N 3.49Å; H200-S203 PolarHBondContact O-N 2.88Å; H200-N204 PolarHBondContact CE1-ND2 3.43Å; H200-N204 PolarHBondContact CE1-OD1 3.29Å; H200-N204 PolarHBondContact NE2-ND2 3.08Å; H200-N204 WeakPolarHBondContact O-CB 3.49Å; H200-N204 PolarHBondContact O-N 3.27Å; H200-N204 PolarHBondContact O-ND2 2.89Å; H200-N204 PolarHBondContact O-OD1 2.79Å
201	A	84.4	Confident	83.8	Confident	30 Å²	30	63.5 Å²	63.5	25%	0.248	36%	0.356	C	S	.	.	H	α-helix	trans	-62	-42.2	176.7	0	0	0	0	0	111.8	L197 L198 N204 L205	L197-A201 VanDerWaalsContact O-CB 3.23Å; L197-A201 WeakPolarHBondContact O-CB 3.14Å; L197-A201 PolarHBondContact O-N 2.9Å; L198-A201 PolarHBondContact O-N 2.84Å; A201-N204 PolarHBondContact O-N 3.2Å; A201-L205 WeakPolarHBondContact O-CB 3.25Å; A201-L205 VanDerWaalsContact O-CG 3.26Å; A201-L205 WeakPolarHBondContact O-CG 3.45Å; A201-L205 PolarHBondContact O-N 2.87Å
202	V	84.7	Confident	84.8	Confident	3 Å²	3	69 Å²	69	2%	0.018	38%	0.375	C	S	.	.	H	α-helix	trans	-71.1	-37.3	178.7	176	0	0	0	0	111.3	L164 A166 F170 L198 H200 L205 Q206	L164-V202 WeakPolarHBondContact O-CG1 3.48Å; A166-V202 HydrophobicContact CB-CG1 4.36Å; A166-V202 HydrophobicContact CB-CG2 3.7Å; F170-V202 HydrophobicContact CE2-CG2 3.77Å; F170-V202 HydrophobicContact CZ-CG2 4.15Å; L198-V202 VanDerWaalsContact O-CB 3.26Å; L198-V202 WeakPolarHBondContact O-CB 3.41Å; L198-V202 WeakPolarHBondContact O-CG2 3.35Å; L198-V202 PolarHBondContact O-N 2.88Å; H200-V202 PolarHBondContact O-N 3.49Å; V202-L205 PolarHBondContact O-N 3.13Å; V202-Q206 HydrophobicContact CG1-CG 4.36Å; V202-Q206 WeakPolarHBondContact O-CB 3.43Å; V202-Q206 VanDerWaalsContact O-CG 3.28Å; V202-Q206 WeakPolarHBondContact O-CG 3.26Å; V202-Q206 PolarHBondContact O-N 2.96Å
203	S	84.8	Confident	85.7	Confident	50 Å²	50	69.6 Å²	69.6	35%	0.35	37%	0.369	S	S	.	.	H	α-helix	trans	-57.3	-55.7	169.7	-169.8	0	0	0	0	110.7	V199 H200 L205 Q206 D207	V199-S203 PolarHBondContact O-N 2.99Å; H200-S203 PolarHBondContact O-N 2.88Å; S203-L205 VanDerWaalsContact C-N 3.27Å; S203-L205 PolarHBondContact O-N 3.23Å; S203-Q206 CarbonylContact O-C 3.16Å; S203-Q206 PolarHBondContact O-N 2.66Å; S203-D207 WeakPolarHBondContact O-CB 3.22Å; S203-D207 PolarHBondContact O-N 3.04Å; S203-D207 PolarHBondContact OG-OD2 3.2Å
204	N	87.3	Confident	86.5	Confident	75 Å²	75	71.1 Å²	71.1	40%	0.401	37%	0.373	S	S	.	.	H	α-helix	trans	-59.4	-36.7	-177.9	-63.2	-15	0	0	0	112.3	H200 A201 A208	H200-N204 PolarHBondContact CE1-ND2 3.43Å; H200-N204 PolarHBondContact CE1-OD1 3.29Å; H200-N204 PolarHBondContact NE2-ND2 3.08Å; H200-N204 WeakPolarHBondContact O-CB 3.49Å; H200-N204 PolarHBondContact O-N 3.27Å; H200-N204 PolarHBondContact O-ND2 2.89Å; H200-N204 PolarHBondContact O-OD1 2.79Å; A201-N204 PolarHBondContact O-N 3.2Å; N204-A208 WeakPolarHBondContact O-CB 3.47Å; N204-A208 PolarHBondContact O-N 2.9Å
205	L	86.2	Confident	87.4	Confident	77 Å²	77	75.3 Å²	75.3	40%	0.403	40%	0.395	S	S	.	.	H	α-helix	trans	-68.5	-43.5	174.3	-76	169	0	0	0	112.2	A201 V202 S203 D207 A208 I209	A201-L205 WeakPolarHBondContact O-CB 3.25Å; A201-L205 VanDerWaalsContact O-CG 3.26Å; A201-L205 WeakPolarHBondContact O-CG 3.45Å; A201-L205 PolarHBondContact O-N 2.87Å; V202-L205 PolarHBondContact O-N 3.13Å; S203-L205 VanDerWaalsContact C-N 3.27Å; S203-L205 PolarHBondContact O-N 3.23Å; L205-D207 VanDerWaalsContact C-N 3.32Å; L205-A208 PolarHBondContact O-N 2.78Å; L205-I209 WeakPolarHBondContact O-CB 3.41Å; L205-I209 WeakPolarHBondContact O-CD1 3.45Å; L205-I209 VanDerWaalsContact O-CG1 3.23Å; L205-I209 WeakPolarHBondContact O-CG1 3.22Å; L205-I209 PolarHBondContact O-N 2.74Å
206	Q	86.3	Confident	88.2	Confident	62 Å²	62	76.6 Å²	76.6	29%	0.29	40%	0.401	S	S	.	.	H	α-helix	trans	-65.6	-35.9	174.6	-70.6	179.1	20.4	0	0	112.1	M169 V202 S203 I209 R210	M169-Q206 HydrophobicContact CE-CG 4.33Å; V202-Q206 HydrophobicContact CG1-CG 4.36Å; V202-Q206 WeakPolarHBondContact O-CB 3.43Å; V202-Q206 VanDerWaalsContact O-CG 3.28Å; V202-Q206 WeakPolarHBondContact O-CG 3.26Å; V202-Q206 PolarHBondContact O-N 2.96Å; S203-Q206 CarbonylContact O-C 3.16Å; S203-Q206 PolarHBondContact O-N 2.66Å; Q206-I209 PolarHBondContact O-N 3Å; Q206-R210 VanDerWaalsContact CB-NH2 3.31Å; Q206-R210 WeakPolarHBondContact O-CB 3.34Å; Q206-R210 VanDerWaalsContact O-CG 3.31Å; Q206-R210 WeakPolarHBondContact O-CG 3.28Å; Q206-R210 PolarHBondContact O-N 3.17Å; Q206-R210 PolarHBondContact O-NE 2.96Å
207	D	89.6	Confident	89.1	Confident	59 Å²	59	77.4 Å²	77.4	32%	0.316	40%	0.397	S	S	.	.	H	α-helix	trans	-64	-48.3	175.5	-62.4	-33.5	0	0	0	109.9	S203 L205 I209 R210 E211	S203-D207 WeakPolarHBondContact O-CB 3.22Å; S203-D207 PolarHBondContact O-N 3.04Å; S203-D207 PolarHBondContact OG-OD2 3.2Å; L205-D207 VanDerWaalsContact C-N 3.32Å; D207-I209 PolarHBondContact O-N 2.68Å; D207-R210 PolarHBondContact O-N 3.41Å; D207-R210 IonicContact OD1-CZ 2.82Å; D207-R210 VanDerWaalsContact OD1-CZ 3.26Å; D207-R210 IonicContact OD1-NH1 3.24Å; D207-R210 PolarHBondContact OD1-NH1 2.95Å; D207-R210 IonicContact OD1-NH2 2.7Å; D207-R210 PolarHBondContact OD1-NH2 3.09Å; D207-E211 PolarHBondContact O-N 2.97Å
208	A	89.6	Confident	89.7	Confident	54 Å²	54	74.2 Å²	74.2	45%	0.446	39%	0.387	S	S	.	.	H	α-helix	trans	-63.5	-35.2	175	0	0	0	0	0	113.8	N204 L205 R212	N204-A208 WeakPolarHBondContact O-CB 3.47Å; N204-A208 PolarHBondContact O-N 2.9Å; L205-A208 PolarHBondContact O-N 2.78Å; A208-R212 WeakPolarHBondContact O-CB 3.36Å; A208-R212 PolarHBondContact O-N 3.43Å
209	I	88.4	Confident	90.4	Very high	51 Å²	51	79.2 Å²	79.2	26%	0.262	41%	0.413	S	S	.	.	H	α-helix	trans	-65.3	-45.7	172.3	-72.5	163.4	0	0	0	110.2	M169 L205 Q206 D207 E211 R212 D213	M169-I209 HydrophobicContact CE-CD1 3.82Å; M169-I209 HydrophobicContact SD-CD1 3.62Å; L205-I209 WeakPolarHBondContact O-CB 3.41Å; L205-I209 WeakPolarHBondContact O-CD1 3.45Å; L205-I209 VanDerWaalsContact O-CG1 3.23Å; L205-I209 WeakPolarHBondContact O-CG1 3.22Å; L205-I209 PolarHBondContact O-N 2.74Å; Q206-I209 PolarHBondContact O-N 3Å; D207-I209 PolarHBondContact O-N 2.68Å; I209-E211 VanDerWaalsContact C-N 3.34Å; I209-E211 PolarHBondContact O-N 3.24Å; I209-R212 WeakPolarHBondContact O-CB 3.48Å; I209-R212 PolarHBondContact O-N 3.15Å; I209-D213 WeakPolarHBondContact O-CB 3.25Å; I209-D213 PolarHBondContact O-N 3.17Å; I209-D213 VanDerWaalsContact O-OD1 3.13Å
210	R	91.4	Very high	91	Very high	121 Å²	121	80.2 Å²	80.2	46%	0.457	42%	0.415	S	S	.	.	H	α-helix	trans	-64.1	-37.4	177.2	-73.2	-177.4	-104.5	104.1	-2.9	111.8	Q206 D207 T214	Q206-R210 VanDerWaalsContact CB-NH2 3.31Å; Q206-R210 WeakPolarHBondContact O-CB 3.34Å; Q206-R210 VanDerWaalsContact O-CG 3.31Å; Q206-R210 WeakPolarHBondContact O-CG 3.28Å; Q206-R210 PolarHBondContact O-N 3.17Å; Q206-R210 PolarHBondContact O-NE 2.96Å; D207-R210 PolarHBondContact O-N 3.41Å; D207-R210 IonicContact OD1-CZ 2.82Å; D207-R210 VanDerWaalsContact OD1-CZ 3.26Å; D207-R210 IonicContact OD1-NH1 3.24Å; D207-R210 PolarHBondContact OD1-NH1 2.95Å; D207-R210 IonicContact OD1-NH2 2.7Å; D207-R210 PolarHBondContact OD1-NH2 3.09Å; R210-T214 WeakPolarHBondContact O-CG2 3.26Å; R210-T214 PolarHBondContact O-N 2.8Å; R210-T214 VanDerWaalsContact O-N 3.07Å; R210-T214 PolarHBondContact O-OG1 3.22Å
211	E	94.1	Very high	91.5	Very high	132 Å²	132	81 Å²	81	62%	0.617	41%	0.413	S	S	*	.	H	α-helix	trans	-62.3	-49.7	170.6	-73.6	-171.1	166.7	0	0	112.1	D207 I209 D213 T214 L215	D207-E211 PolarHBondContact O-N 2.97Å; I209-E211 VanDerWaalsContact C-N 3.34Å; I209-E211 PolarHBondContact O-N 3.24Å; E211-D213 VanDerWaalsContact C-N 3.34Å; E211-D213 PolarHBondContact O-N 3.4Å; E211-T214 PolarHBondContact O-N 2.69Å; E211-T214 PolarHBondContact O-OG1 3.25Å; E211-L215 WeakPolarHBondContact O-CG 3.37Å; E211-L215 PolarHBondContact O-N 2.88Å
212	R	94.2	Very high	92.1	Very high	145 Å²	145	88.7 Å²	88.7	55%	0.547	44%	0.436	S	S	.	.	H	α-helix	trans	-52.7	-51.3	174.4	179.9	-159.1	68	177.2	0.1	111.5	A208 I209 T214 L215 E216	A208-R212 WeakPolarHBondContact O-CB 3.36Å; A208-R212 PolarHBondContact O-N 3.43Å; I209-R212 WeakPolarHBondContact O-CB 3.48Å; I209-R212 PolarHBondContact O-N 3.15Å; R212-T214 VanDerWaalsContact C-N 3.3Å; R212-T214 PolarHBondContact O-N 2.83Å; R212-L215 PolarHBondContact O-N 3Å; R212-L215 VanDerWaalsContact O-N 3.13Å; R212-E216 WeakPolarHBondContact O-CB 3.34Å; R212-E216 PolarHBondContact O-N 2.85Å
213	D	94.7	Very high	92.5	Very high	52 Å²	52	94.1 Å²	94.1	28%	0.278	46%	0.461	S	S	.	.	H	α-helix	trans	-64.3	-35.6	-175.4	-63.6	-2.6	0	0	0	111.4	I209 E211 Q217	I209-D213 WeakPolarHBondContact O-CB 3.25Å; I209-D213 PolarHBondContact O-N 3.17Å; I209-D213 VanDerWaalsContact O-OD1 3.13Å; E211-D213 VanDerWaalsContact C-N 3.34Å; E211-D213 PolarHBondContact O-N 3.4Å; D213-Q217 WeakPolarHBondContact O-CB 3.38Å; D213-Q217 VanDerWaalsContact O-CG 3.25Å; D213-Q217 WeakPolarHBondContact O-CG 3.35Å; D213-Q217 PolarHBondContact O-N 3.21Å; D213-Q217 VanDerWaalsContact O-N 3.07Å
214	T	96.1	Very high	93.1	Very high	82 Å²	82	94 Å²	94	50%	0.503	46%	0.46	S	S	.	.	H	α-helix	trans	-71.3	-35.9	173.9	57.4	0	0	0	0	113.2	R210 E211 R212 A218	R210-T214 WeakPolarHBondContact O-CG2 3.26Å; R210-T214 PolarHBondContact O-N 2.8Å; R210-T214 VanDerWaalsContact O-N 3.07Å; R210-T214 PolarHBondContact O-OG1 3.22Å; E211-T214 PolarHBondContact O-N 2.69Å; E211-T214 PolarHBondContact O-OG1 3.25Å; R212-T214 VanDerWaalsContact C-N 3.3Å; R212-T214 PolarHBondContact O-N 2.83Å; T214-A218 WeakPolarHBondContact O-CB 3.46Å; T214-A218 PolarHBondContact O-N 3.04Å
215	L	96.1	Very high	93.5	Very high	114 Å²	114	96 Å²	96	60%	0.597	47%	0.467	S	S	*	.	H	α-helix	trans	-68.2	-42.6	174.4	-71.4	170.7	0	0	0	111.8	E211 R212 A218 L219	E211-L215 WeakPolarHBondContact O-CG 3.37Å; E211-L215 PolarHBondContact O-N 2.88Å; R212-L215 PolarHBondContact O-N 3Å; R212-L215 VanDerWaalsContact O-N 3.13Å; L215-A218 CarbonylContact O-C 3.58Å; L215-A218 WeakPolarHBondContact O-CA 3.38Å; L215-A218 WeakPolarHBondContact O-CB 3.45Å; L215-A218 PolarHBondContact O-N 3.19Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 3.44Å
216	E	95.6	Very high	94	Very high	101 Å²	101	97.9 Å²	97.9	47%	0.472	47%	0.474	S	S	.	.	H	α-helix	trans	-60.9	-47.9	176	-176.2	171.1	-167.6	0	0	111	R212 A218 L219 L220	R212-E216 WeakPolarHBondContact O-CB 3.34Å; R212-E216 PolarHBondContact O-N 2.85Å; E216-A218 VanDerWaalsContact C-N 3.26Å; E216-A218 PolarHBondContact O-N 3.31Å; E216-L219 PolarHBondContact O-N 3.23Å; E216-L220 HydrophobicContact CG-CD1 4.25Å; E216-L220 WeakPolarHBondContact O-CG 3.49Å; E216-L220 PolarHBondContact O-N 3.22Å
217	Q	95.9	Very high	94.4	Very high	93 Å²	93	98.6 Å²	98.6	44%	0.435	48%	0.479	S	S	.	.	H	α-helix	trans	-62.6	-30	172	-68.5	175.6	28.4	0	0	113.2	D213 R221	D213-Q217 WeakPolarHBondContact O-CB 3.38Å; D213-Q217 VanDerWaalsContact O-CG 3.25Å; D213-Q217 WeakPolarHBondContact O-CG 3.35Å; D213-Q217 PolarHBondContact O-N 3.21Å; D213-Q217 VanDerWaalsContact O-N 3.07Å; Q217-R221 VanDerWaalsContact C-NH1 3.33Å; Q217-R221 VanDerWaalsContact CB-NH1 3.31Å; Q217-R221 WeakPolarHBondContact O-CB 3.43Å; Q217-R221 WeakPolarHBondContact O-CG 3.43Å; Q217-R221 PolarHBondContact O-N 2.64Å; Q217-R221 VanDerWaalsContact O-N 3.12Å; Q217-R221 PolarHBondContact O-NH1 3.32Å
218	A	95.6	Very high	94.7	Very high	46 Å²	46	100.8 Å²	100.8	38%	0.38	49%	0.486	S	S	.	.	H	α-helix	trans	-72.8	-36.6	175.9	0	0	0	0	0	112.1	T214 L215 E216 R222	T214-A218 WeakPolarHBondContact O-CB 3.46Å; T214-A218 PolarHBondContact O-N 3.04Å; L215-A218 CarbonylContact O-C 3.58Å; L215-A218 WeakPolarHBondContact O-CA 3.38Å; L215-A218 WeakPolarHBondContact O-CB 3.45Å; L215-A218 PolarHBondContact O-N 3.19Å; E216-A218 VanDerWaalsContact C-N 3.26Å; E216-A218 PolarHBondContact O-N 3.31Å; A218-R222 PolarHBondContact O-N 3.04Å; A218-R222 VanDerWaalsContact O-N 3.15Å
219	L	94.7	Very high	95.1	Very high	123 Å²	123	104 Å²	104	64%	0.644	49%	0.493	S	S	*	.	H	α-helix	trans	-64.9	-51.5	172.1	-70.6	171.8	0	0	0	111.1	L215 E216 R221 R222 E223	L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 3.44Å; E216-L219 PolarHBondContact O-N 3.23Å; L219-R221 VanDerWaalsContact C-N 3.27Å; L219-R221 PolarHBondContact O-N 2.87Å; L219-R222 CarbonylContact O-C 3.5Å; L219-R222 WeakPolarHBondContact O-CA 3.38Å; L219-R222 WeakPolarHBondContact O-CB 3.4Å; L219-R222 PolarHBondContact O-N 3.11Å; L219-E223 WeakPolarHBondContact O-CB 3.26Å; L219-E223 PolarHBondContact O-N 3.43Å
220	L	95.7	Very high	95.5	Very high	97 Å²	97	103.9 Å²	103.9	51%	0.508	50%	0.495	S	S	.	.	H	α-helix	trans	-59.1	-35.2	178.5	-69.9	168.6	0	0	0	112.9	E216 S224	E216-L220 HydrophobicContact CG-CD1 4.25Å; E216-L220 WeakPolarHBondContact O-CG 3.49Å; E216-L220 PolarHBondContact O-N 3.22Å; L220-S224 VanDerWaalsContact O-CB 3.23Å; L220-S224 WeakPolarHBondContact O-CB 3.24Å; L220-S224 PolarHBondContact O-N 3.45Å
221	R	96.3	Very high	95.7	Very high	135 Å²	135	103.8 Å²	103.8	51%	0.509	49%	0.494	S	S	.	.	H	α-helix	trans	-63.6	-48.2	171.1	-75.5	171.8	-162.9	111.4	4.3	111.4	Q217 L219 S224 E225	Q217-R221 VanDerWaalsContact C-NH1 3.33Å; Q217-R221 VanDerWaalsContact CB-NH1 3.31Å; Q217-R221 WeakPolarHBondContact O-CB 3.43Å; Q217-R221 WeakPolarHBondContact O-CG 3.43Å; Q217-R221 PolarHBondContact O-N 2.64Å; Q217-R221 VanDerWaalsContact O-N 3.12Å; Q217-R221 PolarHBondContact O-NH1 3.32Å; L219-R221 VanDerWaalsContact C-N 3.27Å; L219-R221 PolarHBondContact O-N 2.87Å; R221-S224 PolarHBondContact O-N 2.97Å; R221-E225 WeakPolarHBondContact O-CB 3.46Å; R221-E225 VanDerWaalsContact O-CG 3.28Å; R221-E225 WeakPolarHBondContact O-CG 3.39Å; R221-E225 PolarHBondContact O-N 3.31Å
222	R	96.3	Very high	95.8	Very high	190 Å²	190	99.9 Å²	99.9	72%	0.717	48%	0.482	S	S	*	.	H	α-helix	trans	-65.2	-38.6	179.6	-105.7	-172.4	171.9	-178.7	-1.3	113.6	A218 L219 E225 H226	A218-R222 PolarHBondContact O-N 3.04Å; A218-R222 VanDerWaalsContact O-N 3.15Å; L219-R222 CarbonylContact O-C 3.5Å; L219-R222 WeakPolarHBondContact O-CA 3.38Å; L219-R222 WeakPolarHBondContact O-CB 3.4Å; L219-R222 PolarHBondContact O-N 3.11Å; R222-E225 PolarHBondContact O-N 3.24Å; R222-H226 WeakPolarHBondContact O-CB 3.43Å; R222-H226 PolarHBondContact O-N 2.93Å
223	E	94.6	Very high	96	Very high	117 Å²	117	97.6 Å²	97.6	55%	0.547	48%	0.479	S	S	.	.	H	α-helix	trans	-62.2	-51.2	173.4	-175	170.6	-143.7	0	0	109.9	L219 E225 H226 D227	L219-E223 WeakPolarHBondContact O-CB 3.26Å; L219-E223 PolarHBondContact O-N 3.43Å; E223-E225 VanDerWaalsContact C-N 3.26Å; E223-E225 PolarHBondContact O-N 2.98Å; E223-H226 PolarHBondContact O-N 3.34Å; E223-H226 VanDerWaalsContact O-N 3.07Å; E223-D227 PolarHBondContact O-N 3.25Å
224	S	95.8	Very high	96.1	Very high	47 Å²	47	101.7 Å²	101.7	33%	0.329	49%	0.492	S	S	.	.	H	α-helix	trans	-61.8	-28.7	175.4	-167.6	0	0	0	0	114	L220 R221 K228	L220-S224 VanDerWaalsContact O-CB 3.23Å; L220-S224 WeakPolarHBondContact O-CB 3.24Å; L220-S224 PolarHBondContact O-N 3.45Å; R221-S224 PolarHBondContact O-N 2.97Å; S224-K228 WeakPolarHBondContact O-CD 3.49Å; S224-K228 WeakPolarHBondContact O-CE 3.33Å; S224-K228 WeakPolarHBondContact O-CG 3.36Å; S224-K228 PolarHBondContact O-N 3.33Å; S224-K228 PolarHBondContact O-NZ 2.65Å; S224-K228 VanDerWaalsContact O-NZ 3.1Å; S224-K228 PolarHBondContact OG-NZ 3.1Å
225	E	96.4	Very high	96.1	Very high	118 Å²	118	103.8 Å²	103.8	55%	0.551	50%	0.496	S	S	*	.	H	α-helix	trans	-74.8	-41.9	172	-76.9	166.7	-174.3	0	0	111.8	R221 R222 E223 K228 M229	R221-E225 WeakPolarHBondContact O-CB 3.46Å; R221-E225 VanDerWaalsContact O-CG 3.28Å; R221-E225 WeakPolarHBondContact O-CG 3.39Å; R221-E225 PolarHBondContact O-N 3.31Å; R222-E225 PolarHBondContact O-N 3.24Å; E223-E225 VanDerWaalsContact C-N 3.26Å; E223-E225 PolarHBondContact O-N 2.98Å; E225-K228 PolarHBondContact O-N 3.34Å; E225-M229 PolarHBondContact O-N 3.22Å
226	H	96.3	Very high	96.2	Very high	117 Å²	117	103.3 Å²	103.3	54%	0.542	49%	0.491	S	S	.	.	H	α-helix	trans	-64.5	-46	176.8	-166.9	61.6	0	0	0	111.2	R222 E223 K228 M229 V230	R222-H226 WeakPolarHBondContact O-CB 3.43Å; R222-H226 PolarHBondContact O-N 2.93Å; E223-H226 PolarHBondContact O-N 3.34Å; E223-H226 VanDerWaalsContact O-N 3.07Å; H226-K228 VanDerWaalsContact C-N 3.26Å; H226-K228 PolarHBondContact O-N 2.67Å; H226-M229 WeakPolarHBondContact O-CB 3.22Å; H226-M229 PolarHBondContact O-N 2.96Å; H226-M229 VanDerWaalsContact O-N 3.1Å; H226-V230 WeakPolarHBondContact O-CB 3.45Å; H226-V230 WeakPolarHBondContact O-CG2 3.48Å; H226-V230 PolarHBondContact O-N 3.44Å
227	D	95.2	Very high	96.2	Very high	76 Å²	76	102.6 Å²	102.6	41%	0.406	49%	0.488	S	S	.	.	H	α-helix	trans	-59.3	-35.7	175.9	-70.8	-17.5	0	0	0	112.8	E223 R231	E223-D227 PolarHBondContact O-N 3.25Å; D227-R231 WeakPolarHBondContact O-CB 3.41Å; D227-R231 WeakPolarHBondContact O-CG 3.45Å; D227-R231 VanDerWaalsContact O-CZ 3.32Å; D227-R231 PolarHBondContact O-N 2.88Å; D227-R231 PolarHBondContact O-NE 3.11Å
228	K	96.7	Very high	96.2	Very high	106 Å²	106	103.6 Å²	103.6	46%	0.461	49%	0.493	S	S	.	.	H	α-helix	trans	-68.1	-43.4	175.5	-72.8	162.8	-168	127.9	0	111.1	S224 E225 H226 R231 S232	S224-K228 WeakPolarHBondContact O-CD 3.49Å; S224-K228 WeakPolarHBondContact O-CE 3.33Å; S224-K228 WeakPolarHBondContact O-CG 3.36Å; S224-K228 PolarHBondContact O-N 3.33Å; S224-K228 PolarHBondContact O-NZ 2.65Å; S224-K228 VanDerWaalsContact O-NZ 3.1Å; S224-K228 PolarHBondContact OG-NZ 3.1Å; E225-K228 PolarHBondContact O-N 3.34Å; H226-K228 VanDerWaalsContact C-N 3.26Å; H226-K228 PolarHBondContact O-N 2.67Å; K228-R231 PolarHBondContact O-N 3.38Å; K228-S232 PolarHBondContact O-N 2.62Å
229	M	97.1	Very high	96.2	Very high	121 Å²	121	103.5 Å²	103.5	60%	0.596	49%	0.49	S	S	*	.	H	α-helix	trans	-62.7	-46.2	175.2	178.4	176	-74.3	0	0	111.4	E225 H226 R231 S232 I233	E225-M229 PolarHBondContact O-N 3.22Å; H226-M229 WeakPolarHBondContact O-CB 3.22Å; H226-M229 PolarHBondContact O-N 2.96Å; H226-M229 VanDerWaalsContact O-N 3.1Å; M229-R231 PolarHBondContact O-N 3.47Å; M229-S232 WeakPolarHBondContact O-CB 3.35Å; M229-S232 PolarHBondContact O-N 3.42Å; M229-I233 HydrophobicContact CG-CD1 3.95Å; M229-I233 VanDerWaalsContact O-CG1 3.32Å; M229-I233 WeakPolarHBondContact O-CG1 3.36Å; M229-I233 PolarHBondContact O-N 2.96Å
230	V	96.5	Very high	96.3	Very high	48 Å²	48	103.5 Å²	103.5	29%	0.291	49%	0.486	S	S	.	.	H	α-helix	trans	-60.2	-45.7	177	169.8	0	0	0	0	110.7	H226 I233 Y234	H226-V230 WeakPolarHBondContact O-CB 3.45Å; H226-V230 WeakPolarHBondContact O-CG2 3.48Å; H226-V230 PolarHBondContact O-N 3.44Å; V230-I233 PolarHBondContact O-N 3.49Å; V230-Y234 HydrophobicContact CG1-CD2 3.73Å; V230-Y234 HydrophobicContact CG1-CE2 3.53Å; V230-Y234 WeakPolarHBondContact O-CD2 3.48Å; V230-Y234 PolarHBondContact O-N 3.36Å
231	R	96.3	Very high	96.3	Very high	119 Å²	119	102.5 Å²	102.5	45%	0.449	48%	0.481	S	S	.	.	H	α-helix	trans	-63	-42.3	175.6	-79.5	178.7	-87.5	104.2	-4.1	113.1	D227 K228 M229 I233 Y234 E235	D227-R231 WeakPolarHBondContact O-CB 3.41Å; D227-R231 WeakPolarHBondContact O-CG 3.45Å; D227-R231 VanDerWaalsContact O-CZ 3.32Å; D227-R231 PolarHBondContact O-N 2.88Å; D227-R231 PolarHBondContact O-NE 3.11Å; K228-R231 PolarHBondContact O-N 3.38Å; M229-R231 PolarHBondContact O-N 3.47Å; R231-I233 VanDerWaalsContact C-N 3.32Å; R231-I233 PolarHBondContact O-N 3.18Å; R231-Y234 PolarHBondContact O-N 3.09Å; R231-E235 WeakPolarHBondContact O-CB 3.29Å; R231-E235 WeakPolarHBondContact O-CG 3.34Å; R231-E235 PolarHBondContact O-N 3.05Å
232	S	96.6	Very high	96.3	Very high	51 Å²	51	103.2 Å²	103.2	36%	0.357	48%	0.483	S	S	.	.	H	α-helix	trans	-55.9	-46.7	173.2	-161.9	0	0	0	0	111.7	K228 M229 Y234 E235 E236	K228-S232 PolarHBondContact O-N 2.62Å; M229-S232 WeakPolarHBondContact O-CB 3.35Å; M229-S232 PolarHBondContact O-N 3.42Å; S232-Y234 VanDerWaalsContact C-N 3.35Å; S232-Y234 PolarHBondContact O-N 3.06Å; S232-E235 PolarHBondContact O-N 3.35Å; S232-E236 WeakPolarHBondContact O-CB 3.38Å; S232-E236 VanDerWaalsContact O-CG 3.26Å; S232-E236 WeakPolarHBondContact O-CG 3.47Å; S232-E236 PolarHBondContact O-N 3.07Å; S232-E236 PolarHBondContact OG-OE1 2.89Å
233	I	96.8	Very high	96.3	Very high	97 Å²	97	98.3 Å²	98.3	50%	0.497	47%	0.469	S	S	.	.	H	α-helix	trans	-63.8	-39.2	179.6	-66.5	164	0	0	0	111.5	M229 V230 R231 M237	M229-I233 HydrophobicContact CG-CD1 3.95Å; M229-I233 VanDerWaalsContact O-CG1 3.32Å; M229-I233 WeakPolarHBondContact O-CG1 3.36Å; M229-I233 PolarHBondContact O-N 2.96Å; V230-I233 PolarHBondContact O-N 3.49Å; R231-I233 VanDerWaalsContact C-N 3.32Å; R231-I233 PolarHBondContact O-N 3.18Å; I233-M237 VanDerWaalsContact O-CB 3.22Å; I233-M237 WeakPolarHBondContact O-CB 3.28Å; I233-M237 PolarHBondContact O-N 2.66Å
234	Y	96.6	Very high	96.3	Very high	138 Å²	138	97.2 Å²	97.2	54%	0.541	46%	0.464	S	S	.	.	H	α-helix	trans	-66.3	-45.8	173.5	-81.7	-67	0	0	0	112.3	V230 R231 S232 E236 M237 E238	V230-Y234 HydrophobicContact CG1-CD2 3.73Å; V230-Y234 HydrophobicContact CG1-CE2 3.53Å; V230-Y234 WeakPolarHBondContact O-CD2 3.48Å; V230-Y234 PolarHBondContact O-N 3.36Å; R231-Y234 PolarHBondContact O-N 3.09Å; S232-Y234 VanDerWaalsContact C-N 3.35Å; S232-Y234 PolarHBondContact O-N 3.06Å; Y234-E236 PolarHBondContact O-N 2.98Å; Y234-M237 HydrophobicContact CD1-CE 3.59Å; Y234-M237 HydrophobicContact CE1-CE 3.86Å; Y234-M237 PolarHBondContact O-N 2.81Å; Y234-E238 WeakPolarHBondContact O-CB 3.17Å; Y234-E238 WeakPolarHBondContact O-CG 3.34Å; Y234-E238 PolarHBondContact O-N 3.06Å
235	E	97.1	Very high	96.2	Very high	126 Å²	126	101.8 Å²	101.8	59%	0.589	48%	0.478	S	S	*	.	H	α-helix	trans	-62.5	-41.9	179	-71.8	170.1	-148.9	0	0	112	R231 S232 E238 S239	R231-E235 WeakPolarHBondContact O-CB 3.29Å; R231-E235 WeakPolarHBondContact O-CG 3.34Å; R231-E235 PolarHBondContact O-N 3.05Å; S232-E235 PolarHBondContact O-N 3.35Å; E235-E238 PolarHBondContact O-N 3.16Å; E235-S239 PolarHBondContact O-N 3.45Å
236	E	97.2	Very high	96.2	Very high	104 Å²	104	103.1 Å²	103.1	49%	0.486	48%	0.484	S	S	.	.	H	α-helix	trans	-63.5	-46.9	173.8	-73.5	168.1	-127.3	0	0	111.7	S232 Y234 E238 S239 Q240	S232-E236 WeakPolarHBondContact O-CB 3.38Å; S232-E236 VanDerWaalsContact O-CG 3.26Å; S232-E236 WeakPolarHBondContact O-CG 3.47Å; S232-E236 PolarHBondContact O-N 3.07Å; S232-E236 PolarHBondContact OG-OE1 2.89Å; Y234-E236 PolarHBondContact O-N 2.98Å; E236-E238 PolarHBondContact O-N 2.67Å; E236-S239 WeakPolarHBondContact O-CB 3.42Å; E236-S239 PolarHBondContact O-N 3.19Å; E236-Q240 WeakPolarHBondContact O-CG 3.42Å; E236-Q240 PolarHBondContact O-N 2.9Å
237	M	95.8	Very high	96.1	Very high	86 Å²	86	102.3 Å²	102.3	42%	0.424	48%	0.478	S	S	.	.	H	α-helix	trans	-63.1	-41	177.3	-178.1	176.4	61.6	0	0	111.7	I233 Y234 S239 Q240 I241	I233-M237 VanDerWaalsContact O-CB 3.22Å; I233-M237 WeakPolarHBondContact O-CB 3.28Å; I233-M237 PolarHBondContact O-N 2.66Å; Y234-M237 HydrophobicContact CD1-CE 3.59Å; Y234-M237 HydrophobicContact CE1-CE 3.86Å; Y234-M237 PolarHBondContact O-N 2.81Å; M237-S239 VanDerWaalsContact C-N 3.35Å; M237-Q240 PolarHBondContact O-N 3.48Å; M237-I241 HydrophobicContact CG-CD1 3.8Å; M237-I241 HydrophobicContact CG-CG1 4.45Å; M237-I241 WeakPolarHBondContact O-CB 3.23Å; M237-I241 VanDerWaalsContact O-CG1 3.25Å; M237-I241 WeakPolarHBondContact O-CG1 3.22Å; M237-I241 PolarHBondContact O-N 3.16Å
238	E	95.8	Very high	95.8	Very high	114 Å²	114	105.6 Å²	105.6	53%	0.533	49%	0.485	S	S	.	.	H	α-helix	trans	-67.9	-31.2	174.7	-76.3	-167.4	177.9	0	0	113	Y234 E235 E236 R242	Y234-E238 WeakPolarHBondContact O-CB 3.17Å; Y234-E238 WeakPolarHBondContact O-CG 3.34Å; Y234-E238 PolarHBondContact O-N 3.06Å; E235-E238 PolarHBondContact O-N 3.16Å; E236-E238 PolarHBondContact O-N 2.67Å; E238-R242 WeakPolarHBondContact O-CB 3.42Å; E238-R242 VanDerWaalsContact O-CG 3.29Å; E238-R242 WeakPolarHBondContact O-CG 3.2Å; E238-R242 PolarHBondContact O-N 2.83Å; E238-R242 VanDerWaalsContact O-N 3.09Å; E238-R242 PolarHBondContact O-NE 2.88Å
239	S	95.5	Very high	95.7	Very high	44 Å²	44	103.5 Å²	103.5	31%	0.308	49%	0.488	S	S	.	.	H	α-helix	trans	-64.1	-51.3	169.8	-160.4	0	0	0	0	110.8	E235 E236 M237 I241 R242 E243	E235-S239 PolarHBondContact O-N 3.45Å; E236-S239 WeakPolarHBondContact O-CB 3.42Å; E236-S239 PolarHBondContact O-N 3.19Å; M237-S239 VanDerWaalsContact C-N 3.35Å; S239-I241 VanDerWaalsContact C-N 3.33Å; S239-I241 PolarHBondContact O-N 3.01Å; S239-R242 PolarHBondContact O-N 2.94Å; S239-E243 WeakPolarHBondContact O-CG 3.39Å; S239-E243 PolarHBondContact O-N 2.83Å; S239-E243 PolarHBondContact OG-OE1 2.93Å; S239-E243 VanDerWaalsContact OG-OE1 3.1Å
240	Q	97.3	Very high	95.6	Very high	123 Å²	123	100.7 Å²	100.7	58%	0.575	48%	0.484	S	S	*	.	H	α-helix	trans	-59.2	-43	179.3	-68	175.3	25.8	0	0	112.1	E236 M237 R242 E243 E244	E236-Q240 WeakPolarHBondContact O-CG 3.42Å; E236-Q240 PolarHBondContact O-N 2.9Å; M237-Q240 PolarHBondContact O-N 3.48Å; Q240-R242 VanDerWaalsContact C-N 3.33Å; Q240-R242 PolarHBondContact O-N 3.24Å; Q240-E243 PolarHBondContact O-N 2.83Å; Q240-E244 WeakPolarHBondContact O-CB 3.28Å; Q240-E244 WeakPolarHBondContact O-CG 3.39Å; Q240-E244 PolarHBondContact O-N 3.12Å
241	I	96	Very high	95.6	Very high	75 Å²	75	103.1 Å²	103.1	39%	0.385	49%	0.492	S	S	.	.	H	α-helix	trans	-63.2	-36.8	176.2	-71.7	168.8	0	0	0	111.7	M237 S239 K245	M237-I241 HydrophobicContact CG-CD1 3.8Å; M237-I241 HydrophobicContact CG-CG1 4.45Å; M237-I241 WeakPolarHBondContact O-CB 3.23Å; M237-I241 VanDerWaalsContact O-CG1 3.25Å; M237-I241 WeakPolarHBondContact O-CG1 3.22Å; M237-I241 PolarHBondContact O-N 3.16Å; S239-I241 VanDerWaalsContact C-N 3.33Å; S239-I241 PolarHBondContact O-N 3.01Å; I241-K245 HydrophobicContact CG2-CD 4.01Å; I241-K245 WeakPolarHBondContact O-CB 3.43Å; I241-K245 WeakPolarHBondContact O-CD 3.27Å; I241-K245 WeakPolarHBondContact O-CG 3.32Å; I241-K245 PolarHBondContact O-N 2.84Å
242	R	96.8	Very high	95.3	Very high	150 Å²	150	100.9 Å²	100.9	57%	0.566	49%	0.489	S	S	*	.	H	α-helix	trans	-69.9	-48.2	175.4	-78.1	175.2	-70.2	172.4	-2	111.7	E238 S239 Q240 E244 K245 E246	E238-R242 WeakPolarHBondContact O-CB 3.42Å; E238-R242 VanDerWaalsContact O-CG 3.29Å; E238-R242 WeakPolarHBondContact O-CG 3.2Å; E238-R242 PolarHBondContact O-N 2.83Å; E238-R242 VanDerWaalsContact O-N 3.09Å; E238-R242 PolarHBondContact O-NE 2.88Å; S239-R242 PolarHBondContact O-N 2.94Å; Q240-R242 VanDerWaalsContact C-N 3.33Å; Q240-R242 PolarHBondContact O-N 3.24Å; R242-E244 PolarHBondContact O-N 2.92Å; R242-K245 PolarHBondContact O-N 2.83Å; R242-E246 PolarHBondContact O-N 3.16Å
243	E	96.3	Very high	95.2	Very high	88 Å²	88	100.3 Å²	100.3	41%	0.411	49%	0.485	S	S	.	.	H	α-helix	trans	-61.1	-43.8	179.9	-71.6	173.1	-133.2	0	0	112.5	S239 Q240 E246 K247	S239-E243 WeakPolarHBondContact O-CG 3.39Å; S239-E243 PolarHBondContact O-N 2.83Å; S239-E243 PolarHBondContact OG-OE1 2.93Å; S239-E243 VanDerWaalsContact OG-OE1 3.1Å; Q240-E243 PolarHBondContact O-N 2.83Å; E243-E246 PolarHBondContact O-N 3.18Å; E243-K247 WeakPolarHBondContact O-CB 3.21Å; E243-K247 WeakPolarHBondContact O-CD 3.41Å; E243-K247 WeakPolarHBondContact O-CG 3.4Å; E243-K247 PolarHBondContact O-N 2.81Å; E243-K247 IonicContact OE2-NZ 2.79Å
244	E	93.5	Very high	95.2	Very high	94 Å²	94	100.3 Å²	100.3	44%	0.439	49%	0.485	S	S	.	.	H	α-helix	trans	-67.1	-39.9	176.1	-70.3	-57.5	122.9	0	0	112	Q240 R242 E246 K247 W248	Q240-E244 WeakPolarHBondContact O-CB 3.28Å; Q240-E244 WeakPolarHBondContact O-CG 3.39Å; Q240-E244 PolarHBondContact O-N 3.12Å; R242-E244 PolarHBondContact O-N 2.92Å; E244-E246 VanDerWaalsContact C-N 3.34Å; E244-E246 PolarHBondContact O-N 2.76Å; E244-K247 PolarHBondContact O-N 3.02Å; E244-K247 WeakPolarHBondContact OE1-CD 3.36Å; E244-K247 WeakPolarHBondContact OE1-CE 3.41Å; E244-K247 IonicContact OE1-NZ 3.17Å; E244-K247 PolarHBondContact OE1-NZ 2.68Å; E244-W248 WeakPolarHBondContact O-CB 3.37Å; E244-W248 VanDerWaalsContact O-CD1 3.27Å; E244-W248 PolarHBondContact O-N 3.29Å
245	K	94.4	Very high	95.1	Very high	143 Å²	143	96.7 Å²	96.7	62%	0.622	47%	0.473	S	S	*	.	H	α-helix	trans	-60.5	-41.3	172.9	-78.2	171.1	-179.4	173.2	0	112.3	I241 R242 W248 A249	I241-K245 HydrophobicContact CG2-CD 4.01Å; I241-K245 WeakPolarHBondContact O-CB 3.43Å; I241-K245 WeakPolarHBondContact O-CD 3.27Å; I241-K245 WeakPolarHBondContact O-CG 3.32Å; I241-K245 PolarHBondContact O-N 2.84Å; R242-K245 PolarHBondContact O-N 2.83Å; K245-W248 PolarHBondContact O-N 3.22Å; K245-A249 WeakPolarHBondContact O-CB 3.44Å; K245-A249 PolarHBondContact O-N 2.78Å
246	E	95.6	Very high	95	Very high	146 Å²	146	97 Å²	97	68%	0.682	47%	0.474	S	S	*	.	H	α-helix	trans	-68.2	-42.3	177.9	-171.5	171.6	-171.4	0	0	111.8	R242 E243 E244 W248 A249 A250	R242-E246 PolarHBondContact O-N 3.16Å; E243-E246 PolarHBondContact O-N 3.18Å; E244-E246 VanDerWaalsContact C-N 3.34Å; E244-E246 PolarHBondContact O-N 2.76Å; E246-W248 PolarHBondContact O-N 2.91Å; E246-A249 PolarHBondContact O-N 3.43Å; E246-A250 VanDerWaalsContact O-CB 3.29Å; E246-A250 WeakPolarHBondContact O-CB 3.13Å; E246-A250 PolarHBondContact O-N 3.47Å
247	K	95.7	Very high	94.9	Very high	99 Å²	99	98.1 Å²	98.1	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-58.7	-45.9	173.3	-70	158.5	-166.2	154	0	111.7	E243 E244 Q251	E243-K247 WeakPolarHBondContact O-CB 3.21Å; E243-K247 WeakPolarHBondContact O-CD 3.41Å; E243-K247 WeakPolarHBondContact O-CG 3.4Å; E243-K247 PolarHBondContact O-N 2.81Å; E243-K247 IonicContact OE2-NZ 2.79Å; E244-K247 PolarHBondContact O-N 3.02Å; E244-K247 WeakPolarHBondContact OE1-CD 3.36Å; E244-K247 WeakPolarHBondContact OE1-CE 3.41Å; E244-K247 IonicContact OE1-NZ 3.17Å; E244-K247 PolarHBondContact OE1-NZ 2.68Å; K247-Q251 WeakPolarHBondContact O-CB 3.47Å; K247-Q251 PolarHBondContact O-N 2.75Å
248	W	87.7	Confident	94.9	Very high	146 Å²	146	98.5 Å²	98.5	55%	0.553	48%	0.478	S	S	*	.	H	α-helix	trans	-63.1	-49.5	176.2	-88.3	94.7	0	0	0	112	E244 K245 E246 A250 Q251 D252	E244-W248 WeakPolarHBondContact O-CB 3.37Å; E244-W248 VanDerWaalsContact O-CD1 3.27Å; E244-W248 PolarHBondContact O-N 3.29Å; K245-W248 PolarHBondContact O-N 3.22Å; E246-W248 PolarHBondContact O-N 2.91Å; W248-A250 VanDerWaalsContact C-N 3.32Å; W248-A250 PolarHBondContact O-N 2.87Å; W248-Q251 PolarHBondContact O-N 3.14Å; W248-Q251 VanDerWaalsContact O-N 3.1Å; W248-D252 PolarHBondContact O-N 2.92Å
249	A	95.1	Very high	94.9	Very high	62 Å²	62	100.5 Å²	100.5	51%	0.512	48%	0.481	S	S	.	.	H	α-helix	trans	-59.8	-39.9	178	0	0	0	0	0	112.8	K245 E246 S253	K245-A249 WeakPolarHBondContact O-CB 3.44Å; K245-A249 PolarHBondContact O-N 2.78Å; E246-A249 PolarHBondContact O-N 3.43Å; A249-S253 WeakPolarHBondContact O-CB 3.34Å; A249-S253 PolarHBondContact O-N 2.56Å
250	A	95.8	Very high	94.9	Very high	62 Å²	62	100.1 Å²	100.1	51%	0.512	48%	0.484	S	S	.	.	H	α-helix	trans	-66.1	-41.2	174	0	0	0	0	0	112.2	E246 W248 L254	E246-A250 VanDerWaalsContact O-CB 3.29Å; E246-A250 WeakPolarHBondContact O-CB 3.13Å; E246-A250 PolarHBondContact O-N 3.47Å; W248-A250 VanDerWaalsContact C-N 3.32Å; W248-A250 PolarHBondContact O-N 2.87Å; A250-L254 PolarHBondContact O-N 3.17Å; A250-L254 VanDerWaalsContact O-N 3.1Å
251	Q	95.2	Very high	94.9	Very high	98 Å²	98	100 Å²	100	46%	0.458	48%	0.483	S	S	.	.	H	α-helix	trans	-66.3	-41.2	177.1	-156.6	-159.2	34.6	0	0	111.7	K247 W248 L254 K255	K247-Q251 WeakPolarHBondContact O-CB 3.47Å; K247-Q251 PolarHBondContact O-N 2.75Å; W248-Q251 PolarHBondContact O-N 3.14Å; W248-Q251 VanDerWaalsContact O-N 3.1Å; Q251-L254 WeakPolarHBondContact O-CB 3.23Å; Q251-L254 PolarHBondContact O-N 2.99Å; Q251-K255 VanDerWaalsContact CD-CE 3.45Å; Q251-K255 WeakPolarHBondContact O-CG 3.44Å; Q251-K255 PolarHBondContact O-N 3.34Å; Q251-K255 VanDerWaalsContact OE1-CE 3.22Å
252	D	91.2	Very high	95	Very high	73 Å²	73	102 Å²	102	39%	0.39	49%	0.491	S	S	.	.	H	α-helix	trans	-71.9	-39.1	179.2	-72.4	-32.2	0	0	0	112.1	W248 L254 K255 E256	W248-D252 PolarHBondContact O-N 2.92Å; D252-L254 PolarHBondContact O-N 2.95Å; D252-K255 PolarHBondContact O-N 2.86Å; D252-K255 VanDerWaalsContact O-N 3.17Å; D252-K255 WeakPolarHBondContact OD1-CD 3.13Å; D252-K255 WeakPolarHBondContact OD1-CE 3.42Å; D252-K255 IonicContact OD1-NZ 2.89Å; D252-K255 PolarHBondContact OD1-NZ 3.05Å; D252-E256 WeakPolarHBondContact O-CB 3.21Å; D252-E256 PolarHBondContact O-N 3.12Å
253	S	94.8	Very high	94.9	Very high	39 Å²	39	99.9 Å²	99.9	27%	0.273	49%	0.49	S	S	.	.	H	α-helix	trans	-60.9	-32	170.4	-169.8	0	0	0	0	112.4	A249 K257	A249-S253 WeakPolarHBondContact O-CB 3.34Å; A249-S253 PolarHBondContact O-N 2.56Å; S253-K257 WeakPolarHBondContact O-CB 3.3Å; S253-K257 WeakPolarHBondContact O-CD 3.48Å; S253-K257 VanDerWaalsContact O-CG 3.25Å; S253-K257 WeakPolarHBondContact O-CG 2.98Å; S253-K257 PolarHBondContact O-N 3.36Å; S253-K257 VanDerWaalsContact O-N 3.08Å; S253-K257 PolarHBondContact OG-NZ 3.27Å
254	L	96.5	Very high	94.9	Very high	96 Å²	96	102.2 Å²	102.2	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-71.2	-44.7	173	-177.2	63.6	0	0	0	111.9	A250 Q251 D252 E256 K257 Q258	A250-L254 PolarHBondContact O-N 3.17Å; A250-L254 VanDerWaalsContact O-N 3.1Å; Q251-L254 WeakPolarHBondContact O-CB 3.23Å; Q251-L254 PolarHBondContact O-N 2.99Å; D252-L254 PolarHBondContact O-N 2.95Å; L254-E256 VanDerWaalsContact C-N 3.31Å; L254-E256 PolarHBondContact O-N 2.96Å; L254-K257 PolarHBondContact O-N 2.91Å; L254-Q258 VanDerWaalsContact O-CG 3.31Å; L254-Q258 WeakPolarHBondContact O-CG 3.3Å; L254-Q258 PolarHBondContact O-N 2.93Å
255	K	94.4	Very high	95.1	Very high	63 Å²	63	104.3 Å²	104.3	27%	0.274	51%	0.511	S	S	.	.	H	α-helix	trans	-59.3	-42.3	174.4	-67.3	167.1	-155.3	158.8	0	111.2	Q251 D252 Q258 R259	Q251-K255 VanDerWaalsContact CD-CE 3.45Å; Q251-K255 WeakPolarHBondContact O-CG 3.44Å; Q251-K255 PolarHBondContact O-N 3.34Å; Q251-K255 VanDerWaalsContact OE1-CE 3.22Å; D252-K255 PolarHBondContact O-N 2.86Å; D252-K255 VanDerWaalsContact O-N 3.17Å; D252-K255 WeakPolarHBondContact OD1-CD 3.13Å; D252-K255 WeakPolarHBondContact OD1-CE 3.42Å; D252-K255 IonicContact OD1-NZ 2.89Å; D252-K255 PolarHBondContact OD1-NZ 3.05Å; K255-Q258 PolarHBondContact O-N 3.41Å; K255-R259 VanDerWaalsContact O-CG 3.29Å; K255-R259 WeakPolarHBondContact O-CG 3.47Å; K255-R259 PolarHBondContact O-N 2.77Å
256	E	94.3	Very high	95.2	Very high	133 Å²	133	101.3 Å²	101.3	62%	0.621	50%	0.499	S	S	*	.	H	α-helix	trans	-63.3	-48.2	177.9	-174.2	-178.8	-150.9	0	0	111.4	D252 L254 Q258 R259 G260	D252-E256 WeakPolarHBondContact O-CB 3.21Å; D252-E256 PolarHBondContact O-N 3.12Å; L254-E256 VanDerWaalsContact C-N 3.31Å; L254-E256 PolarHBondContact O-N 2.96Å; E256-Q258 VanDerWaalsContact C-N 3.33Å; E256-Q258 PolarHBondContact O-N 3.24Å; E256-R259 PolarHBondContact O-N 3.05Å; E256-G260 PolarHBondContact O-N 2.99Å
257	K	95.9	Very high	95.3	Very high	127 Å²	127	99.7 Å²	99.7	55%	0.552	50%	0.495	S	S	*	.	H	α-helix	trans	-59.9	-40.7	175	-74.7	162.8	-176.5	143.9	0	112.5	S253 L254 G260 Q261	S253-K257 WeakPolarHBondContact O-CB 3.3Å; S253-K257 WeakPolarHBondContact O-CD 3.48Å; S253-K257 VanDerWaalsContact O-CG 3.25Å; S253-K257 WeakPolarHBondContact O-CG 2.98Å; S253-K257 PolarHBondContact O-N 3.36Å; S253-K257 VanDerWaalsContact O-N 3.08Å; S253-K257 PolarHBondContact OG-NZ 3.27Å; L254-K257 PolarHBondContact O-N 2.91Å; K257-G260 PolarHBondContact O-N 3.23Å; K257-Q261 WeakPolarHBondContact O-CG 3.42Å; K257-Q261 PolarHBondContact O-N 3.28Å
258	Q	95.6	Very high	95.3	Very high	93 Å²	93	102.1 Å²	102.1	44%	0.435	51%	0.505	S	S	.	.	H	α-helix	trans	-65.5	-42.3	175.6	-72.7	172.9	-5.2	0	0	112.2	L254 K255 E256 Q261 Q262	L254-Q258 VanDerWaalsContact O-CG 3.31Å; L254-Q258 WeakPolarHBondContact O-CG 3.3Å; L254-Q258 PolarHBondContact O-N 2.93Å; K255-Q258 PolarHBondContact O-N 3.41Å; E256-Q258 VanDerWaalsContact C-N 3.33Å; E256-Q258 PolarHBondContact O-N 3.24Å; Q258-Q261 PolarHBondContact O-N 2.86Å; Q258-Q262 VanDerWaalsContact O-CG 3.3Å; Q258-Q262 WeakPolarHBondContact O-CG 3.49Å; Q258-Q262 PolarHBondContact O-N 3.4Å
259	R	94.9	Very high	95.8	Very high	157 Å²	157	98.8 Å²	98.8	59%	0.592	50%	0.501	S	S	*	.	H	α-helix	trans	-62.1	-42.3	173	-72.7	169.6	179.4	-176.4	0.8	111.5	K255 E256 Q262 L263	K255-R259 VanDerWaalsContact O-CG 3.29Å; K255-R259 WeakPolarHBondContact O-CG 3.47Å; K255-R259 PolarHBondContact O-N 2.77Å; E256-R259 PolarHBondContact O-N 3.05Å; R259-Q262 PolarHBondContact O-N 2.99Å; R259-L263 WeakPolarHBondContact O-CB 3.5Å; R259-L263 VanDerWaalsContact O-CG 3.3Å; R259-L263 WeakPolarHBondContact O-CG 3.43Å; R259-L263 PolarHBondContact O-N 3.21Å
260	G	96.5	Very high	95.9	Very high	36 Å²	36	102.3 Å²	102.3	37%	0.371	50%	0.501	S	S	.	.	H	α-helix	trans	-59	-49	175.8	0	0	0	0	0	112.3	E256 K257 Q262 L263 E264	E256-G260 PolarHBondContact O-N 2.99Å; K257-G260 PolarHBondContact O-N 3.23Å; G260-Q262 PolarHBondContact O-N 3.29Å; G260-L263 PolarHBondContact O-N 3.21Å; G260-E264 WeakPolarHBondContact O-CB 3.42Å; G260-E264 PolarHBondContact O-N 3.12Å
261	Q	96.9	Very high	95.9	Very high	119 Å²	119	105.6 Å²	105.6	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-60.8	-43.6	176.4	-73.4	171.4	-18.8	0	0	112.4	K257 Q258 L263 E264 E265	K257-Q261 WeakPolarHBondContact O-CG 3.42Å; K257-Q261 PolarHBondContact O-N 3.28Å; Q258-Q261 PolarHBondContact O-N 2.86Å; Q261-L263 VanDerWaalsContact C-N 3.33Å; Q261-L263 PolarHBondContact O-N 2.96Å; Q261-E264 PolarHBondContact O-N 2.91Å; Q261-E265 WeakPolarHBondContact O-CG 3.37Å; Q261-E265 PolarHBondContact O-N 3.37Å
262	Q	97	Very high	96	Very high	117 Å²	117	107.1 Å²	107.1	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-62.5	-39	175.6	-72.7	171.1	4	0	0	112.4	Q258 R259 G260 E266	Q258-Q262 VanDerWaalsContact O-CG 3.3Å; Q258-Q262 WeakPolarHBondContact O-CG 3.49Å; Q258-Q262 PolarHBondContact O-N 3.4Å; R259-Q262 PolarHBondContact O-N 2.99Å; G260-Q262 PolarHBondContact O-N 3.29Å; Q262-E266 WeakPolarHBondContact O-CB 3.49Å; Q262-E266 PolarHBondContact O-N 3.49Å
263	L	95.9	Very high	96.3	Very high	107 Å²	107	108.6 Å²	108.6	56%	0.56	52%	0.517	S	S	*	.	H	α-helix	trans	-69.8	-36.1	175.5	-71.1	169.9	0	0	0	112.2	R259 G260 Q261 E266 L267	R259-L263 WeakPolarHBondContact O-CB 3.5Å; R259-L263 VanDerWaalsContact O-CG 3.3Å; R259-L263 WeakPolarHBondContact O-CG 3.43Å; R259-L263 PolarHBondContact O-N 3.21Å; G260-L263 PolarHBondContact O-N 3.21Å; Q261-L263 VanDerWaalsContact C-N 3.33Å; Q261-L263 PolarHBondContact O-N 2.96Å; L263-E266 PolarHBondContact O-N 3.41Å; L263-L267 WeakPolarHBondContact O-CB 3.43Å; L263-L267 VanDerWaalsContact O-CG 3.24Å; L263-L267 WeakPolarHBondContact O-CG 3.33Å; L263-L267 PolarHBondContact O-N 3.47Å
264	E	96.5	Very high	96.4	Very high	137 Å²	137	111.7 Å²	111.7	64%	0.64	53%	0.53	S	S	*	.	H	α-helix	trans	-66.9	-40.2	175.2	-169.8	173.9	-168.9	0	0	111.7	G260 Q261 L267 K268	G260-E264 WeakPolarHBondContact O-CB 3.42Å; G260-E264 PolarHBondContact O-N 3.12Å; Q261-E264 PolarHBondContact O-N 2.91Å; E264-L267 PolarHBondContact O-N 2.99Å; E264-K268 VanDerWaalsContact O-CB 3.27Å; E264-K268 WeakPolarHBondContact O-CB 3.42Å; E264-K268 PolarHBondContact O-N 3.3Å
265	E	97.2	Very high	96.4	Very high	138 Å²	138	111.3 Å²	111.3	65%	0.645	53%	0.526	S	S	*	.	H	α-helix	trans	-66.4	-42	172.1	-71.3	-176.7	167.4	0	0	112.5	Q261 K268 T269	Q261-E265 WeakPolarHBondContact O-CG 3.37Å; Q261-E265 PolarHBondContact O-N 3.37Å; E265-K268 PolarHBondContact O-N 3.34Å; E265-T269 WeakPolarHBondContact O-CG2 3.21Å; E265-T269 PolarHBondContact O-N 3.22Å; E265-T269 PolarHBondContact O-OG1 2.82Å
266	E	96.6	Very high	96.5	Very high	79 Å²	79	113.2 Å²	113.2	37%	0.369	54%	0.539	S	S	.	.	H	α-helix	trans	-66.7	-36.7	174.7	-79.5	-166.3	-152.4	0	0	112.8	Q262 L263 T269 R270 K492	Q262-E266 WeakPolarHBondContact O-CB 3.49Å; Q262-E266 PolarHBondContact O-N 3.49Å; L263-E266 PolarHBondContact O-N 3.41Å; E266-T269 WeakPolarHBondContact CA-OG1 3.45Å; E266-T269 PolarHBondContact O-OG1 3.12Å; E266-R270 WeakPolarHBondContact O-CB 3.4Å; E266-R270 WeakPolarHBondContact O-CG 3.49Å; E266-R270 PolarHBondContact O-N 3.48Å; E266-R270 VanDerWaalsContact O-N 3.11Å; E266-K492 IonicContact OE1-NZ 3.65Å; E266-K492 PolarHBondContact OE1-NZ 3.28Å; E266-K492 IonicContact OE2-NZ 2.65Å; E266-K492 PolarHBondContact OE2-NZ 3.07Å
267	L	96.7	Very high	96.6	Very high	113 Å²	113	111 Å²	111	59%	0.592	53%	0.534	S	S	*	.	H	α-helix	trans	-64.2	-49.4	172.5	-77.5	169.1	0	0	0	111.1	L263 E264 T269 R270 E271	L263-L267 WeakPolarHBondContact O-CB 3.43Å; L263-L267 VanDerWaalsContact O-CG 3.24Å; L263-L267 WeakPolarHBondContact O-CG 3.33Å; L263-L267 PolarHBondContact O-N 3.47Å; E264-L267 PolarHBondContact O-N 2.99Å; L267-T269 VanDerWaalsContact C-N 3.34Å; L267-T269 PolarHBondContact O-N 3.37Å; L267-R270 CarbonylContact O-C 3.58Å; L267-R270 WeakPolarHBondContact O-CA 3.19Å; L267-R270 WeakPolarHBondContact O-CB 3.38Å; L267-R270 PolarHBondContact O-N 3.18Å; L267-E271 WeakPolarHBondContact O-CG 3.49Å; L267-E271 PolarHBondContact O-N 3.1Å
268	K	97.8	Very high	96.7	Very high	150 Å²	150	108.3 Å²	108.3	65%	0.652	53%	0.526	S	S	*	.	H	α-helix	trans	-61.9	-39	-178.6	-175.2	175	-177.6	176.1	0	113.2	E264 E265 Q272	E264-K268 VanDerWaalsContact O-CB 3.27Å; E264-K268 WeakPolarHBondContact O-CB 3.42Å; E264-K268 PolarHBondContact O-N 3.3Å; E265-K268 PolarHBondContact O-N 3.34Å; K268-Q272 PolarHBondContact O-N 3.36Å
269	T	96.7	Very high	96.8	Very high	75 Å²	75	107.3 Å²	107.3	46%	0.46	52%	0.523	S	S	.	.	H	α-helix	trans	-66.8	-38.8	173.3	47.2	0	0	0	0	111.7	E265 E266 L267 Q272 E273	E265-T269 WeakPolarHBondContact O-CG2 3.21Å; E265-T269 PolarHBondContact O-N 3.22Å; E265-T269 PolarHBondContact O-OG1 2.82Å; E266-T269 WeakPolarHBondContact CA-OG1 3.45Å; E266-T269 PolarHBondContact O-OG1 3.12Å; L267-T269 VanDerWaalsContact C-N 3.34Å; L267-T269 PolarHBondContact O-N 3.37Å; T269-Q272 PolarHBondContact O-N 3.27Å; T269-E273 WeakPolarHBondContact O-CG 3.5Å; T269-E273 PolarHBondContact O-N 3.43Å
270	R	96.8	Very high	96.9	Very high	137 Å²	137	106.4 Å²	106.4	52%	0.517	52%	0.523	S	S	.	.	H	α-helix	trans	-67.8	-38.2	175.1	-74.9	-77.8	156.1	66.1	8.6	113.8	E266 L267 Q272 E273 L274	E266-R270 WeakPolarHBondContact O-CB 3.4Å; E266-R270 WeakPolarHBondContact O-CG 3.49Å; E266-R270 PolarHBondContact O-N 3.48Å; E266-R270 VanDerWaalsContact O-N 3.11Å; L267-R270 CarbonylContact O-C 3.58Å; L267-R270 WeakPolarHBondContact O-CA 3.19Å; L267-R270 WeakPolarHBondContact O-CB 3.38Å; L267-R270 PolarHBondContact O-N 3.18Å; R270-Q272 VanDerWaalsContact C-N 3.28Å; R270-Q272 PolarHBondContact O-N 3.09Å; R270-E273 WeakPolarHBondContact CD-OE2 3.43Å; R270-E273 IonicContact NE-OE2 2.78Å; R270-E273 PolarHBondContact NE-OE2 3.36Å; R270-E273 PolarHBondContact O-N 3.48Å; R270-L274 WeakPolarHBondContact O-CB 3.49Å; R270-L274 VanDerWaalsContact O-CG 3.31Å; R270-L274 WeakPolarHBondContact O-CG 3.34Å; R270-L274 PolarHBondContact O-N 3.47Å
271	E	96.7	Very high	96.9	Very high	130 Å²	130	110.2 Å²	110.2	61%	0.607	53%	0.532	S	S	*	.	H	α-helix	trans	-60.1	-40.9	171.8	-72.6	178.5	158.8	0	0	111.1	L267 L274 E275	L267-E271 WeakPolarHBondContact O-CG 3.49Å; L267-E271 PolarHBondContact O-N 3.1Å; E271-L274 PolarHBondContact O-N 3.49Å; E271-E275 PolarHBondContact O-N 2.97Å
272	Q	97.8	Very high	96.9	Very high	130 Å²	130	109.3 Å²	109.3	61%	0.607	53%	0.526	S	S	*	.	H	α-helix	trans	-69.3	-37.8	175.9	-165.9	173.2	10.7	0	0	112.7	K268 T269 R270 L274 N276	K268-Q272 PolarHBondContact O-N 3.36Å; T269-Q272 PolarHBondContact O-N 3.27Å; R270-Q272 VanDerWaalsContact C-N 3.28Å; R270-Q272 PolarHBondContact O-N 3.09Å; Q272-L274 VanDerWaalsContact C-N 3.34Å; Q272-N276 WeakPolarHBondContact O-CB 3.35Å; Q272-N276 PolarHBondContact O-N 3.28Å; Q272-N276 VanDerWaalsContact O-N 3.07Å; Q272-N276 PolarHBondContact O-ND2 3.35Å
273	E	97.2	Very high	96.9	Very high	104 Å²	104	109 Å²	109	49%	0.486	52%	0.524	S	S	.	.	H	α-helix	trans	-60.5	-42.1	170.1	-73.8	177.5	169.1	0	0	111.6	T269 R270 N276 T277	T269-E273 WeakPolarHBondContact O-CG 3.5Å; T269-E273 PolarHBondContact O-N 3.43Å; R270-E273 WeakPolarHBondContact CD-OE2 3.43Å; R270-E273 IonicContact NE-OE2 2.78Å; R270-E273 PolarHBondContact NE-OE2 3.36Å; R270-E273 PolarHBondContact O-N 3.48Å; E273-N276 PolarHBondContact O-N 3.25Å; E273-T277 PolarHBondContact O-N 2.84Å; E273-T277 PolarHBondContact O-OG1 3.49Å
274	L	95.7	Very high	97	Very high	105 Å²	105	108.5 Å²	108.5	55%	0.55	52%	0.522	S	S	.	.	H	α-helix	trans	-65.8	-49.2	177.8	-72.9	169.5	0	0	0	111.9	R270 E271 Q272 N276 T277 I278	R270-L274 WeakPolarHBondContact O-CB 3.49Å; R270-L274 VanDerWaalsContact O-CG 3.31Å; R270-L274 WeakPolarHBondContact O-CG 3.34Å; R270-L274 PolarHBondContact O-N 3.47Å; E271-L274 PolarHBondContact O-N 3.49Å; Q272-L274 VanDerWaalsContact C-N 3.34Å; L274-N276 VanDerWaalsContact C-N 3.26Å; L274-N276 PolarHBondContact O-N 3.49Å; L274-T277 PolarHBondContact O-N 3.48Å; L274-T277 VanDerWaalsContact O-N 3.12Å; L274-T277 PolarHBondContact O-OG1 2.93Å; L274-I278 WeakPolarHBondContact O-CB 3.49Å; L274-I278 VanDerWaalsContact O-CG1 3.3Å; L274-I278 WeakPolarHBondContact O-CG1 2.88Å; L274-I278 PolarHBondContact O-N 2.94Å
275	E	97.3	Very high	97	Very high	88 Å²	88	105 Å²	105	41%	0.411	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-33.8	178	-174.7	54.9	-152.3	0	0	112	E271 N279 K282	E271-E275 PolarHBondContact O-N 2.97Å; E275-N279 WeakPolarHBondContact O-CB 3.26Å; E275-N279 PolarHBondContact O-N 3.07Å; E275-N279 PolarHBondContact O-ND2 2.95Å; E275-N279 PolarHBondContact OE1-ND2 3.44Å; E275-N279 PolarHBondContact OE1-OD1 3.4Å; E275-K282 IonicContact OE1-NZ 2.68Å; E275-K282 PolarHBondContact OE1-NZ 3.28Å
276	N	97.2	Very high	97	Very high	102 Å²	102	102 Å²	102	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-63.8	-43.8	172.4	-77.6	-34.7	0	0	0	112.6	Q272 E273 L274 K280	Q272-N276 WeakPolarHBondContact O-CB 3.35Å; Q272-N276 PolarHBondContact O-N 3.28Å; Q272-N276 VanDerWaalsContact O-N 3.07Å; Q272-N276 PolarHBondContact O-ND2 3.35Å; E273-N276 PolarHBondContact O-N 3.25Å; L274-N276 VanDerWaalsContact C-N 3.26Å; L274-N276 PolarHBondContact O-N 3.49Å; N276-K280 WeakPolarHBondContact O-CB 3.17Å; N276-K280 PolarHBondContact O-N 3.1Å; N276-K280 VanDerWaalsContact O-N 3.07Å
277	T	95.6	Very high	97	Very high	86 Å²	86	105.6 Å²	105.6	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-69.7	-39.1	177.4	54.2	0	0	0	0	112.1	E273 L274 N279 K280 Q281	E273-T277 PolarHBondContact O-N 2.84Å; E273-T277 PolarHBondContact O-OG1 3.49Å; L274-T277 PolarHBondContact O-N 3.48Å; L274-T277 VanDerWaalsContact O-N 3.12Å; L274-T277 PolarHBondContact O-OG1 2.93Å; T277-N279 PolarHBondContact O-N 3.37Å; T277-K280 PolarHBondContact O-N 3.25Å; T277-Q281 PolarHBondContact O-N 2.65Å
278	I	97.8	Very high	97	Very high	72 Å²	72	105 Å²	105	37%	0.369	50%	0.503	S	S	.	.	H	α-helix	trans	-58.8	-46	173.4	-74.3	167.2	0	0	0	111.1	L274 Q281 K282	L274-I278 WeakPolarHBondContact O-CB 3.49Å; L274-I278 VanDerWaalsContact O-CG1 3.3Å; L274-I278 WeakPolarHBondContact O-CG1 2.88Å; L274-I278 PolarHBondContact O-N 2.94Å; I278-Q281 WeakPolarHBondContact O-CB 3.4Å; I278-Q281 PolarHBondContact O-N 3Å; I278-K282 HydrophobicContact CG2-CD 4.49Å; I278-K282 WeakPolarHBondContact O-CG 3.38Å; I278-K282 PolarHBondContact O-N 3.33Å
279	N	97.6	Very high	97	Very high	71 Å²	71	104.5 Å²	104.5	38%	0.38	50%	0.497	S	S	.	.	H	α-helix	trans	-68.3	-35.9	177.9	-73.8	-44.8	0	0	0	113	E275 T277 Q281 K282 E283	E275-N279 WeakPolarHBondContact O-CB 3.26Å; E275-N279 PolarHBondContact O-N 3.07Å; E275-N279 PolarHBondContact O-ND2 2.95Å; E275-N279 PolarHBondContact OE1-ND2 3.44Å; E275-N279 PolarHBondContact OE1-OD1 3.4Å; T277-N279 PolarHBondContact O-N 3.37Å; N279-Q281 VanDerWaalsContact C-N 3.34Å; N279-K282 WeakPolarHBondContact O-CB 3.39Å; N279-K282 PolarHBondContact O-N 3.13Å; N279-K282 WeakPolarHBondContact OD1-CD 3.45Å; N279-K282 PolarHBondContact OD1-NZ 2.9Å; N279-E283 PolarHBondContact O-N 3.24Å
280	K	97.8	Very high	97	Very high	138 Å²	138	104.4 Å²	104.4	60%	0.6	50%	0.497	S	S	*	.	H	α-helix	trans	-66.1	-34.7	172.3	-166.7	168.4	-175.3	173.3	0	112.5	N276 T277 E283 L284	N276-K280 WeakPolarHBondContact O-CB 3.17Å; N276-K280 PolarHBondContact O-N 3.1Å; N276-K280 VanDerWaalsContact O-N 3.07Å; T277-K280 PolarHBondContact O-N 3.25Å; K280-E283 PolarHBondContact O-N 2.9Å; K280-L284 WeakPolarHBondContact O-CG 3.23Å; K280-L284 PolarHBondContact O-N 2.82Å
281	Q	95.5	Very high	97	Very high	116 Å²	116	102.4 Å²	102.4	54%	0.542	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-46.3	170.6	-177.8	-177.8	-34.8	0	0	111.3	T277 I278 N279 E283 L284 E285	T277-Q281 PolarHBondContact O-N 2.65Å; I278-Q281 WeakPolarHBondContact O-CB 3.4Å; I278-Q281 PolarHBondContact O-N 3Å; N279-Q281 VanDerWaalsContact C-N 3.34Å; Q281-E283 VanDerWaalsContact C-N 3.27Å; Q281-E283 PolarHBondContact O-N 3.27Å; Q281-L284 PolarHBondContact O-N 3.03Å; Q281-L284 VanDerWaalsContact O-N 3.15Å; Q281-E285 HydrophobicContact CG-CG 4.39Å; Q281-E285 PolarHBondContact NE2-OE1 3.49Å; Q281-E285 WeakPolarHBondContact O-CG 3.43Å; Q281-E285 PolarHBondContact O-N 3.31Å
282	K	97.7	Very high	97	Very high	101 Å²	101	100.3 Å²	100.3	44%	0.439	49%	0.489	S	S	.	.	H	α-helix	trans	-55.6	-41.1	176	-65.9	167.9	-161.6	156.9	0	111.5	E275 I278 N279 E285 T286	E275-K282 IonicContact OE1-NZ 2.68Å; E275-K282 PolarHBondContact OE1-NZ 3.28Å; I278-K282 HydrophobicContact CG2-CD 4.49Å; I278-K282 WeakPolarHBondContact O-CG 3.38Å; I278-K282 PolarHBondContact O-N 3.33Å; N279-K282 WeakPolarHBondContact O-CB 3.39Å; N279-K282 PolarHBondContact O-N 3.13Å; N279-K282 WeakPolarHBondContact OD1-CD 3.45Å; N279-K282 PolarHBondContact OD1-NZ 2.9Å; K282-E285 PolarHBondContact O-N 3.41Å; K282-T286 WeakPolarHBondContact O-CG2 3.2Å; K282-T286 PolarHBondContact O-N 3.32Å; K282-T286 PolarHBondContact O-OG1 2.58Å
283	E	97.8	Very high	96.9	Very high	109 Å²	109	97.7 Å²	97.7	51%	0.509	48%	0.484	S	S	.	.	H	α-helix	trans	-65.1	-44.3	175.9	-165.6	-158.1	148.5	0	0	112.6	N279 K280 Q281 T286 R287	N279-E283 PolarHBondContact O-N 3.24Å; K280-E283 PolarHBondContact O-N 2.9Å; Q281-E283 VanDerWaalsContact C-N 3.27Å; Q281-E283 PolarHBondContact O-N 3.27Å; E283-T286 PolarHBondContact O-N 3.17Å; E283-T286 PolarHBondContact O-OG1 3.46Å; E283-R287 WeakPolarHBondContact O-CB 3.47Å; E283-R287 PolarHBondContact O-N 2.96Å
284	L	96.3	Very high	96.9	Very high	97 Å²	97	97.7 Å²	97.7	51%	0.508	48%	0.484	S	S	.	.	H	α-helix	trans	-65.9	-38.6	177	-69.3	172	0	0	0	111.6	K280 Q281 R287 I288	K280-L284 WeakPolarHBondContact O-CG 3.23Å; K280-L284 PolarHBondContact O-N 2.82Å; Q281-L284 PolarHBondContact O-N 3.03Å; Q281-L284 VanDerWaalsContact O-N 3.15Å; L284-R287 PolarHBondContact O-N 2.96Å; L284-I288 WeakPolarHBondContact O-CB 3.32Å; L284-I288 WeakPolarHBondContact O-CD1 3.11Å; L284-I288 VanDerWaalsContact O-CG1 3.25Å; L284-I288 WeakPolarHBondContact O-CG1 3.38Å; L284-I288 PolarHBondContact O-N 2.84Å
285	E	96.6	Very high	96.9	Very high	64 Å²	64	97.1 Å²	97.1	30%	0.299	48%	0.478	S	S	.	.	H	α-helix	trans	-63.8	-44	174.8	-77.3	-177.4	-152.9	0	0	112.9	Q281 K282 R287 I288 R289	Q281-E285 HydrophobicContact CG-CG 4.39Å; Q281-E285 PolarHBondContact NE2-OE1 3.49Å; Q281-E285 WeakPolarHBondContact O-CG 3.43Å; Q281-E285 PolarHBondContact O-N 3.31Å; K282-E285 PolarHBondContact O-N 3.41Å; E285-R287 VanDerWaalsContact C-N 3.33Å; E285-I288 PolarHBondContact O-N 3.41Å; E285-R289 VanDerWaalsContact O-CG 3.26Å; E285-R289 WeakPolarHBondContact O-CG 3.24Å; E285-R289 PolarHBondContact O-N 3.42Å; E285-R289 IonicContact OE2-CZ 2.75Å; E285-R289 IonicContact OE2-NH1 2.68Å; E285-R289 IonicContact OE2-NH2 3.52Å; E285-R289 PolarHBondContact OE2-NH2 2.95Å
286	T	97.1	Very high	96.8	Very high	75 Å²	75	96.5 Å²	96.5	46%	0.46	48%	0.481	S	S	.	.	H	α-helix	trans	-65.4	-39.1	176.1	54.2	0	0	0	0	111.2	K282 E283 R289 T290	K282-T286 WeakPolarHBondContact O-CG2 3.2Å; K282-T286 PolarHBondContact O-N 3.32Å; K282-T286 PolarHBondContact O-OG1 2.58Å; E283-T286 PolarHBondContact O-N 3.17Å; E283-T286 PolarHBondContact O-OG1 3.46Å; T286-R289 WeakPolarHBondContact O-CB 3.21Å; T286-R289 PolarHBondContact O-N 3.09Å; T286-T290 PolarHBondContact O-N 3.45Å
287	R	98.1	Very high	96.8	Very high	154 Å²	154	96.2 Å²	96.2	58%	0.581	48%	0.479	S	S	*	.	H	α-helix	trans	-66.2	-36.3	176.1	-164.2	170.3	-171.2	149.9	1.6	113.3	E283 L284 E285 T290 L291	E283-R287 WeakPolarHBondContact O-CB 3.47Å; E283-R287 PolarHBondContact O-N 2.96Å; L284-R287 PolarHBondContact O-N 2.96Å; E285-R287 VanDerWaalsContact C-N 3.33Å; R287-T290 PolarHBondContact O-OG1 3.09Å; R287-L291 HydrophobicContact CG-CD1 4.33Å; R287-L291 WeakPolarHBondContact O-CB 3.39Å; R287-L291 VanDerWaalsContact O-CG 3.26Å; R287-L291 WeakPolarHBondContact O-CG 3.32Å; R287-L291 PolarHBondContact O-N 3.14Å; R287-L291 VanDerWaalsContact O-N 3.07Å
288	I	96.3	Very high	96.8	Very high	100 Å²	100	96.5 Å²	96.5	51%	0.513	48%	0.477	S	S	.	.	H	α-helix	trans	-66.2	-40.4	171.5	-71.6	163.9	0	0	0	110.5	L284 E285 N292	L284-I288 WeakPolarHBondContact O-CB 3.32Å; L284-I288 WeakPolarHBondContact O-CD1 3.11Å; L284-I288 VanDerWaalsContact O-CG1 3.25Å; L284-I288 WeakPolarHBondContact O-CG1 3.38Å; L284-I288 PolarHBondContact O-N 2.84Å; E285-I288 PolarHBondContact O-N 3.41Å; I288-N292 WeakPolarHBondContact O-CB 3.42Å; I288-N292 VanDerWaalsContact O-CG 3.29Å; I288-N292 PolarHBondContact O-N 2.9Å; I288-N292 PolarHBondContact O-ND2 2.85Å
289	R	96.9	Very high	96.8	Very high	140 Å²	140	99.1 Å²	99.1	53%	0.528	48%	0.482	S	S	.	.	H	α-helix	trans	-61.9	-46.4	175.7	-70.3	166.1	-171.2	133.4	12.1	111.6	E285 T286 N292 C293	E285-R289 VanDerWaalsContact O-CG 3.26Å; E285-R289 WeakPolarHBondContact O-CG 3.24Å; E285-R289 PolarHBondContact O-N 3.42Å; E285-R289 IonicContact OE2-CZ 2.75Å; E285-R289 IonicContact OE2-NH1 2.68Å; E285-R289 IonicContact OE2-NH2 3.52Å; E285-R289 PolarHBondContact OE2-NH2 2.95Å; T286-R289 WeakPolarHBondContact O-CB 3.21Å; T286-R289 PolarHBondContact O-N 3.09Å; R289-N292 PolarHBondContact O-N 2.79Å; R289-C293 PolarHBondContact O-N 3.1Å; R289-C293 VanDerWaalsContact O-N 3.09Å; R289-C293 PolarHBondContact O-SG 3.31Å; R289-C293 VanDerWaalsContact O-SG 3.36Å
290	T	97.3	Very high	96.8	Very high	74 Å²	74	100.7 Å²	100.7	45%	0.454	49%	0.487	S	S	.	.	H	α-helix	trans	-64.6	-46.5	178.4	57.1	0	0	0	0	112.2	T286 R287 N292 C293 E294	T286-T290 PolarHBondContact O-N 3.45Å; R287-T290 PolarHBondContact O-OG1 3.09Å; T290-N292 VanDerWaalsContact C-N 3.28Å; T290-N292 PolarHBondContact O-N 3.46Å; T290-C293 WeakPolarHBondContact O-CB 3.5Å; T290-C293 PolarHBondContact O-N 3.24Å; T290-C293 VanDerWaalsContact O-N 3.11Å; T290-E294 WeakPolarHBondContact O-CG 3.16Å; T290-E294 PolarHBondContact O-N 2.93Å
291	L	96.8	Very high	96.7	Very high	95 Å²	95	99.4 Å²	99.4	50%	0.497	48%	0.483	S	S	.	.	H	α-helix	trans	-60.8	-36.3	177.2	-72.3	169.9	0	0	0	112.3	R287 Q295	R287-L291 HydrophobicContact CG-CD1 4.33Å; R287-L291 WeakPolarHBondContact O-CB 3.39Å; R287-L291 VanDerWaalsContact O-CG 3.26Å; R287-L291 WeakPolarHBondContact O-CG 3.32Å; R287-L291 PolarHBondContact O-N 3.14Å; R287-L291 VanDerWaalsContact O-N 3.07Å; L291-Q295 VanDerWaalsContact O-CB 3.27Å; L291-Q295 WeakPolarHBondContact O-CB 3.36Å; L291-Q295 PolarHBondContact O-N 3.32Å
292	N	96.4	Very high	96.7	Very high	86 Å²	86	97.5 Å²	97.5	46%	0.46	48%	0.477	S	S	.	.	H	α-helix	trans	-66.3	-41.6	174	-79.3	-28.7	0	0	0	112.2	I288 R289 T290 Q295 T296	I288-N292 WeakPolarHBondContact O-CB 3.42Å; I288-N292 VanDerWaalsContact O-CG 3.29Å; I288-N292 PolarHBondContact O-N 2.9Å; I288-N292 PolarHBondContact O-ND2 2.85Å; R289-N292 PolarHBondContact O-N 2.79Å; T290-N292 VanDerWaalsContact C-N 3.28Å; T290-N292 PolarHBondContact O-N 3.46Å; N292-Q295 PolarHBondContact O-N 2.98Å; N292-T296 PolarHBondContact O-N 2.95Å; N292-T296 PolarHBondContact O-OG1 3.34Å
293	C	96.8	Very high	96.7	Very high	75 Å²	75	100 Å²	100	51%	0.507	48%	0.483	S	S	.	.	H	α-helix	trans	-63.3	-43	174.9	-68.8	0	0	0	0	112.3	R289 T290 T296 N297	R289-C293 PolarHBondContact O-N 3.1Å; R289-C293 VanDerWaalsContact O-N 3.09Å; R289-C293 PolarHBondContact O-SG 3.31Å; R289-C293 VanDerWaalsContact O-SG 3.36Å; T290-C293 WeakPolarHBondContact O-CB 3.5Å; T290-C293 PolarHBondContact O-N 3.24Å; T290-C293 VanDerWaalsContact O-N 3.11Å; C293-T296 WeakPolarHBondContact CA-OG1 3.43Å; C293-T296 PolarHBondContact O-N 3.11Å; C293-T296 PolarHBondContact O-OG1 2.91Å; C293-N297 VanDerWaalsContact O-CG 3.24Å; C293-N297 PolarHBondContact O-N 3.45Å; C293-N297 PolarHBondContact O-OD1 2.93Å
294	E	96.9	Very high	96.6	Very high	103 Å²	103	100.1 Å²	100.1	48%	0.481	48%	0.484	S	S	.	.	H	α-helix	trans	-60.4	-45.2	172.7	-71.4	168.9	-164.9	0	0	111.2	T290 T296 N297 I298	T290-E294 WeakPolarHBondContact O-CG 3.16Å; T290-E294 PolarHBondContact O-N 2.93Å; E294-T296 VanDerWaalsContact C-N 3.33Å; E294-T296 PolarHBondContact O-N 2.92Å; E294-N297 PolarHBondContact O-N 2.89Å; E294-N297 VanDerWaalsContact O-N 3.17Å; E294-I298 WeakPolarHBondContact O-CG1 3.16Å; E294-I298 PolarHBondContact O-N 2.82Å
295	Q	95.8	Very high	96.6	Very high	93 Å²	93	100.9 Å²	100.9	44%	0.435	49%	0.488	S	S	.	.	H	α-helix	trans	-64.4	-34.2	178.1	-162.3	-174.8	73.2	0	0	112.4	L291 N292 R299	L291-Q295 VanDerWaalsContact O-CB 3.27Å; L291-Q295 WeakPolarHBondContact O-CB 3.36Å; L291-Q295 PolarHBondContact O-N 3.32Å; N292-Q295 PolarHBondContact O-N 2.98Å; Q295-R299 VanDerWaalsContact CD-NH2 3.33Å; Q295-R299 WeakPolarHBondContact O-CB 3.34Å; Q295-R299 VanDerWaalsContact O-CG 3.25Å; Q295-R299 WeakPolarHBondContact O-CG 3.33Å; Q295-R299 PolarHBondContact O-N 2.73Å
296	T	95.3	Very high	96.6	Very high	75 Å²	75	106.7 Å²	106.7	46%	0.46	51%	0.507	S	S	.	.	H	α-helix	trans	-67.8	-42.3	171.1	43.6	0	0	0	0	112.4	N292 C293 E294 I298 R299 E300	N292-T296 PolarHBondContact O-N 2.95Å; N292-T296 PolarHBondContact O-OG1 3.34Å; C293-T296 WeakPolarHBondContact CA-OG1 3.43Å; C293-T296 PolarHBondContact O-N 3.11Å; C293-T296 PolarHBondContact O-OG1 2.91Å; E294-T296 VanDerWaalsContact C-N 3.33Å; E294-T296 PolarHBondContact O-N 2.92Å; T296-I298 PolarHBondContact O-N 3.13Å; T296-R299 WeakPolarHBondContact O-CB 3.47Å; T296-R299 PolarHBondContact O-N 2.92Å; T296-E300 PolarHBondContact O-N 3.04Å
297	N	97.1	Very high	96.6	Very high	97 Å²	97	111.6 Å²	111.6	52%	0.519	52%	0.517	S	S	.	.	H	α-helix	trans	-62.3	-44.5	177.5	-67.5	-12.1	0	0	0	111.4	C293 E294 R299 E300 Q301	C293-N297 VanDerWaalsContact O-CG 3.24Å; C293-N297 PolarHBondContact O-N 3.45Å; C293-N297 PolarHBondContact O-OD1 2.93Å; E294-N297 PolarHBondContact O-N 2.89Å; E294-N297 VanDerWaalsContact O-N 3.17Å; N297-R299 PolarHBondContact O-N 3.35Å; N297-E300 PolarHBondContact O-N 2.88Å; N297-Q301 WeakPolarHBondContact O-CG 3.32Å; N297-Q301 PolarHBondContact O-N 3.47Å
298	I	95.8	Very high	96.5	Very high	92 Å²	92	108.8 Å²	108.8	47%	0.472	51%	0.513	S	S	.	.	H	α-helix	trans	-64.2	-39.6	177.1	-67.6	165.7	0	0	0	111.2	E294 T296 E300 N302	E294-I298 WeakPolarHBondContact O-CG1 3.16Å; E294-I298 PolarHBondContact O-N 2.82Å; T296-I298 PolarHBondContact O-N 3.13Å; I298-E300 VanDerWaalsContact C-N 3.32Å; I298-E300 PolarHBondContact O-N 2.91Å; I298-N302 WeakPolarHBondContact O-CB 3.35Å; I298-N302 PolarHBondContact O-N 3.39Å; I298-N302 PolarHBondContact O-ND2 3.4Å
299	R	96.9	Very high	96.5	Very high	126 Å²	126	109.1 Å²	109.1	48%	0.475	52%	0.516	S	S	.	.	H	α-helix	trans	-61.5	-39.8	172.7	-78.4	173.8	179.4	121.7	2.9	111.9	Q295 T296 N297 N302 R303	Q295-R299 VanDerWaalsContact CD-NH2 3.33Å; Q295-R299 WeakPolarHBondContact O-CB 3.34Å; Q295-R299 VanDerWaalsContact O-CG 3.25Å; Q295-R299 WeakPolarHBondContact O-CG 3.33Å; Q295-R299 PolarHBondContact O-N 2.73Å; T296-R299 WeakPolarHBondContact O-CB 3.47Å; T296-R299 PolarHBondContact O-N 2.92Å; N297-R299 PolarHBondContact O-N 3.35Å; R299-N302 PolarHBondContact O-N 3.23Å; R299-R303 WeakPolarHBondContact O-CG 3.48Å; R299-R303 PolarHBondContact O-N 3.17Å
300	E	96.9	Very high	96.5	Very high	105 Å²	105	105.4 Å²	105.4	49%	0.491	51%	0.512	S	S	.	.	H	α-helix	trans	-71.6	-43.7	-179.1	-165.8	132.1	-94.2	0	0	112.4	T296 N297 I298 N302 R303 Q304	T296-E300 PolarHBondContact O-N 3.04Å; N297-E300 PolarHBondContact O-N 2.88Å; I298-E300 VanDerWaalsContact C-N 3.32Å; I298-E300 PolarHBondContact O-N 2.91Å; E300-N302 VanDerWaalsContact C-N 3.32Å; E300-N302 PolarHBondContact O-N 2.99Å; E300-R303 WeakPolarHBondContact O-CB 3.06Å; E300-R303 PolarHBondContact O-N 2.74Å; E300-R303 VanDerWaalsContact O-N 3.12Å; E300-R303 IonicContact OE1-NH1 3.84Å; E300-Q304 WeakPolarHBondContact O-CG 3.25Å; E300-Q304 PolarHBondContact O-N 3.44Å
301	Q	96.4	Very high	96.4	Very high	111 Å²	111	107 Å²	107	52%	0.519	51%	0.514	S	S	.	.	H	α-helix	trans	-58.2	-43.1	170.4	-71.5	174.9	-12.8	0	0	111.6	N297 R303 Q304 L305	N297-Q301 WeakPolarHBondContact O-CG 3.32Å; N297-Q301 PolarHBondContact O-N 3.47Å; Q301-R303 VanDerWaalsContact C-N 3.33Å; Q301-R303 PolarHBondContact O-N 2.97Å; Q301-Q304 WeakPolarHBondContact O-CB 3.33Å; Q301-Q304 PolarHBondContact O-N 2.91Å; Q301-Q304 VanDerWaalsContact O-N 3.16Å; Q301-L305 WeakPolarHBondContact O-CG 2.91Å; Q301-L305 PolarHBondContact O-N 3.14Å
302	N	95.9	Very high	96.4	Very high	76 Å²	76	107 Å²	107	41%	0.406	51%	0.514	S	S	.	.	H	α-helix	trans	-62.7	-36	174.6	-88.3	-84.4	0	0	0	112.9	I298 R299 E300 R306	I298-N302 WeakPolarHBondContact O-CB 3.35Å; I298-N302 PolarHBondContact O-N 3.39Å; I298-N302 PolarHBondContact O-ND2 3.4Å; R299-N302 PolarHBondContact O-N 3.23Å; E300-N302 VanDerWaalsContact C-N 3.32Å; E300-N302 PolarHBondContact O-N 2.99Å; N302-R306 WeakPolarHBondContact O-CB 3.32Å; N302-R306 VanDerWaalsContact O-CG 3.27Å; N302-R306 WeakPolarHBondContact O-CG 3.35Å; N302-R306 PolarHBondContact O-N 2.93Å
303	R	96.5	Very high	96.4	Very high	153 Å²	153	107.9 Å²	107.9	58%	0.577	52%	0.515	S	S	*	.	H	α-helix	trans	-64.9	-40.4	172.3	-73.2	167.1	173.6	171.4	-3.1	111.8	R299 E300 Q301 R307	R299-R303 WeakPolarHBondContact O-CG 3.48Å; R299-R303 PolarHBondContact O-N 3.17Å; E300-R303 WeakPolarHBondContact O-CB 3.06Å; E300-R303 PolarHBondContact O-N 2.74Å; E300-R303 VanDerWaalsContact O-N 3.12Å; E300-R303 IonicContact OE1-NH1 3.84Å; Q301-R303 VanDerWaalsContact C-N 3.33Å; Q301-R303 PolarHBondContact O-N 2.97Å; R303-R307 WeakPolarHBondContact O-CG 3.34Å; R303-R307 PolarHBondContact O-N 3.14Å; R303-R307 VanDerWaalsContact O-N 3.1Å
304	Q	97.1	Very high	96.4	Very high	112 Å²	112	110.3 Å²	110.3	52%	0.523	52%	0.519	S	S	.	.	H	α-helix	trans	-64.4	-48.5	176	-68	173.7	-2	0	0	111.4	E300 Q301 R306 R307 L308	E300-Q304 WeakPolarHBondContact O-CG 3.25Å; E300-Q304 PolarHBondContact O-N 3.44Å; Q301-Q304 WeakPolarHBondContact O-CB 3.33Å; Q301-Q304 PolarHBondContact O-N 2.91Å; Q301-Q304 VanDerWaalsContact O-N 3.16Å; Q304-R306 VanDerWaalsContact C-N 3.35Å; Q304-R306 PolarHBondContact O-N 3.06Å; Q304-R307 PolarHBondContact O-N 2.74Å; Q304-L308 PolarHBondContact O-N 3.31Å
305	L	96.3	Very high	96.3	Very high	113 Å²	113	111.4 Å²	111.4	59%	0.592	52%	0.524	S	S	*	.	H	α-helix	trans	-59.9	-41.5	176.7	-70.7	172.4	0	0	0	112.3	Q301 L308 N309	Q301-L305 WeakPolarHBondContact O-CG 2.91Å; Q301-L305 PolarHBondContact O-N 3.14Å; L305-L308 PolarHBondContact O-N 3.2Å; L305-N309 WeakPolarHBondContact O-CB 3.41Å; L305-N309 PolarHBondContact O-N 2.92Å
306	R	96.2	Very high	96.3	Very high	186 Å²	186	111.4 Å²	111.4	70%	0.702	53%	0.53	S	S	*	.	H	α-helix	trans	-61.6	-44.1	174.7	-75.3	176.3	-176.9	-155.7	-0.2	112.3	N302 Q304 N309 S310	N302-R306 WeakPolarHBondContact O-CB 3.32Å; N302-R306 VanDerWaalsContact O-CG 3.27Å; N302-R306 WeakPolarHBondContact O-CG 3.35Å; N302-R306 PolarHBondContact O-N 2.93Å; Q304-R306 VanDerWaalsContact C-N 3.35Å; Q304-R306 PolarHBondContact O-N 3.06Å; R306-N309 PolarHBondContact O-N 3.38Å; R306-S310 PolarHBondContact O-N 3.21Å; R306-S310 PolarHBondContact O-OG 3.15Å
307	R	96.8	Very high	96.4	Very high	178 Å²	178	112.5 Å²	112.5	67%	0.672	53%	0.53	S	S	*	.	H	α-helix	trans	-60	-46.3	175.5	-72.8	173.5	179.9	178.9	0.7	112.1	R303 Q304 N309 S310 Q311	R303-R307 WeakPolarHBondContact O-CG 3.34Å; R303-R307 PolarHBondContact O-N 3.14Å; R303-R307 VanDerWaalsContact O-N 3.1Å; Q304-R307 PolarHBondContact O-N 2.74Å; R307-N309 VanDerWaalsContact C-N 3.35Å; R307-N309 PolarHBondContact O-N 2.86Å; R307-S310 PolarHBondContact O-N 3.31Å; R307-Q311 WeakPolarHBondContact O-CG 3.41Å; R307-Q311 PolarHBondContact O-N 2.6Å
308	L	96.6	Very high	96.3	Very high	94 Å²	94	110.1 Å²	110.1	49%	0.492	52%	0.521	S	S	.	.	H	α-helix	trans	-60.7	-42.1	175.7	-92.6	149.3	0	0	0	112	Q304 L305 Q311 L312	Q304-L308 PolarHBondContact O-N 3.31Å; L305-L308 PolarHBondContact O-N 3.2Å; L308-Q311 PolarHBondContact O-N 2.8Å; L308-L312 WeakPolarHBondContact O-CG 3.47Å; L308-L312 PolarHBondContact O-N 2.89Å
309	N	95.9	Very high	96.2	Very high	108 Å²	108	108.6 Å²	108.6	58%	0.578	52%	0.519	S	S	*	.	H	α-helix	trans	-66	-41.5	178.6	-161	36.8	0	0	0	111.9	L305 R306 R307 L312 Q313	L305-N309 WeakPolarHBondContact O-CB 3.41Å; L305-N309 PolarHBondContact O-N 2.92Å; R306-N309 PolarHBondContact O-N 3.38Å; R307-N309 VanDerWaalsContact C-N 3.35Å; R307-N309 PolarHBondContact O-N 2.86Å; N309-L312 PolarHBondContact O-N 3.29Å; N309-Q313 WeakPolarHBondContact O-CB 3.46Å; N309-Q313 PolarHBondContact O-N 3.35Å
310	S	96.4	Very high	96.2	Very high	62 Å²	62	110.2 Å²	110.2	43%	0.434	53%	0.525	S	S	.	.	H	α-helix	trans	-60.8	-45.3	172.4	-62.8	0	0	0	0	112.2	R306 R307 L312 Q313 E314	R306-S310 PolarHBondContact O-N 3.21Å; R306-S310 PolarHBondContact O-OG 3.15Å; R307-S310 PolarHBondContact O-N 3.31Å; S310-L312 VanDerWaalsContact C-N 3.34Å; S310-L312 PolarHBondContact O-N 2.96Å; S310-Q313 PolarHBondContact O-N 2.84Å; S310-E314 WeakPolarHBondContact O-CG 3.47Å; S310-E314 PolarHBondContact O-N 2.7Å
311	Q	96.8	Very high	96.2	Very high	108 Å²	108	111.8 Å²	111.8	51%	0.505	53%	0.532	S	S	.	.	H	α-helix	trans	-62	-39.2	176.8	-73.4	174.4	-24.1	0	0	112.7	R307 L308 Q315	R307-Q311 WeakPolarHBondContact O-CG 3.41Å; R307-Q311 PolarHBondContact O-N 2.6Å; L308-Q311 PolarHBondContact O-N 2.8Å; Q311-Q315 VanDerWaalsContact O-CG 3.32Å; Q311-Q315 WeakPolarHBondContact O-CG 3.06Å; Q311-Q315 PolarHBondContact O-N 3.27Å
312	L	96.3	Very high	96.2	Very high	93 Å²	93	114.1 Å²	114.1	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-67.5	-39.3	174.7	-72.2	169.8	0	0	0	111.6	L308 N309 S310 Q315 V316	L308-L312 WeakPolarHBondContact O-CG 3.47Å; L308-L312 PolarHBondContact O-N 2.89Å; N309-L312 PolarHBondContact O-N 3.29Å; S310-L312 VanDerWaalsContact C-N 3.34Å; S310-L312 PolarHBondContact O-N 2.96Å; L312-Q315 PolarHBondContact O-N 3.33Å; L312-V316 WeakPolarHBondContact O-CG2 3.42Å; L312-V316 PolarHBondContact O-N 2.85Å
313	Q	95.6	Very high	96.1	Very high	106 Å²	106	115.9 Å²	115.9	50%	0.495	55%	0.545	S	S	.	.	H	α-helix	trans	-63.9	-46.4	174.7	-176.1	175.6	-18.1	0	0	111.7	N309 S310 Q315 V316 E317	N309-Q313 WeakPolarHBondContact O-CB 3.46Å; N309-Q313 PolarHBondContact O-N 3.35Å; S310-Q313 PolarHBondContact O-N 2.84Å; Q313-Q315 VanDerWaalsContact C-N 3.29Å; Q313-Q315 PolarHBondContact O-N 2.68Å; Q313-V316 PolarHBondContact O-N 3.33Å; Q313-V316 VanDerWaalsContact O-N 3.15Å; Q313-E317 HydrophobicContact CG-CG 4.45Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.43Å; Q313-E317 PolarHBondContact NE2-OE1 2.82Å; Q313-E317 WeakPolarHBondContact O-CB 3.08Å; Q313-E317 WeakPolarHBondContact O-CG 3.2Å; Q313-E317 PolarHBondContact O-N 2.92Å
314	E	96.1	Very high	96.1	Very high	126 Å²	126	112 Å²	112	59%	0.589	53%	0.534	S	S	*	.	H	α-helix	trans	-57.1	-40.8	174	-73.2	168	-163.6	0	0	111.9	S310 S318	S310-E314 WeakPolarHBondContact O-CG 3.47Å; S310-E314 PolarHBondContact O-N 2.7Å; E314-S318 WeakPolarHBondContact O-CB 3.45Å; E314-S318 PolarHBondContact O-N 2.74Å
315	Q	96.2	Very high	96	Very high	126 Å²	126	109.4 Å²	109.4	59%	0.589	53%	0.528	S	S	*	.	H	α-helix	trans	-66.2	-42.8	175	-74.8	179.2	17	0	0	112.6	Q311 L312 Q313 S319	Q311-Q315 VanDerWaalsContact O-CG 3.32Å; Q311-Q315 WeakPolarHBondContact O-CG 3.06Å; Q311-Q315 PolarHBondContact O-N 3.27Å; L312-Q315 PolarHBondContact O-N 3.33Å; Q313-Q315 VanDerWaalsContact C-N 3.29Å; Q313-Q315 PolarHBondContact O-N 2.68Å; Q315-S319 WeakPolarHBondContact O-CB 3.27Å; Q315-S319 PolarHBondContact O-N 3.5Å
316	V	96.3	Very high	95.8	Very high	93 Å²	93	106 Å²	106	56%	0.564	52%	0.516	S	S	*	.	H	α-helix	trans	-62.6	-47.1	175.9	167.6	0	0	0	0	110.6	L312 Q313 S319 R320	L312-V316 WeakPolarHBondContact O-CG2 3.42Å; L312-V316 PolarHBondContact O-N 2.85Å; Q313-V316 PolarHBondContact O-N 3.33Å; Q313-V316 VanDerWaalsContact O-N 3.15Å; V316-S319 PolarHBondContact O-N 3.01Å; V316-S319 PolarHBondContact O-OG 2.8Å; V316-R320 WeakPolarHBondContact O-CB 3.4Å; V316-R320 PolarHBondContact O-N 2.92Å
317	E	95.9	Very high	95.8	Very high	97 Å²	97	101.9 Å²	101.9	45%	0.453	51%	0.507	S	S	.	.	H	α-helix	trans	-62.8	-46.9	177.5	-72.4	176.7	-164.4	0	0	111.3	Q313 S319 R320 E321	Q313-E317 HydrophobicContact CG-CG 4.45Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.43Å; Q313-E317 PolarHBondContact NE2-OE1 2.82Å; Q313-E317 WeakPolarHBondContact O-CB 3.08Å; Q313-E317 WeakPolarHBondContact O-CG 3.2Å; Q313-E317 PolarHBondContact O-N 2.92Å; E317-S319 VanDerWaalsContact C-N 3.28Å; E317-S319 PolarHBondContact O-N 3.06Å; E317-R320 WeakPolarHBondContact O-CB 3.15Å; E317-R320 PolarHBondContact O-N 3.43Å; E317-R320 VanDerWaalsContact O-N 3.09Å; E317-E321 WeakPolarHBondContact O-CG 3.33Å; E317-E321 PolarHBondContact O-N 2.96Å
318	S	96.1	Very high	95.7	Very high	48 Å²	48	101.9 Å²	101.9	34%	0.336	51%	0.507	S	S	.	.	H	α-helix	trans	-58.1	-36.4	173.2	179	0	0	0	0	113.2	E314 R322	E314-S318 WeakPolarHBondContact O-CB 3.45Å; E314-S318 PolarHBondContact O-N 2.74Å; S318-R322 WeakPolarHBondContact O-CG 3.13Å; S318-R322 PolarHBondContact O-N 3.28Å; S318-R322 PolarHBondContact O-NE 2.9Å; S318-R322 PolarHBondContact OG-NE 3.1Å; S318-R322 PolarHBondContact OG-NH2 2.95Å
319	S	93.6	Very high	95.7	Very high	60 Å²	60	103.2 Å²	103.2	42%	0.42	51%	0.511	S	S	.	.	H	α-helix	trans	-71.4	-38.9	175.6	80.2	0	0	0	0	112.2	Q315 V316 E317 R322 L323	Q315-S319 WeakPolarHBondContact O-CB 3.27Å; Q315-S319 PolarHBondContact O-N 3.5Å; V316-S319 PolarHBondContact O-N 3.01Å; V316-S319 PolarHBondContact O-OG 2.8Å; E317-S319 VanDerWaalsContact C-N 3.28Å; E317-S319 PolarHBondContact O-N 3.06Å; S319-R322 PolarHBondContact O-N 3.42Å; S319-L323 WeakPolarHBondContact O-CB 3.45Å; S319-L323 PolarHBondContact O-N 3.29Å
320	R	97.3	Very high	95.5	Very high	159 Å²	159	102.7 Å²	102.7	60%	0.6	51%	0.508	S	S	*	.	H	α-helix	trans	-65.1	-42	176.7	170.7	-174.9	169.5	108.5	-6.2	111.4	V316 E317 L323 Q324	V316-R320 WeakPolarHBondContact O-CB 3.4Å; V316-R320 PolarHBondContact O-N 2.92Å; E317-R320 WeakPolarHBondContact O-CB 3.15Å; E317-R320 PolarHBondContact O-N 3.43Å; E317-R320 VanDerWaalsContact O-N 3.09Å; R320-L323 PolarHBondContact O-N 3.18Å; R320-Q324 WeakPolarHBondContact O-CG 3.43Å; R320-Q324 PolarHBondContact O-N 2.96Å
321	E	95.5	Very high	95.5	Very high	138 Å²	138	103.2 Å²	103.2	65%	0.645	51%	0.511	S	S	*	.	H	α-helix	trans	-63.3	-46	174.7	-72.6	-170	144.9	0	0	112.1	E317 L323 Q324 S325	E317-E321 WeakPolarHBondContact O-CG 3.33Å; E317-E321 PolarHBondContact O-N 2.96Å; E321-L323 VanDerWaalsContact C-N 3.32Å; E321-L323 PolarHBondContact O-N 3.22Å; E321-Q324 PolarHBondContact O-N 3.03Å; E321-S325 WeakPolarHBondContact O-CB 3.47Å; E321-S325 PolarHBondContact O-N 3.03Å
322	R	96.3	Very high	95.5	Very high	160 Å²	160	103.1 Å²	103.1	60%	0.604	51%	0.514	S	S	*	.	H	α-helix	trans	-58	-43.9	174.2	-79.2	175.4	-83.1	161.4	-10.3	111.6	S318 S319 S325 A326	S318-R322 WeakPolarHBondContact O-CG 3.13Å; S318-R322 PolarHBondContact O-N 3.28Å; S318-R322 PolarHBondContact O-NE 2.9Å; S318-R322 PolarHBondContact OG-NE 3.1Å; S318-R322 PolarHBondContact OG-NH2 2.95Å; S319-R322 PolarHBondContact O-N 3.42Å; R322-S325 PolarHBondContact O-N 2.69Å; R322-A326 PolarHBondContact O-N 3.39Å
323	L	94.9	Very high	95.3	Very high	113 Å²	113	104.1 Å²	104.1	59%	0.592	52%	0.519	S	S	*	.	H	α-helix	trans	-62.8	-45.7	175.1	-168.7	76.7	0	0	0	112	S319 R320 E321 S325 A326 L327	S319-L323 WeakPolarHBondContact O-CB 3.45Å; S319-L323 PolarHBondContact O-N 3.29Å; R320-L323 PolarHBondContact O-N 3.18Å; E321-L323 VanDerWaalsContact C-N 3.32Å; E321-L323 PolarHBondContact O-N 3.22Å; L323-S325 VanDerWaalsContact C-N 3.32Å; L323-S325 PolarHBondContact O-N 2.98Å; L323-A326 PolarHBondContact O-N 3.22Å; L323-L327 HydrophobicContact CG-CD1 4.24Å; L323-L327 WeakPolarHBondContact O-CB 3.43Å; L323-L327 WeakPolarHBondContact O-CG 3.35Å; L323-L327 PolarHBondContact O-N 3.13Å
324	Q	95.4	Very high	95.2	Very high	73 Å²	73	105.8 Å²	105.8	34%	0.341	53%	0.527	S	S	.	.	H	α-helix	trans	-62.6	-38	176.8	-75.3	-170.6	13	0	0	112.4	R320 E321 L327 R328	R320-Q324 WeakPolarHBondContact O-CG 3.43Å; R320-Q324 PolarHBondContact O-N 2.96Å; E321-Q324 PolarHBondContact O-N 3.03Å; Q324-L327 PolarHBondContact O-N 3.24Å; Q324-R328 VanDerWaalsContact O-CG 3.29Å; Q324-R328 WeakPolarHBondContact O-CG 3.5Å; Q324-R328 PolarHBondContact O-N 2.99Å
325	S	95.2	Very high	95.1	Very high	57 Å²	57	102.3 Å²	102.3	40%	0.399	52%	0.52	S	S	.	.	H	α-helix	trans	-62.8	-47.5	175.1	-167.8	0	0	0	0	111.3	E321 R322 L323 L327 R328 Q329	E321-S325 WeakPolarHBondContact O-CB 3.47Å; E321-S325 PolarHBondContact O-N 3.03Å; R322-S325 PolarHBondContact O-N 2.69Å; L323-S325 VanDerWaalsContact C-N 3.32Å; L323-S325 PolarHBondContact O-N 2.98Å; S325-L327 PolarHBondContact O-N 2.96Å; S325-R328 PolarHBondContact O-N 3.18Å; S325-Q329 WeakPolarHBondContact O-CG 3.33Å; S325-Q329 PolarHBondContact O-N 3.42Å
326	A	93.4	Very high	94.9	Very high	41 Å²	41	100.3 Å²	100.3	34%	0.339	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-41.4	175.3	0	0	0	0	0	112.5	R322 L323 R328 Q329 L330	R322-A326 PolarHBondContact O-N 3.39Å; L323-A326 PolarHBondContact O-N 3.22Å; A326-R328 PolarHBondContact O-N 3.07Å; A326-Q329 PolarHBondContact O-N 2.97Å; A326-L330 WeakPolarHBondContact O-CG 3.35Å; A326-L330 PolarHBondContact O-N 2.7Å
327	L	95.5	Very high	94.7	Very high	100 Å²	100	98.4 Å²	98.4	52%	0.524	51%	0.507	S	S	.	.	H	α-helix	trans	-63.7	-39.2	175.5	-72.5	170	0	0	0	112.5	L323 Q324 S325 L330 S331	L323-L327 HydrophobicContact CG-CD1 4.24Å; L323-L327 WeakPolarHBondContact O-CB 3.43Å; L323-L327 WeakPolarHBondContact O-CG 3.35Å; L323-L327 PolarHBondContact O-N 3.13Å; Q324-L327 PolarHBondContact O-N 3.24Å; S325-L327 PolarHBondContact O-N 2.96Å; L327-L330 PolarHBondContact O-N 3.29Å; L327-S331 WeakPolarHBondContact O-CB 3.29Å; L327-S331 PolarHBondContact O-N 3.18Å
328	R	95.1	Very high	94.5	Very high	177 Å²	177	96.4 Å²	96.4	67%	0.668	51%	0.507	S	S	*	.	H	α-helix	trans	-63.8	-42	173.3	-71.4	169.7	-170.9	165	7.4	111.5	Q324 S325 A326 S331 L332	Q324-R328 VanDerWaalsContact O-CG 3.29Å; Q324-R328 WeakPolarHBondContact O-CG 3.5Å; Q324-R328 PolarHBondContact O-N 2.99Å; S325-R328 PolarHBondContact O-N 3.18Å; A326-R328 PolarHBondContact O-N 3.07Å; R328-S331 PolarHBondContact O-N 3.43Å; R328-L332 PolarHBondContact O-N 3.17Å
329	Q	95.4	Very high	94.3	Very high	123 Å²	123	100.8 Å²	100.8	58%	0.575	52%	0.522	S	S	*	.	H	α-helix	trans	-63.9	-44.7	175.7	-70.5	176.3	-1.7	0	0	112	S325 A326 S331 L332 L333	S325-Q329 WeakPolarHBondContact O-CG 3.33Å; S325-Q329 PolarHBondContact O-N 3.42Å; A326-Q329 PolarHBondContact O-N 2.97Å; Q329-S331 PolarHBondContact O-N 3.17Å; Q329-L332 PolarHBondContact O-N 3.04Å; Q329-L333 WeakPolarHBondContact O-CG 3.43Å; Q329-L333 PolarHBondContact O-N 3.3Å
330	L	93.4	Very high	94.2	Very high	97 Å²	97	102.6 Å²	102.6	51%	0.508	52%	0.524	S	S	.	.	H	α-helix	trans	-61.9	-41.9	175.7	-73.3	170.4	0	0	0	112.1	A326 L327 L333 Q334	A326-L330 WeakPolarHBondContact O-CG 3.35Å; A326-L330 PolarHBondContact O-N 2.7Å; L327-L330 PolarHBondContact O-N 3.29Å; L330-L333 PolarHBondContact O-N 3.1Å; L330-Q334 WeakPolarHBondContact O-CB 3.43Å; L330-Q334 WeakPolarHBondContact O-CG 3.12Å; L330-Q334 PolarHBondContact O-N 2.88Å
331	S	95.3	Very high	93.8	Very high	72 Å²	72	99.7 Å²	99.7	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-60.8	-44.3	174.7	-179	0	0	0	0	112.1	L327 R328 Q329 L333 Q334 A335	L327-S331 WeakPolarHBondContact O-CB 3.29Å; L327-S331 PolarHBondContact O-N 3.18Å; R328-S331 PolarHBondContact O-N 3.43Å; Q329-S331 PolarHBondContact O-N 3.17Å; S331-L333 PolarHBondContact O-N 2.94Å; S331-Q334 PolarHBondContact O-N 3.39Å; S331-A335 WeakPolarHBondContact O-CB 3.29Å; S331-A335 PolarHBondContact O-N 2.97Å
332	L	96.1	Very high	93.6	Very high	107 Å²	107	96 Å²	96	56%	0.56	50%	0.504	S	S	*	.	H	α-helix	trans	-62.6	-42.1	175.2	-177.9	63.6	0	0	0	112.1	R328 Q329 A335 N336	R328-L332 PolarHBondContact O-N 3.17Å; Q329-L332 PolarHBondContact O-N 3.04Å; L332-A335 PolarHBondContact O-N 2.93Å; L332-N336 WeakPolarHBondContact O-CB 3.35Å; L332-N336 PolarHBondContact O-N 3.31Å; L332-N336 PolarHBondContact O-ND2 3.29Å
333	L	92.6	Very high	93.4	Very high	113 Å²	113	90.3 Å²	90.3	59%	0.592	49%	0.491	S	S	*	.	H	α-helix	trans	-65.8	-39.5	176.2	-70.7	171.9	0	0	0	112.2	Q329 L330 S331 N336 A337	Q329-L333 WeakPolarHBondContact O-CG 3.43Å; Q329-L333 PolarHBondContact O-N 3.3Å; L330-L333 PolarHBondContact O-N 3.1Å; S331-L333 PolarHBondContact O-N 2.94Å; L333-N336 PolarHBondContact O-N 2.82Å; L333-A337 VanDerWaalsContact O-CB 3.31Å; L333-A337 WeakPolarHBondContact O-CB 3.35Å; L333-A337 PolarHBondContact O-N 3.36Å
334	Q	93.8	Very high	93.1	Very high	142 Å²	142	90.4 Å²	90.4	66%	0.664	48%	0.483	S	S	*	.	H	α-helix	trans	-63.7	-43.7	173.5	-75.6	177	-9.4	0	0	111.8	L330 S331 A337 A338	L330-Q334 WeakPolarHBondContact O-CB 3.43Å; L330-Q334 WeakPolarHBondContact O-CG 3.12Å; L330-Q334 PolarHBondContact O-N 2.88Å; S331-Q334 PolarHBondContact O-N 3.39Å; Q334-A337 PolarHBondContact O-N 2.81Å; Q334-A338 WeakPolarHBondContact O-CB 3.43Å; Q334-A338 PolarHBondContact O-N 3.46Å
335	A	93.4	Very high	92.8	Very high	53 Å²	53	93 Å²	93	44%	0.438	50%	0.495	S	S	.	.	H	α-helix	trans	-61.9	-45.9	176	0	0	0	0	0	111.7	S331 L332 A338 Q339	S331-A335 WeakPolarHBondContact O-CB 3.29Å; S331-A335 PolarHBondContact O-N 2.97Å; L332-A335 PolarHBondContact O-N 2.93Å; A335-A338 PolarHBondContact O-N 2.98Å; A335-Q339 WeakPolarHBondContact O-CB 3.49Å; A335-Q339 PolarHBondContact O-N 3.41Å
336	N	93.3	Very high	92.6	Very high	83 Å²	83	98.8 Å²	98.8	44%	0.444	51%	0.509	S	S	.	.	H	α-helix	trans	-61.3	-45.4	176	-71.9	-17.6	0	0	0	111.8	L332 L333 Q339 E340	L332-N336 WeakPolarHBondContact O-CB 3.35Å; L332-N336 PolarHBondContact O-N 3.31Å; L332-N336 PolarHBondContact O-ND2 3.29Å; L333-N336 PolarHBondContact O-N 2.82Å; N336-Q339 PolarHBondContact O-N 2.87Å; N336-E340 PolarHBondContact O-N 3.28Å
337	A	91.8	Very high	92.5	Very high	53 Å²	53	100.7 Å²	100.7	44%	0.438	51%	0.513	S	S	.	.	H	α-helix	trans	-63.8	-40.4	177.3	0	0	0	0	0	112.2	L333 Q334 E340 Q341	L333-A337 VanDerWaalsContact O-CB 3.31Å; L333-A337 WeakPolarHBondContact O-CB 3.35Å; L333-A337 PolarHBondContact O-N 3.36Å; Q334-A337 PolarHBondContact O-N 2.81Å; A337-E340 PolarHBondContact O-N 2.94Å; A337-Q341 WeakPolarHBondContact O-CG 3.21Å; A337-Q341 PolarHBondContact O-N 3.25Å
338	A	92.2	Very high	92.3	Very high	55 Å²	55	100.9 Å²	100.9	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-64.9	-43.5	174.9	0	0	0	0	0	111.9	Q334 A335 E340 Q341 V342	Q334-A338 WeakPolarHBondContact O-CB 3.43Å; Q334-A338 PolarHBondContact O-N 3.46Å; A335-A338 PolarHBondContact O-N 2.98Å; A338-E340 VanDerWaalsContact C-N 3.32Å; A338-E340 PolarHBondContact O-N 3.3Å; A338-Q341 PolarHBondContact O-N 3.38Å; A338-V342 WeakPolarHBondContact O-CG2 3.36Å; A338-V342 PolarHBondContact O-N 2.98Å
339	Q	91.9	Very high	92.1	Very high	141 Å²	141	97.2 Å²	97.2	66%	0.659	51%	0.51	S	S	*	.	H	α-helix	trans	-61	-40.9	174.3	-179.8	174.3	-13.9	0	0	111.6	A335 N336 V342 A343	A335-Q339 WeakPolarHBondContact O-CB 3.49Å; A335-Q339 PolarHBondContact O-N 3.41Å; N336-Q339 PolarHBondContact O-N 2.87Å; Q339-V342 PolarHBondContact O-N 3.36Å; Q339-A343 WeakPolarHBondContact O-CB 3.21Å; Q339-A343 PolarHBondContact O-N 3.15Å
340	E	90.1	Very high	91.9	Very high	98 Å²	98	98.9 Å²	98.9	46%	0.458	51%	0.511	S	S	.	.	H	α-helix	trans	-67.2	-40.4	176.7	-152.6	-153.8	160.8	0	0	112	N336 A337 A338 V342 A343 R344	N336-E340 PolarHBondContact O-N 3.28Å; A337-E340 PolarHBondContact O-N 2.94Å; A338-E340 VanDerWaalsContact C-N 3.32Å; A338-E340 PolarHBondContact O-N 3.3Å; E340-V342 PolarHBondContact O-N 2.69Å; E340-A343 WeakPolarHBondContact O-CB 3.46Å; E340-A343 PolarHBondContact O-N 3.12Å; E340-R344 WeakPolarHBondContact O-CB 3.21Å; E340-R344 VanDerWaalsContact O-CG 3.29Å; E340-R344 WeakPolarHBondContact O-CG 3.29Å; E340-R344 PolarHBondContact O-N 2.92Å; E340-R344 IonicContact OE1-CZ 3.85Å; E340-R344 IonicContact OE1-NE 2.65Å; E340-R344 PolarHBondContact OE1-NE 2.82Å; E340-R344 IonicContact OE1-NH2 3.38Å; E340-R344 PolarHBondContact OE1-NH2 2.86Å; E340-R344 IonicContact OE2-CZ 3.52Å; E340-R344 VanDerWaalsContact OE2-CZ 3.28Å; E340-R344 IonicContact OE2-NE 2.74Å; E340-R344 IonicContact OE2-NH1 3.89Å; E340-R344 IonicContact OE2-NH2 3.31Å; E340-R344 PolarHBondContact OE2-NH2 3.12Å
341	Q	89.4	Confident	91.9	Very high	97 Å²	97	98 Å²	98	45%	0.453	51%	0.51	S	S	.	.	H	α-helix	trans	-60.9	-43.3	173.3	-70.7	-68.4	7.7	0	0	111.8	A337 A338 A343 R344 Q345	A337-Q341 WeakPolarHBondContact O-CG 3.21Å; A337-Q341 PolarHBondContact O-N 3.25Å; A338-Q341 PolarHBondContact O-N 3.38Å; Q341-A343 VanDerWaalsContact C-N 3.33Å; Q341-A343 PolarHBondContact O-N 2.61Å; Q341-R344 PolarHBondContact O-N 3.46Å; Q341-Q345 WeakPolarHBondContact O-CG 3.36Å; Q341-Q345 PolarHBondContact O-N 2.93Å
342	V	92.3	Very high	91.7	Very high	61 Å²	61	98.1 Å²	98.1	37%	0.37	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-38.5	174.1	171.5	0	0	0	0	111.3	A338 Q339 E340 Q345 R346	A338-V342 WeakPolarHBondContact O-CG2 3.36Å; A338-V342 PolarHBondContact O-N 2.98Å; Q339-V342 PolarHBondContact O-N 3.36Å; E340-V342 PolarHBondContact O-N 2.69Å; V342-Q345 PolarHBondContact O-N 3.3Å; V342-R346 HydrophobicContact CG1-CG 4.48Å; V342-R346 WeakPolarHBondContact O-CB 3.16Å; V342-R346 VanDerWaalsContact O-CG 3.25Å; V342-R346 WeakPolarHBondContact O-CG 3.34Å; V342-R346 PolarHBondContact O-N 2.88Å
343	A	90.1	Very high	91.5	Very high	40 Å²	40	100.5 Å²	100.5	33%	0.331	51%	0.512	S	S	.	.	H	α-helix	trans	-65.4	-43.2	175.1	0	0	0	0	0	112.2	Q339 E340 Q341 R346 N347	Q339-A343 WeakPolarHBondContact O-CB 3.21Å; Q339-A343 PolarHBondContact O-N 3.15Å; E340-A343 WeakPolarHBondContact O-CB 3.46Å; E340-A343 PolarHBondContact O-N 3.12Å; Q341-A343 VanDerWaalsContact C-N 3.33Å; Q341-A343 PolarHBondContact O-N 2.61Å; A343-R346 PolarHBondContact O-N 2.89Å; A343-N347 WeakPolarHBondContact O-CB 3.24Å; A343-N347 PolarHBondContact O-N 2.91Å; A343-N347 PolarHBondContact O-ND2 2.96Å
344	R	90.4	Very high	91.5	Very high	115 Å²	115	98.8 Å²	98.8	43%	0.434	50%	0.503	S	S	.	.	H	α-helix	trans	-59.2	-48.6	173.3	-70.9	168.3	-176.2	167.1	-3.5	111	E340 Q341 R346 N347 V348	E340-R344 WeakPolarHBondContact O-CB 3.21Å; E340-R344 VanDerWaalsContact O-CG 3.29Å; E340-R344 WeakPolarHBondContact O-CG 3.29Å; E340-R344 PolarHBondContact O-N 2.92Å; E340-R344 IonicContact OE1-CZ 3.85Å; E340-R344 IonicContact OE1-NE 2.65Å; E340-R344 PolarHBondContact OE1-NE 2.82Å; E340-R344 IonicContact OE1-NH2 3.38Å; E340-R344 PolarHBondContact OE1-NH2 2.86Å; E340-R344 IonicContact OE2-CZ 3.52Å; E340-R344 VanDerWaalsContact OE2-CZ 3.28Å; E340-R344 IonicContact OE2-NE 2.74Å; E340-R344 IonicContact OE2-NH1 3.89Å; E340-R344 IonicContact OE2-NH2 3.31Å; E340-R344 PolarHBondContact OE2-NH2 3.12Å; Q341-R344 PolarHBondContact O-N 3.46Å; R344-R346 PolarHBondContact O-N 3.34Å; R344-N347 PolarHBondContact O-N 2.82Å; R344-V348 WeakPolarHBondContact O-CG2 3.49Å; R344-V348 PolarHBondContact O-N 3.02Å
345	Q	88.5	Confident	91.3	Very high	127 Å²	127	96.8 Å²	96.8	59%	0.593	50%	0.496	S	S	*	.	H	α-helix	trans	-59.8	-44.3	176.1	-72.3	176.8	6.4	0	0	112.6	Q341 V342 N347 V348 M349	Q341-Q345 WeakPolarHBondContact O-CG 3.36Å; Q341-Q345 PolarHBondContact O-N 2.93Å; V342-Q345 PolarHBondContact O-N 3.3Å; Q345-N347 VanDerWaalsContact C-N 3.35Å; Q345-N347 PolarHBondContact O-N 3.4Å; Q345-V348 PolarHBondContact O-N 2.73Å; Q345-M349 WeakPolarHBondContact O-CB 3.47Å; Q345-M349 PolarHBondContact O-N 3.33Å
346	R	90.6	Very high	91.1	Very high	179 Å²	179	100.3 Å²	100.3	68%	0.675	50%	0.501	S	S	*	.	H	α-helix	trans	-61	-41.8	174.7	-74.5	171.9	-177.5	-179.6	3.5	111.9	V342 A343 R344 M349 R350	V342-R346 HydrophobicContact CG1-CG 4.48Å; V342-R346 WeakPolarHBondContact O-CB 3.16Å; V342-R346 VanDerWaalsContact O-CG 3.25Å; V342-R346 WeakPolarHBondContact O-CG 3.34Å; V342-R346 PolarHBondContact O-N 2.88Å; A343-R346 PolarHBondContact O-N 2.89Å; R344-R346 PolarHBondContact O-N 3.34Å; R346-M349 PolarHBondContact O-N 3.39Å; R346-R350 WeakPolarHBondContact O-CB 3.49Å; R346-R350 PolarHBondContact O-N 2.7Å
347	N	91.4	Very high	91	Very high	82 Å²	82	102.9 Å²	102.9	44%	0.439	51%	0.509	S	S	.	.	H	α-helix	trans	-65.9	-46.1	177.4	-78.7	-31.1	0	0	0	112.2	A343 R344 Q345 M349 R350 V351	A343-N347 WeakPolarHBondContact O-CB 3.24Å; A343-N347 PolarHBondContact O-N 2.91Å; A343-N347 PolarHBondContact O-ND2 2.96Å; R344-N347 PolarHBondContact O-N 2.82Å; Q345-N347 VanDerWaalsContact C-N 3.35Å; Q345-N347 PolarHBondContact O-N 3.4Å; N347-M349 VanDerWaalsContact C-N 3.33Å; N347-M349 PolarHBondContact O-N 3.24Å; N347-R350 PolarHBondContact O-N 2.72Å; N347-V351 WeakPolarHBondContact O-CG2 3.43Å; N347-V351 PolarHBondContact O-N 2.91Å
348	V	92	Very high	91	Very high	103 Å²	103	106.1 Å²	106.1	62%	0.624	52%	0.515	S	S	*	.	H	α-helix	trans	-58.8	-44.2	173.8	170.7	0	0	0	0	111	R344 Q345 R350 V351 S352	R344-V348 WeakPolarHBondContact O-CG2 3.49Å; R344-V348 PolarHBondContact O-N 3.02Å; Q345-V348 PolarHBondContact O-N 2.73Å; V348-R350 PolarHBondContact O-N 3.03Å; V348-V351 PolarHBondContact O-N 3.06Å; V348-S352 VanDerWaalsContact O-CB 3.31Å; V348-S352 WeakPolarHBondContact O-CB 3.49Å; V348-S352 PolarHBondContact O-N 3.17Å
349	M	89.2	Confident	90.9	Very high	100 Å²	100	110.1 Å²	110.1	49%	0.493	52%	0.522	S	S	.	.	H	α-helix	trans	-64.1	-38.5	176.2	-169.7	-173.4	-65.3	0	0	112.3	Q345 R346 N347 R353	Q345-M349 WeakPolarHBondContact O-CB 3.47Å; Q345-M349 PolarHBondContact O-N 3.33Å; R346-M349 PolarHBondContact O-N 3.39Å; N347-M349 VanDerWaalsContact C-N 3.33Å; N347-M349 PolarHBondContact O-N 3.24Å; M349-R353 WeakPolarHBondContact O-CB 3.35Å; M349-R353 VanDerWaalsContact O-CG 3.26Å; M349-R353 WeakPolarHBondContact O-CG 3.27Å; M349-R353 PolarHBondContact O-N 3.12Å; M349-R353 PolarHBondContact SD-NH2 2.93Å
350	R	92.8	Very high	90.8	Very high	158 Å²	158	107 Å²	107	60%	0.596	51%	0.507	S	S	*	.	H	α-helix	trans	-64.4	-46.2	175.8	-173.8	176	68.7	162.2	0.8	111.6	R346 N347 V348 R353 N354	R346-R350 WeakPolarHBondContact O-CB 3.49Å; R346-R350 PolarHBondContact O-N 2.7Å; N347-R350 PolarHBondContact O-N 2.72Å; V348-R350 PolarHBondContact O-N 3.03Å; R350-R353 PolarHBondContact O-N 2.86Å; R350-N354 PolarHBondContact O-N 3.37Å; R350-N354 PolarHBondContact O-OD1 2.7Å
351	V	93.4	Very high	90.9	Very high	80 Å²	80	104.9 Å²	104.9	49%	0.485	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-47	176.2	171.9	0	0	0	0	110.7	N347 V348 R353 N354 I355	N347-V351 WeakPolarHBondContact O-CG2 3.43Å; N347-V351 PolarHBondContact O-N 2.91Å; V348-V351 PolarHBondContact O-N 3.06Å; V351-R353 PolarHBondContact O-N 3.12Å; V351-N354 PolarHBondContact O-N 3.4Å; V351-N354 VanDerWaalsContact O-N 3.11Å; V351-I355 HydrophobicContact CG1-CD1 3.7Å; V351-I355 HydrophobicContact CG1-CG1 4.36Å; V351-I355 WeakPolarHBondContact O-CG1 3.23Å; V351-I355 PolarHBondContact O-N 3.19Å
352	S	90.4	Very high	91	Very high	74 Å²	74	105.2 Å²	105.2	52%	0.517	51%	0.507	S	S	.	.	H	α-helix	trans	-58.7	-42.3	176.5	179.8	0	0	0	0	112.9	V348 N354 I355 K356	V348-S352 VanDerWaalsContact O-CB 3.31Å; V348-S352 WeakPolarHBondContact O-CB 3.49Å; V348-S352 PolarHBondContact O-N 3.17Å; S352-N354 PolarHBondContact O-N 3.4Å; S352-I355 PolarHBondContact O-N 3.07Å; S352-K356 WeakPolarHBondContact O-CB 3.35Å; S352-K356 PolarHBondContact O-N 2.89Å
353	R	92.1	Very high	90.8	Very high	157 Å²	157	106.4 Å²	106.4	59%	0.592	51%	0.51	S	S	*	.	H	α-helix	trans	-62.7	-39.3	173.5	-74.9	172.4	-177.2	-175.7	1.1	112.6	M349 R350 V351 K356 K357	M349-R353 WeakPolarHBondContact O-CB 3.35Å; M349-R353 VanDerWaalsContact O-CG 3.26Å; M349-R353 WeakPolarHBondContact O-CG 3.27Å; M349-R353 PolarHBondContact O-N 3.12Å; M349-R353 PolarHBondContact SD-NH2 2.93Å; R350-R353 PolarHBondContact O-N 2.86Å; V351-R353 PolarHBondContact O-N 3.12Å; R353-K356 PolarHBondContact O-N 3.23Å; R353-K357 WeakPolarHBondContact O-CG 3.24Å; R353-K357 PolarHBondContact O-N 3.3Å
354	N	92.2	Very high	90.8	Very high	77 Å²	77	111.5 Å²	111.5	41%	0.412	52%	0.521	S	S	.	.	H	α-helix	trans	-68	-48.1	177.6	-72.9	3.8	0	0	0	111.2	R350 V351 S352 K356 K357 E358	R350-N354 PolarHBondContact O-N 3.37Å; R350-N354 PolarHBondContact O-OD1 2.7Å; V351-N354 PolarHBondContact O-N 3.4Å; V351-N354 VanDerWaalsContact O-N 3.11Å; S352-N354 PolarHBondContact O-N 3.4Å; N354-K356 PolarHBondContact O-N 3.11Å; N354-K357 WeakPolarHBondContact O-CB 3.5Å; N354-K357 PolarHBondContact O-N 3.18Å; N354-E358 PolarHBondContact O-N 2.79Å
355	I	90.4	Very high	90.8	Very high	99 Å²	99	111.2 Å²	111.2	51%	0.508	52%	0.524	S	S	.	.	H	α-helix	trans	-57.2	-38.2	174.4	-66.5	169	0	0	0	110.9	V351 S352 E358 K359	V351-I355 HydrophobicContact CG1-CD1 3.7Å; V351-I355 HydrophobicContact CG1-CG1 4.36Å; V351-I355 WeakPolarHBondContact O-CG1 3.23Å; V351-I355 PolarHBondContact O-N 3.19Å; S352-I355 PolarHBondContact O-N 3.07Å; I355-E358 PolarHBondContact O-N 2.85Å; I355-K359 WeakPolarHBondContact O-CB 3.47Å; I355-K359 PolarHBondContact O-N 3.02Å
356	K	88.6	Confident	90.7	Very high	127 Å²	127	109.1 Å²	109.1	55%	0.552	52%	0.517	S	S	*	.	H	α-helix	trans	-64	-45.1	174.4	-164.8	-176.8	-173.5	-103.6	0	112	S352 R353 N354 K359 E360	S352-K356 WeakPolarHBondContact O-CB 3.35Å; S352-K356 PolarHBondContact O-N 2.89Å; R353-K356 PolarHBondContact O-N 3.23Å; N354-K356 PolarHBondContact O-N 3.11Å; K356-K359 PolarHBondContact O-N 3.01Å; K356-E360 VanDerWaalsContact CE-OE1 3.3Å; K356-E360 WeakPolarHBondContact CE-OE1 3.36Å; K356-E360 WeakPolarHBondContact CG-OE1 3.44Å; K356-E360 IonicContact NZ-OE1 2.82Å; K356-E360 PolarHBondContact NZ-OE1 2.87Å; K356-E360 WeakPolarHBondContact O-CB 3.43Å; K356-E360 VanDerWaalsContact O-CG 3.27Å; K356-E360 WeakPolarHBondContact O-CG 3.46Å; K356-E360 PolarHBondContact O-N 2.92Å
357	K	91.8	Very high	90.6	Very high	138 Å²	138	105.7 Å²	105.7	60%	0.6	51%	0.509	S	S	*	.	H	α-helix	trans	-62.1	-40.9	175.8	-74.6	177.6	173.6	-173.6	0	112.4	R353 N354 E360 S361	R353-K357 WeakPolarHBondContact O-CG 3.24Å; R353-K357 PolarHBondContact O-N 3.3Å; N354-K357 WeakPolarHBondContact O-CB 3.5Å; N354-K357 PolarHBondContact O-N 3.18Å; K357-E360 PolarHBondContact O-N 3.4Å; K357-S361 WeakPolarHBondContact O-CB 3.28Å; K357-S361 PolarHBondContact O-N 2.97Å
358	E	90.8	Very high	90.5	Very high	120 Å²	120	106.8 Å²	106.8	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-64.6	-46.3	175.6	-73.2	169.4	-178.3	0	0	110.8	N354 I355 E360 S361 L362	N354-E358 PolarHBondContact O-N 2.79Å; I355-E358 PolarHBondContact O-N 2.85Å; E358-E360 VanDerWaalsContact C-N 3.33Å; E358-E360 PolarHBondContact O-N 3.41Å; E358-S361 WeakPolarHBondContact O-CA 3.41Å; E358-S361 WeakPolarHBondContact O-CB 3.36Å; E358-S361 PolarHBondContact O-N 3.4Å; E358-L362 WeakPolarHBondContact O-CG 3.39Å; E358-L362 PolarHBondContact O-N 2.91Å
359	K	91.2	Very high	90.1	Very high	139 Å²	139	106.5 Å²	106.5	60%	0.604	51%	0.508	S	S	*	.	H	α-helix	trans	-57.3	-43.4	172	-179.1	177.3	177.7	177.4	0	112.2	I355 K356 S361 L362 M363	I355-K359 WeakPolarHBondContact O-CB 3.47Å; I355-K359 PolarHBondContact O-N 3.02Å; K356-K359 PolarHBondContact O-N 3.01Å; K359-S361 VanDerWaalsContact C-N 3.29Å; K359-S361 PolarHBondContact O-N 3.45Å; K359-L362 PolarHBondContact O-N 3.22Å; K359-M363 HydrophobicContact CG-CG 4.44Å; K359-M363 VanDerWaalsContact O-CB 3.29Å; K359-M363 WeakPolarHBondContact O-CB 3.28Å; K359-M363 WeakPolarHBondContact O-CG 3.03Å; K359-M363 PolarHBondContact O-N 2.95Å
360	E	90	Very high	90	Very high	77 Å²	77	108.8 Å²	108.8	36%	0.36	51%	0.511	S	S	.	.	H	α-helix	trans	-67.9	-26.3	175.9	-73.7	165.7	-179.3	0	0	112.7	K356 K357 E358 R364	K356-E360 VanDerWaalsContact CE-OE1 3.3Å; K356-E360 WeakPolarHBondContact CE-OE1 3.36Å; K356-E360 WeakPolarHBondContact CG-OE1 3.44Å; K356-E360 IonicContact NZ-OE1 2.82Å; K356-E360 PolarHBondContact NZ-OE1 2.87Å; K356-E360 WeakPolarHBondContact O-CB 3.43Å; K356-E360 VanDerWaalsContact O-CG 3.27Å; K356-E360 WeakPolarHBondContact O-CG 3.46Å; K356-E360 PolarHBondContact O-N 2.92Å; K357-E360 PolarHBondContact O-N 3.4Å; E358-E360 VanDerWaalsContact C-N 3.33Å; E358-E360 PolarHBondContact O-N 3.41Å; E360-R364 WeakPolarHBondContact O-CG 3.44Å; E360-R364 PolarHBondContact O-N 3.45Å; E360-R364 PolarHBondContact O-NE 2.6Å
361	S	91.2	Very high	89.6	Confident	52 Å²	52	105.1 Å²	105.1	36%	0.364	50%	0.503	S	S	.	.	H	α-helix	trans	-74.2	-50.7	171.7	-162.1	0	0	0	0	111.3	K357 E358 K359 M363 R364 Q365	K357-S361 WeakPolarHBondContact O-CB 3.28Å; K357-S361 PolarHBondContact O-N 2.97Å; E358-S361 WeakPolarHBondContact O-CA 3.41Å; E358-S361 WeakPolarHBondContact O-CB 3.36Å; E358-S361 PolarHBondContact O-N 3.4Å; K359-S361 VanDerWaalsContact C-N 3.29Å; K359-S361 PolarHBondContact O-N 3.45Å; S361-M363 VanDerWaalsContact C-N 3.31Å; S361-M363 PolarHBondContact O-N 3.38Å; S361-R364 PolarHBondContact O-N 2.86Å; S361-R364 VanDerWaalsContact O-N 3.1Å; S361-Q365 PolarHBondContact O-N 3.43Å
362	L	91.7	Very high	89.1	Confident	104 Å²	104	106.3 Å²	106.3	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-60.6	-38.4	177.4	-68.8	167.2	0	0	0	112	E358 K359 Q365 L366	E358-L362 WeakPolarHBondContact O-CG 3.39Å; E358-L362 PolarHBondContact O-N 2.91Å; K359-L362 PolarHBondContact O-N 3.22Å; L362-Q365 PolarHBondContact O-N 3.36Å; L362-L366 WeakPolarHBondContact O-CB 3.3Å; L362-L366 PolarHBondContact O-N 3.32Å
363	M	88.5	Confident	88.6	Confident	87 Å²	87	107 Å²	107	43%	0.429	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-43.4	173.1	-78.2	-66.6	-60.2	0	0	112	K359 S361 L366 E367	K359-M363 HydrophobicContact CG-CG 4.44Å; K359-M363 VanDerWaalsContact O-CB 3.29Å; K359-M363 WeakPolarHBondContact O-CB 3.28Å; K359-M363 WeakPolarHBondContact O-CG 3.03Å; K359-M363 PolarHBondContact O-N 2.95Å; S361-M363 VanDerWaalsContact C-N 3.31Å; S361-M363 PolarHBondContact O-N 3.38Å; M363-L366 WeakPolarHBondContact O-CB 3.46Å; M363-L366 PolarHBondContact O-N 3.08Å; M363-E367 WeakPolarHBondContact O-CB 3.34Å; M363-E367 PolarHBondContact O-N 2.83Å
364	R	89.8	Confident	88.2	Confident	146 Å²	146	107.1 Å²	107.1	55%	0.551	50%	0.503	S	S	*	.	H	α-helix	trans	-67.4	-36.2	175.7	-78.7	176	-72.2	174.1	-1.3	112.5	E360 S361 E367 I368	E360-R364 WeakPolarHBondContact O-CG 3.44Å; E360-R364 PolarHBondContact O-N 3.45Å; E360-R364 PolarHBondContact O-NE 2.6Å; S361-R364 PolarHBondContact O-N 2.86Å; S361-R364 VanDerWaalsContact O-N 3.1Å; R364-E367 PolarHBondContact O-N 2.8Å; R364-I368 VanDerWaalsContact O-CG1 3.3Å; R364-I368 WeakPolarHBondContact O-CG1 3.28Å; R364-I368 PolarHBondContact O-N 2.68Å
365	Q	89.8	Confident	87.6	Confident	109 Å²	109	111.4 Å²	111.4	51%	0.509	51%	0.513	S	S	.	.	H	α-helix	trans	-63.6	-43.7	171.6	-71.3	176	-20.4	0	0	111.5	S361 L362 E367 I368 L369	S361-Q365 PolarHBondContact O-N 3.43Å; L362-Q365 PolarHBondContact O-N 3.36Å; Q365-E367 VanDerWaalsContact C-N 3.3Å; Q365-E367 PolarHBondContact O-N 2.7Å; Q365-I368 PolarHBondContact O-N 3.31Å; Q365-L369 WeakPolarHBondContact O-CB 3.32Å; Q365-L369 VanDerWaalsContact O-CG 3.27Å; Q365-L369 WeakPolarHBondContact O-CG 3.31Å; Q365-L369 PolarHBondContact O-N 3.48Å
366	L	87.4	Confident	86.9	Confident	83 Å²	83	111.5 Å²	111.5	44%	0.435	51%	0.514	S	S	.	.	H	α-helix	trans	-61.4	-36.5	172.4	-89	163.4	0	0	0	112.7	L362 M363 R370	L362-L366 WeakPolarHBondContact O-CB 3.3Å; L362-L366 PolarHBondContact O-N 3.32Å; M363-L366 WeakPolarHBondContact O-CB 3.46Å; M363-L366 PolarHBondContact O-N 3.08Å; L366-R370 WeakPolarHBondContact O-CB 3.25Å; L366-R370 WeakPolarHBondContact O-CD 3.35Å; L366-R370 WeakPolarHBondContact O-CG 3.48Å; L366-R370 PolarHBondContact O-N 3.34Å
367	E	88.5	Confident	86.2	Confident	108 Å²	108	113.3 Å²	113.3	51%	0.505	52%	0.518	S	S	.	.	H	α-helix	trans	-70.4	-45.2	178.3	-163.1	151.2	-116.5	0	0	111.7	M363 R364 Q365 L369 R370 D371	M363-E367 WeakPolarHBondContact O-CB 3.34Å; M363-E367 PolarHBondContact O-N 2.83Å; R364-E367 PolarHBondContact O-N 2.8Å; Q365-E367 VanDerWaalsContact C-N 3.3Å; Q365-E367 PolarHBondContact O-N 2.7Å; E367-L369 VanDerWaalsContact C-N 3.34Å; E367-L369 PolarHBondContact O-N 3.31Å; E367-R370 WeakPolarHBondContact O-CB 3.3Å; E367-R370 PolarHBondContact O-N 2.89Å; E367-R370 VanDerWaalsContact O-N 3.15Å; E367-D371 PolarHBondContact O-N 3.43Å
368	I	89.7	Confident	85.5	Confident	105 Å²	105	110.8 Å²	110.8	54%	0.538	51%	0.511	S	S	.	.	H	α-helix	trans	-59.7	-43.4	171.1	-67.1	163	0	0	0	110.9	R364 Q365 R370 D371 M372	R364-I368 VanDerWaalsContact O-CG1 3.3Å; R364-I368 WeakPolarHBondContact O-CG1 3.28Å; R364-I368 PolarHBondContact O-N 2.68Å; Q365-I368 PolarHBondContact O-N 3.31Å; I368-R370 VanDerWaalsContact C-N 3.32Å; I368-R370 PolarHBondContact O-N 2.91Å; I368-D371 PolarHBondContact O-N 3.31Å; I368-M372 HydrophobicContact CG2-CG 4.43Å; I368-M372 HydrophobicContact CG2-SD 4.19Å; I368-M372 WeakPolarHBondContact O-CB 3.45Å; I368-M372 WeakPolarHBondContact O-CG 3.29Å; I368-M372 PolarHBondContact O-N 3.4Å
369	L	82.5	Confident	84.7	Confident	97 Å²	97	110.6 Å²	110.6	51%	0.508	51%	0.51	S	S	.	.	H	α-helix	trans	-65.6	-33.2	176.3	-74.5	170.2	0	0	0	112.6	Q365 E367 N373	Q365-L369 WeakPolarHBondContact O-CB 3.32Å; Q365-L369 VanDerWaalsContact O-CG 3.27Å; Q365-L369 WeakPolarHBondContact O-CG 3.31Å; Q365-L369 PolarHBondContact O-N 3.48Å; E367-L369 VanDerWaalsContact C-N 3.34Å; E367-L369 PolarHBondContact O-N 3.31Å; L369-N373 WeakPolarHBondContact O-CB 3.31Å; L369-N373 PolarHBondContact O-N 3.28Å; L369-N373 PolarHBondContact O-ND2 2.92Å
370	R	87.3	Confident	83.7	Confident	147 Å²	147	109.9 Å²	109.9	56%	0.555	51%	0.507	S	S	*	.	H	α-helix	trans	-68.6	-45.1	172.6	-76.4	162.4	-179.5	177.9	-0.2	111.3	L366 E367 I368 N373 R374	L366-R370 WeakPolarHBondContact O-CB 3.25Å; L366-R370 WeakPolarHBondContact O-CD 3.35Å; L366-R370 WeakPolarHBondContact O-CG 3.48Å; L366-R370 PolarHBondContact O-N 3.34Å; E367-R370 WeakPolarHBondContact O-CB 3.3Å; E367-R370 PolarHBondContact O-N 2.89Å; E367-R370 VanDerWaalsContact O-N 3.15Å; I368-R370 VanDerWaalsContact C-N 3.32Å; I368-R370 PolarHBondContact O-N 2.91Å; R370-N373 CarbonylContact O-C 3.55Å; R370-N373 PolarHBondContact O-N 3.14Å; R370-R374 WeakPolarHBondContact O-CB 3.39Å; R370-R374 PolarHBondContact O-N 2.87Å
371	D	85.1	Confident	82.7	Confident	81 Å²	81	110.5 Å²	110.5	43%	0.433	51%	0.513	S	S	.	.	H	α-helix	trans	-67.5	-35.4	177.5	-91.8	6.2	0	0	0	112.5	E367 I368 R374 R375	E367-D371 PolarHBondContact O-N 3.43Å; I368-D371 PolarHBondContact O-N 3.31Å; D371-R374 PolarHBondContact O-N 2.86Å; D371-R375 WeakPolarHBondContact O-CB 3.47Å; D371-R375 VanDerWaalsContact O-CG 3.28Å; D371-R375 WeakPolarHBondContact O-CG 3.32Å; D371-R375 PolarHBondContact O-N 2.96Å
372	M	82.2	Confident	81.3	Confident	105 Å²	105	110.1 Å²	110.1	52%	0.517	51%	0.513	S	S	.	.	H	α-helix	trans	-65.8	-45	169.8	-73.7	-177.3	71.4	0	0	111.4	I368 R374 R375 L376	I368-M372 HydrophobicContact CG2-CG 4.43Å; I368-M372 HydrophobicContact CG2-SD 4.19Å; I368-M372 WeakPolarHBondContact O-CB 3.45Å; I368-M372 WeakPolarHBondContact O-CG 3.29Å; I368-M372 PolarHBondContact O-N 3.4Å; M372-R374 PolarHBondContact O-N 2.82Å; M372-R375 PolarHBondContact O-N 2.8Å; M372-L376 WeakPolarHBondContact O-CB 3.38Å; M372-L376 VanDerWaalsContact O-CG 3.26Å; M372-L376 WeakPolarHBondContact O-CG 3.49Å; M372-L376 PolarHBondContact O-N 2.98Å
373	N	80.5	Confident	79.8	Confident	88 Å²	88	112.1 Å²	112.1	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-28.6	173.7	-89.3	-88.7	0	0	0	112.9	L369 R370 R377	L369-N373 WeakPolarHBondContact O-CB 3.31Å; L369-N373 PolarHBondContact O-N 3.28Å; L369-N373 PolarHBondContact O-ND2 2.92Å; R370-N373 CarbonylContact O-C 3.55Å; R370-N373 PolarHBondContact O-N 3.14Å; N373-R377 WeakPolarHBondContact O-CD 3.34Å; N373-R377 VanDerWaalsContact O-CG 3.22Å; N373-R377 WeakPolarHBondContact O-CG 3.31Å; N373-R377 PolarHBondContact O-N 3.12Å
374	R	83.3	Confident	78.3	Confident	161 Å²	161	113.7 Å²	113.7	61%	0.608	53%	0.526	S	S	*	.	H	α-helix	trans	-71.7	-53.5	174.1	-167.3	-177.7	-176.6	165.7	3.8	110.2	R370 D371 M372 L376 R377 D378	R370-R374 WeakPolarHBondContact O-CB 3.39Å; R370-R374 PolarHBondContact O-N 2.87Å; D371-R374 PolarHBondContact O-N 2.86Å; M372-R374 PolarHBondContact O-N 2.82Å; R374-L376 VanDerWaalsContact C-N 3.3Å; R374-L376 PolarHBondContact O-N 2.78Å; R374-R377 CarbonylContact O-C 3.54Å; R374-R377 WeakPolarHBondContact O-CA 3.45Å; R374-R377 WeakPolarHBondContact O-CB 3.3Å; R374-R377 PolarHBondContact O-N 2.85Å; R374-D378 PolarHBondContact O-N 2.93Å
375	R	79.1	Confident	76.3	Confident	166 Å²	166	110.8 Å²	110.8	63%	0.626	53%	0.528	S	S	*	.	H	α-helix	trans	-55.5	-41.6	175.2	-70.6	170.2	-172.8	-127.1	2.9	112.6	D371 M372 R377 D378 E379	D371-R375 WeakPolarHBondContact O-CB 3.47Å; D371-R375 VanDerWaalsContact O-CG 3.28Å; D371-R375 WeakPolarHBondContact O-CG 3.32Å; D371-R375 PolarHBondContact O-N 2.96Å; M372-R375 PolarHBondContact O-N 2.8Å; R375-R377 VanDerWaalsContact C-N 3.27Å; R375-R377 PolarHBondContact O-N 3.18Å; R375-D378 PolarHBondContact O-N 3.19Å; R375-E379 VanDerWaalsContact O-CB 3.31Å; R375-E379 WeakPolarHBondContact O-CB 3.23Å; R375-E379 VanDerWaalsContact O-CG 3.32Å; R375-E379 WeakPolarHBondContact O-CG 3.28Å; R375-E379 PolarHBondContact O-N 3.2Å
376	L	76.8	Confident	74.4	Confident	102 Å²	102	112.8 Å²	112.8	53%	0.534	54%	0.541	S	S	.	.	H	α-helix	trans	-67.7	-24.1	175.4	-71.8	169	0	0	0	113.4	M372 R374 K380	M372-L376 WeakPolarHBondContact O-CB 3.38Å; M372-L376 VanDerWaalsContact O-CG 3.26Å; M372-L376 WeakPolarHBondContact O-CG 3.49Å; M372-L376 PolarHBondContact O-N 2.98Å; R374-L376 VanDerWaalsContact C-N 3.3Å; R374-L376 PolarHBondContact O-N 2.78Å; L376-K380 VanDerWaalsContact O-CB 3.24Å; L376-K380 WeakPolarHBondContact O-CB 3.05Å; L376-K380 PolarHBondContact O-N 3.47Å
377	R	73.9	Confident	72.4	Confident	164 Å²	164	117.4 Å²	117.4	62%	0.619	56%	0.558	S	S	*	*	H	α-helix	trans	-79.1	-46.5	168.4	-71.9	164.4	-175.6	-116.1	1	110.7	N373 R374 R375 E379 K380 D381	N373-R377 WeakPolarHBondContact O-CD 3.34Å; N373-R377 VanDerWaalsContact O-CG 3.22Å; N373-R377 WeakPolarHBondContact O-CG 3.31Å; N373-R377 PolarHBondContact O-N 3.12Å; R374-R377 CarbonylContact O-C 3.54Å; R374-R377 WeakPolarHBondContact O-CA 3.45Å; R374-R377 WeakPolarHBondContact O-CB 3.3Å; R374-R377 PolarHBondContact O-N 2.85Å; R375-R377 VanDerWaalsContact C-N 3.27Å; R375-R377 PolarHBondContact O-N 3.18Å; R377-E379 VanDerWaalsContact C-N 3.3Å; R377-E379 PolarHBondContact O-N 2.98Å; R377-K380 CarbonylContact O-C 3.55Å; R377-K380 WeakPolarHBondContact O-CB 3.29Å; R377-K380 PolarHBondContact O-N 2.87Å; R377-K380 VanDerWaalsContact O-N 3.08Å; R377-D381 WeakPolarHBondContact O-CB 3.43Å; R377-D381 PolarHBondContact O-N 2.91Å
378	D	76.8	Confident	69.9	Low	86 Å²	86	119.7 Å²	119.7	46%	0.46	57%	0.572	S	S	.	*	H	α-helix	trans	-60	-39.9	178.6	-54.9	-32.6	0	0	0	111.1	R374 R375 A382	R374-D378 PolarHBondContact O-N 2.93Å; R375-D378 PolarHBondContact O-N 3.19Å; D378-A382 VanDerWaalsContact O-CB 3.24Å; D378-A382 WeakPolarHBondContact O-CB 3.49Å; D378-A382 PolarHBondContact O-N 3.33Å
379	E	73.5	Confident	67.1	Low	116 Å²	116	121.9 Å²	121.9	54%	0.542	59%	0.586	S	S	.	*	H	α-helix	trans	-68.1	-39.4	172.5	-76.3	177.5	167.2	0	0	112.5	R375 R377 A382 Q383	R375-E379 VanDerWaalsContact O-CB 3.31Å; R375-E379 WeakPolarHBondContact O-CB 3.23Å; R375-E379 VanDerWaalsContact O-CG 3.32Å; R375-E379 WeakPolarHBondContact O-CG 3.28Å; R375-E379 PolarHBondContact O-N 3.2Å; R377-E379 VanDerWaalsContact C-N 3.3Å; R377-E379 PolarHBondContact O-N 2.98Å; E379-A382 PolarHBondContact O-N 3.37Å; E379-Q383 WeakPolarHBondContact O-CG 3.2Å; E379-Q383 PolarHBondContact O-N 2.92Å
380	K	70.9	Confident	65.4	Low	123 Å²	123	122 Å²	122	54%	0.535	59%	0.592	S	S	.	*	H	α-helix	trans	-66.4	-42.4	175	-178.9	-175.3	175.3	-170.2	0	111.2	L376 R377 A382 Q383 Q384	L376-K380 VanDerWaalsContact O-CB 3.24Å; L376-K380 WeakPolarHBondContact O-CB 3.05Å; L376-K380 PolarHBondContact O-N 3.47Å; R377-K380 CarbonylContact O-C 3.55Å; R377-K380 WeakPolarHBondContact O-CB 3.29Å; R377-K380 PolarHBondContact O-N 2.87Å; R377-K380 VanDerWaalsContact O-N 3.08Å; K380-A382 VanDerWaalsContact C-N 3.34Å; K380-Q383 CarbonylContact O-C 3.51Å; K380-Q383 PolarHBondContact O-N 3.05Å; K380-Q384 VanDerWaalsContact CE-OE1 3.28Å; K380-Q384 WeakPolarHBondContact O-CG 3.47Å; K380-Q384 PolarHBondContact O-N 3.01Å
381	D	68.4	Low	62.6	Low	90 Å²	90	122 Å²	122	48%	0.481	60%	0.603	S	S	.	*	H	α-helix	trans	-71.9	-31	179.2	-66	-14.9	0	0	0	110.6	R377 Q384 S385	R377-D381 WeakPolarHBondContact O-CB 3.43Å; R377-D381 PolarHBondContact O-N 2.91Å; D381-Q384 PolarHBondContact O-N 3.23Å; D381-S385 WeakPolarHBondContact O-CB 3.38Å; D381-S385 PolarHBondContact O-N 3.25Å; D381-S385 PolarHBondContact O-OG 2.84Å
382	A	62.6	Low	60	Low	45 Å²	45	124.2 Å²	124.2	37%	0.372	62%	0.619	S	S	.	*	H	α-helix	trans	-63.7	-43.6	165.1	0	0	0	0	0	112.3	D378 E379 K380 Q384 S385 L386	D378-A382 VanDerWaalsContact O-CB 3.24Å; D378-A382 WeakPolarHBondContact O-CB 3.49Å; D378-A382 PolarHBondContact O-N 3.33Å; E379-A382 PolarHBondContact O-N 3.37Å; K380-A382 VanDerWaalsContact C-N 3.34Å; A382-Q384 VanDerWaalsContact C-N 3.32Å; A382-Q384 PolarHBondContact O-N 3.22Å; A382-S385 WeakPolarHBondContact CA-OG 3.46Å; A382-S385 PolarHBondContact O-N 3.1Å; A382-S385 PolarHBondContact O-OG 3.15Å; A382-L386 WeakPolarHBondContact O-CG 3.35Å; A382-L386 PolarHBondContact O-N 2.97Å; A382-L386 VanDerWaalsContact O-N 3.11Å
383	Q	59.4	Low	57.6	Low	145 Å²	145	124.8 Å²	124.8	68%	0.678	63%	0.629	S	S	*	*	H	α-helix	trans	-68.2	-28.7	174.9	-74	-178.5	12.5	0	0	113.2	E379 K380	E379-Q383 WeakPolarHBondContact O-CG 3.2Å; E379-Q383 PolarHBondContact O-N 2.92Å; K380-Q383 CarbonylContact O-C 3.51Å; K380-Q383 PolarHBondContact O-N 3.05Å
384	Q	56.3	Low	55.3	Low	121 Å²	121	129.8 Å²	129.8	57%	0.565	65%	0.646	S	S	*	*	H	α-helix	trans	-78.7	-35.1	173.3	-71.3	-168.9	-118.2	0	0	112.4	K380 D381 A382 K387	K380-Q384 VanDerWaalsContact CE-OE1 3.28Å; K380-Q384 WeakPolarHBondContact O-CG 3.47Å; K380-Q384 PolarHBondContact O-N 3.01Å; D381-Q384 PolarHBondContact O-N 3.23Å; A382-Q384 VanDerWaalsContact C-N 3.32Å; A382-Q384 PolarHBondContact O-N 3.22Å; Q384-K387 PolarHBondContact O-N 2.9Å
385	S	48.4	Very low	52.6	Low	85 Å²	85	127 Å²	127	59%	0.594	65%	0.652	S	S	*	*	H	α-helix	trans	-75.9	-20.2	177.6	49.6	0	0	0	0	114.1	D381 A382 K387	D381-S385 WeakPolarHBondContact O-CB 3.38Å; D381-S385 PolarHBondContact O-N 3.25Å; D381-S385 PolarHBondContact O-OG 2.84Å; A382-S385 WeakPolarHBondContact CA-OG 3.46Å; A382-S385 PolarHBondContact O-N 3.1Å; A382-S385 PolarHBondContact O-OG 3.15Å; S385-K387 PolarHBondContact O-N 3.03Å
386	L	50.5	Low	50.2	Low	151 Å²	151	125.7 Å²	125.7	79%	0.791	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	5	169.5	-76.2	169	0	0	0	114.5	A382	A382-L386 WeakPolarHBondContact O-CG 3.35Å; A382-L386 PolarHBondContact O-N 2.97Å; A382-L386 VanDerWaalsContact O-N 3.11Å
387	K	44.3	Very low	48	Very low	179 Å²	179	128 Å²	128	78%	0.778	67%	0.665	S	S	*	*	S	Bend	trans	-119.4	85.8	171	-71.7	-175.1	177.5	178.8	0	111.2	Q384 S385	Q384-K387 PolarHBondContact O-N 2.9Å; S385-K387 PolarHBondContact O-N 3.03Å
388	L	36.4	Very low	46.1	Very low	156 Å²	156	128.4 Å²	128.4	82%	0.817	67%	0.671	S	S	*	*			trans	-59.7	129	176.9	-75.3	161.4	0	0	0	113.1
389	N	31.8	Very low	43.8	Very low	152 Å²	152	136 Å²	136	81%	0.813	69%	0.693	S	S	*	*				-170.1	162.3	107.9	-97.7	-29.4	0	0	0	112.7
390	P	45.2	Very low	41.7	Very low	98 Å²	98	133.7 Å²	133.7	64%	0.636	70%	0.7	S	S	*	*			trans	-103.7	172.8	-159.7	39.2	-37.3	0	0	0	116.7
391	N	28.5	Very low	40.1	Very low	148 Å²	148	133.2 Å²	133.2	79%	0.791	71%	0.712	S	S	*	*			trans	104.4	154.4	158	-59.7	-39.7	0	0	0	119.6
392	V	32	Very low	38.6	Very low	127 Å²	127	135.6 Å²	135.6	77%	0.77	72%	0.723	S	S	*	*			trans	98	122.5	154.5	-161.4	0	0	0	0	119.6
393	T	31.7	Very low	37.1	Very low	118 Å²	118	140.6 Å²	140.6	72%	0.724	74%	0.743	S	S	*	*			trans	61	109.5	159.3	48.3	0	0	0	0	124.5
394	K	31.9	Very low	35.6	Very low	192 Å²	192	136.8 Å²	136.8	84%	0.835	74%	0.742	S	S	*	*				38.6	119.1	106.2	-80	-177.8	174.7	177.4	0	119.8
395	S	26.1	Very low	34.3	Very low	104 Å²	104	137.8 Å²	137.8	73%	0.727	75%	0.752	S	S	*	*				138.5	144.7	98.7	65.5	0	0	0	0	119.6
396	L	28.4	Very low	33.4	Very low	137 Å²	137	143 Å²	143	72%	0.717	76%	0.76	S	S	*	*			trans	59.8	119.5	141.9	-68.1	163.6	0	0	0	123.7
397	Q	30.2	Very low	32.3	Very low	152 Å²	152	142.2 Å²	142.2	71%	0.71	76%	0.755	S	S	*	*			trans	61.1	159.1	131.9	-62.9	-176.5	11.2	0	0	119.6
398	K	35.6	Very low	31.7	Very low	172 Å²	172	140.4 Å²	140.4	75%	0.748	75%	0.75	S	S	*	*			cis	-139.1	147.6	16.9	-109.8	129.5	174.7	-175.1	0	108.8
399	R	28.6	Very low	31.4	Very low	246 Å²	246	140.2 Å²	140.2	93%	0.928	75%	0.745	S	S	*	*				51	128.6	86.6	-67.9	-171.6	174.3	-172.6	-0.7	116.9
400	G	29.6	Very low	31.2	Very low	66 Å²	66	138.5 Å²	138.5	68%	0.68	74%	0.735	S	S	*	*			trans	141.4	112.6	166	0	0	0	0	0	112.1
401	S	36	Very low	30.7	Very low	113 Å²	113	141.5 Å²	141.5	79%	0.79	74%	0.739	S	S	*	*			cis	66.6	142.3	5.5	-69.4	0	0	0	0	114.4
402	I	36.7	Very low	31.5	Very low	140 Å²	140	140.2 Å²	140.2	72%	0.718	74%	0.738	S	S	*	*			cis	-163.9	160.4	14.9	-135.6	167.9	0	0	0	112.9
403	L	31	Very low	31.4	Very low	151 Å²	151	140.8 Å²	140.8	79%	0.791	74%	0.741	S	S	*	*			trans	57.8	165.9	166.4	-91.6	60.2	0	0	0	118.2
404	G	28.3	Very low	31.4	Very low	64 Å²	64	138.6 Å²	138.6	66%	0.66	74%	0.742	S	S	*	*			cis	-165.3	148.1	-4.1	0	0	0	0	0	109.5
405	N	29	Very low	31.4	Very low	143 Å²	143	141 Å²	141	77%	0.765	75%	0.746	S	S	*	*				92.8	125.8	60.6	-100.8	7.7	0	0	0	115.2
406	Y	28.8	Very low	31.5	Very low	194 Å²	194	146.8 Å²	146.8	76%	0.761	75%	0.752	S	S	*	*			trans	102	116.2	152.1	-82.1	-139.6	0	0	0	122.1
407	L	28.5	Very low	31.7	Very low	134 Å²	134	146.7 Å²	146.7	70%	0.702	75%	0.752	S	S	*	*			trans	42.8	152.4	138.3	-76.1	87.1	0	0	0	121.8
408	Q	31.2	Very low	31.6	Very low	141 Å²	141	143.9 Å²	143.9	66%	0.659	75%	0.749	S	S	*	*			cis	-174.9	159.8	-11.9	169.5	173.1	39.8	0	0	109.3
409	Q	29.4	Very low	31.1	Very low	152 Å²	152	140.5 Å²	140.5	71%	0.71	75%	0.747	S	S	*	*			trans	72.1	154.5	169.4	-81.7	151.8	24.4	0	0	117.4
410	D	29.4	Very low	31	Very low	116 Å²	116	133.4 Å²	133.4	62%	0.62	74%	0.735	S	S	*	*			cis	-139.5	-175.5	11.9	-144	-14.1	0	0	0	116.1
411	K	33.8	Very low	30.9	Very low	162 Å²	162	138.5 Å²	138.5	70%	0.704	74%	0.741	S	S	*	*			trans	-65.4	-173.7	-171.9	-58.8	146.8	-160	114.2	0	117.1
412	P	45	Very low	30.5	Very low	120 Å²	120	141.3 Å²	141.3	78%	0.779	74%	0.742	S	S	*	*			cis	-120.5	-167.6	-13	25.2	-0.1	0	0	0	111.9
413	V	31.1	Very low	30	Very low	139 Å²	139	140.9 Å²	140.9	84%	0.842	74%	0.74	S	S	*	*			cis	-154.6	157.1	29.4	176.4	0	0	0	0	110
414	G	30.1	Very low	29.7	Very low	72 Å²	72	141.2 Å²	141.2	74%	0.742	74%	0.738	S	S	*	*			trans	98.5	96.4	153.1	0	0	0	0	0	118.3
415	R	31.7	Very low	29.8	Very low	243 Å²	243	144.9 Å²	144.9	92%	0.917	74%	0.741	S	S	*	*			trans	-81.4	155.7	176.1	-46.7	173.6	-179.3	164.5	-1.1	110.3
416	R	29	Very low	29.7	Very low	226 Å²	226	143.8 Å²	143.8	85%	0.853	74%	0.74	S	S	*	*			cis	61.6	140.6	40.4	-80.5	-161.3	176.4	-161.5	1.6	114.4
417	L	32.1	Very low	29.7	Very low	134 Å²	134	140.8 Å²	140.8	70%	0.702	74%	0.737	S	S	*	*			cis	-167.2	163.1	-21	-128.5	178.1	0	0	0	108.7
418	S	27.9	Very low	29.7	Very low	93 Å²	93	139.5 Å²	139.5	65%	0.65	74%	0.735	S	S	*	*			trans	58.9	129.7	150.6	58.3	0	0	0	0	123.9
419	S	26.4	Very low	29.7	Very low	101 Å²	101	140.3 Å²	140.3	71%	0.706	74%	0.736	S	S	*	*			trans	76.5	117.8	131.2	62.2	0	0	0	0	123.7
420	S	26.4	Very low	29.7	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	73%	0.734	S	S	*	*			trans	80.3	122.6	134.2	-62.1	0	0	0	0	122.8
421	E	26.4	Very low	29.7	Very low	174 Å²	174	140.5 Å²	140.5	81%	0.813	74%	0.742	S	S	*	*			trans	75.7	120.6	134.2	-72.6	157.3	-173.8	0	0	122.4
422	E	27.2	Very low	29.5	Very low	171 Å²	171	138.6 Å²	138.6	80%	0.799	75%	0.745	S	S	*	*			trans	62.9	122.5	139.8	-59	-160.2	152.2	0	0	124.3
423	L	27.5	Very low	28.6	Very low	131 Å²	131	139.7 Å²	139.7	69%	0.686	74%	0.744	S	S	*	*			trans	66.2	99.1	130.9	-63.7	171.6	0	0	0	121.5
424	E	25.1	Very low	28.4	Very low	159 Å²	159	137.5 Å²	137.5	74%	0.743	73%	0.734	S	S	*	*				69.8	132	113.5	-81.8	-166.4	177.1	0	0	124.6
425	L	30.2	Very low	28.3	Very low	140 Å²	140	139.2 Å²	139.2	73%	0.733	74%	0.735	S	S	*	*			trans	96.6	152	131.1	-83.3	171.4	0	0	0	123
426	T	26.2	Very low	28.2	Very low	121 Å²	121	136.6 Å²	136.6	74%	0.742	73%	0.73	S	S	*	*			trans	75.1	145.4	169.9	71.8	0	0	0	0	117.6
427	D	28	Very low	27.9	Very low	131 Å²	131	131.6 Å²	131.6	70%	0.701	73%	0.725	S	S	*	*			cis	-153.2	155.7	6.2	-143.3	-8.5	0	0	0	117.9
428	T	29.3	Very low	27.5	Very low	107 Å²	107	130.8 Å²	130.8	66%	0.656	73%	0.73	S	S	*	*			trans	62	149.3	161.8	75.1	0	0	0	0	118.4
429	K	31.5	Very low	27.4	Very low	158 Å²	158	134.6 Å²	134.6	69%	0.687	74%	0.742	S	S	*	*			cis	-139.4	168.8	5.2	-72.9	-177.3	156.3	-74.9	0	108.3
430	E	28.4	Very low	27.8	Very low	139 Å²	139	135 Å²	135	65%	0.65	74%	0.742	S	S	*	*			cis	-165.9	-175.3	-21.5	-97.1	155.3	-174.4	0	0	104.5
431	V	29.6	Very low	27.8	Very low	133 Å²	133	135 Å²	135	81%	0.806	74%	0.742	S	S	*	*			cis	-146	177.2	22.6	-170.7	0	0	0	0	108.5
432	T	29.3	Very low	27.8	Very low	122 Å²	122	132.5 Å²	132.5	75%	0.748	74%	0.742	S	S	*	*			trans	-82.9	179.8	174.1	60.1	0	0	0	0	112.7
433	D	26.6	Very low	27.7	Very low	143 Å²	143	133.4 Å²	133.4	77%	0.765	74%	0.744	S	S	*	*			cis	-150.5	-171.2	7.6	-148.6	-40.3	0	0	0	111.5
434	S	28.1	Very low	27.7	Very low	92 Å²	92	133.7 Å²	133.7	64%	0.643	75%	0.75	S	S	*	*			trans	-97.6	150.4	-163.4	57	0	0	0	0	116.1
435	S	28.1	Very low	27.9	Very low	109 Å²	109	133.2 Å²	133.2	76%	0.762	75%	0.752	S	S	*	*			trans	-177.3	117	137.8	-87.9	0	0	0	0	116.6
436	K	28	Very low	27.6	Very low	187 Å²	187	134.7 Å²	134.7	81%	0.813	76%	0.761	S	S	*	*			trans	49.8	133.5	133.7	-60.8	-179.5	179.9	174.3	0	123.9
437	T	23.2	Very low	27.7	Very low	122 Å²	122	136.5 Å²	136.5	75%	0.748	76%	0.761	S	S	*	*			trans	71.7	119.2	139.5	46.5	0	0	0	0	122.9
438	C	24.7	Very low	27.7	Very low	117 Å²	117	136.9 Å²	136.9	79%	0.791	76%	0.763	S	S	*	*			trans	58.9	137.4	130.2	-58.3	0	0	0	0	121.8
439	L	26.1	Very low	27.7	Very low	173 Å²	173	138.9 Å²	138.9	91%	0.906	78%	0.775	S	S	*	*				-166.9	164.5	111.7	-93.6	166.7	0	0	0	109
440	P	32.9	Very low	27.9	Very low	108 Å²	108	139.5 Å²	139.5	70%	0.701	78%	0.78	S	S	*	*			trans	-109.7	171.3	-150.8	41.2	-38.3	0	0	0	117.2	C442	P440-C442 PolarHBondContact O-N 3.45Å
441	S	28.4	Very low	28	Very low	97 Å²	97	142.3 Å²	142.3	68%	0.678	79%	0.793	S	S	*	*			trans	-33.3	118.5	160.6	154.1	0	0	0	0	115.3
442	C	24.6	Very low	28.3	Very low	122 Å²	122	142.9 Å²	142.9	82%	0.824	79%	0.79	S	S	*	*			trans	-109.2	121.9	147.3	-83.5	0	0	0	0	109	P440	P440-C442 PolarHBondContact O-N 3.45Å
443	K	26.9	Very low	28.6	Very low	191 Å²	191	145.7 Å²	145.7	83%	0.83	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-80.3	119.4	171.9	-66.9	176.5	179.5	178.2	0	108.5
444	V	27	Very low	28.8	Very low	136 Å²	136	144.8 Å²	144.8	82%	0.824	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-80.2	144.3	165.7	179.3	0	0	0	0	108.1
445	L	29.2	Very low	29.1	Very low	149 Å²	149	149.1 Å²	149.1	78%	0.78	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-76.7	145.2	175.8	-54.8	92.3	0	0	0	109.9
446	D	23.9	Very low	29.3	Very low	171 Å²	171	148.9 Å²	148.9	91%	0.914	80%	0.803	S	S	*	*			trans	-130	144.7	149.3	-102	-45.3	0	0	0	107.9
447	E	27.4	Very low	29.6	Very low	159 Å²	159	150.1 Å²	150.1	74%	0.743	80%	0.803	S	S	*	*			trans	-100.6	150.5	-165.5	-68.7	-171.7	133	0	0	113.7
448	N	28.3	Very low	30.4	Very low	139 Å²	139	152.5 Å²	152.5	74%	0.743	81%	0.81	S	S	*	*			trans	51.8	103.3	146.2	-57.8	-28.5	0	0	0	119.6
449	V	30.5	Very low	31.3	Very low	150 Å²	150	152 Å²	152	91%	0.909	80%	0.803	S	S	*	*			trans	-127	136.7	132.3	-179.7	0	0	0	0	108
450	E	33.8	Very low	32.4	Very low	171 Å²	171	145.4 Å²	145.4	80%	0.799	78%	0.777	S	S	*	*			trans	-71.7	144	-173.9	-56.8	170.9	112.8	0	0	112.8
451	Q	30.8	Very low	33.7	Very low	197 Å²	197	145.5 Å²	145.5	92%	0.921	77%	0.771	S	S	*	*			trans	-141	139	147.3	-106.3	172.4	24	0	0	110
452	I	37.2	Very low	36.1	Very low	146 Å²	146	147.3 Å²	147.3	75%	0.749	77%	0.769	S	S	*	*			trans	-95.3	158.1	-168.9	-56.7	170.6	0	0	0	109.3
453	Q	35.5	Very low	39.2	Very low	180 Å²	180	143.2 Å²	143.2	84%	0.841	74%	0.736	S	S	*	*			trans	77.8	112.7	-176.2	-45.6	171.8	5.9	0	0	111.4
454	T	30.9	Very low	42.4	Very low	124 Å²	124	137.5 Å²	137.5	76%	0.761	72%	0.717	S	S	*	*			cis	-153.8	114.7	39.8	-64.7	0	0	0	0	111.1	S456	T454-S456 PolarHBondContact O-N 2.94Å
455	Q	33.3	Very low	45.6	Very low	183 Å²	183	131.4 Å²	131.4	86%	0.855	68%	0.679	S	S	*	*			trans	-88.2	85	172.1	-79.1	-168.1	-6.2	0	0	111.8	R457	Q455-R457 VanDerWaalsContact C-N 3.3Å; Q455-R457 PolarHBondContact O-N 3.25Å
456	S	33.6	Very low	48.6	Very low	105 Å²	105	126.1 Å²	126.1	73%	0.734	65%	0.65	S	S	*	*			trans	-70	94	152.4	52.9	0	0	0	0	107.9	T454 L458	T454-S456 PolarHBondContact O-N 2.94Å; S456-L458 PolarHBondContact O-N 2.88Å
457	R	34.3	Very low	52	Low	213 Å²	213	118 Å²	118	80%	0.804	61%	0.606	S	S	*	*			trans	-68.6	94.1	-175.1	-154.5	179.8	-169.1	-177.8	2.1	109.5	Q455 V459	Q455-R457 VanDerWaalsContact C-N 3.3Å; Q455-R457 PolarHBondContact O-N 3.25Å; R457-V459 HydrophobicContact CG-CG2 4.08Å; R457-V459 PolarHBondContact O-N 3.44Å
458	L	39.2	Very low	55.1	Low	172 Å²	172	110.4 Å²	110.4	90%	0.901	57%	0.571	S	S	*	*			trans	-68.4	79.1	169.6	-104.7	165.6	0	0	0	109.1	S456 G460	S456-L458 PolarHBondContact O-N 2.88Å; L458-G460 PolarHBondContact O-N 2.95Å; L458-G460 VanDerWaalsContact O-N 3.1Å
459	V	43.1	Very low	58.2	Low	105 Å²	105	103.8 Å²	103.8	64%	0.636	54%	0.536	S	S	*	.			trans	-71	97.5	165.4	-178.2	0	0	0	0	106.1	R457 L461	R457-V459 HydrophobicContact CG-CG2 4.08Å; R457-V459 PolarHBondContact O-N 3.44Å; V459-L461 PolarHBondContact O-N 3.22Å
460	G	49.7	Very low	61.1	Low	36 Å²	36	96.7 Å²	96.7	37%	0.371	49%	0.493	S	S	.	.			trans	-55.6	132.6	169.1	0	0	0	0	0	108.9	L458 Q462	L458-G460 PolarHBondContact O-N 2.95Å; L458-G460 VanDerWaalsContact O-N 3.1Å; G460-Q462 PolarHBondContact O-N 3.48Å
461	L	61	Low	63.8	Low	109 Å²	109	88.6 Å²	88.6	57%	0.571	46%	0.455	S	S	*	.			trans	-58	127.8	-175.4	-80	75.1	0	0	0	109.2	V459 T511 T512	V459-L461 PolarHBondContact O-N 3.22Å; L461-T511 HydrophobicContact CB-CG2 4.3Å; L461-T511 VanDerWaalsContact O-CG2 3.3Å; L461-T511 WeakPolarHBondContact O-CG2 3.25Å; L461-T512 PolarHBondContact O-N 2.76Å
462	Q	79.1	Confident	66.6	Low	135 Å²	135	81 Å²	81	63%	0.631	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	110.4	170.8	-172.8	175	4.2	0	0	108.5	G460 T512	G460-Q462 PolarHBondContact O-N 3.48Å; Q462-T512 CarbonylContact C-O 3.57Å; Q462-T512 VanDerWaalsContact CA-O 3.29Å; Q462-T512 WeakPolarHBondContact CA-O 3.47Å; Q462-T512 HydrophobicContact CG-CG2 4.36Å
463	R	89.3	Confident	69.1	Low	36 Å²	36	76.6 Å²	76.6	14%	0.136	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	148.7	174.9	-53.2	-163.7	-161.3	-149.9	9.8	110	F465 T511 T512 T514 D631 D632	R463-F465 HydrophobicContact CB-CE2 4.02Å; R463-F465 HydrophobicContact CB-CZ 4.05Å; R463-T511 HydrophobicContact CG-CG2 4.09Å; R463-T512 PolarHBondContact N-O 3.46Å; R463-T514 PolarHBondContact O-N 2.89Å; R463-D631 WeakPolarHBondContact CD-OD2 3.47Å; R463-D631 IonicContact CZ-OD2 3.2Å; R463-D631 IonicContact NE-OD2 3.77Å; R463-D631 IonicContact NH1-OD2 2.62Å; R463-D631 PolarHBondContact NH1-OD2 3.38Å; R463-D632 IonicContact CZ-OD1 3.04Å; R463-D632 IonicContact NH1-OD1 3.28Å; R463-D632 PolarHBondContact NH1-OD1 3.15Å; R463-D632 IonicContact NH1-OD2 3.92Å; R463-D632 IonicContact NH2-OD1 3.83Å; R463-D632 PolarHBondContact NH2-OD1 3.44Å; R463-D632 IonicContact NH2-OD2 2.7Å; R463-D632 PolarHBondContact NH2-OD2 2.86Å
464	V	92.6	Very high	71.7	Confident	71 Å²	71	70.6 Å²	70.6	43%	0.43	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	117.4	-179.5	-173.4	0	0	0	0	108.5	T514 Q516	V464-T514 VanDerWaalsContact CA-O 3.31Å; V464-T514 WeakPolarHBondContact CA-O 3.38Å; V464-Q516 HydrophobicContact CG1-CG 3.96Å
465	F	94.7	Very high	74.6	Confident	9 Å²	9	64.8 Å²	64.8	4%	0.039	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.9	-178	-61.9	-58.6	0	0	0	111.5	R463 I513 T514 L515 Q516 D538 L627 V628 D631	R463-F465 HydrophobicContact CB-CE2 4.02Å; R463-F465 HydrophobicContact CB-CZ 4.05Å; F465-I513 HydrophobicContact CD2-CG2 3.71Å; F465-I513 HydrophobicContact CE2-CG2 4.03Å; F465-T514 PolarHBondContact N-O 2.84Å; F465-L515 HydrophobicContact CB-CD2 4.03Å; F465-L515 HydrophobicContact CD2-CD2 4.26Å; F465-Q516 PolarHBondContact O-N 3.15Å; F465-D538 WeakPolarHBondContact CA-OD2 3.35Å; F465-D538 HydrophobicContact CB-CB 4.3Å; F465-D538 HydrophobicContact CD1-CB 4.11Å; F465-L627 HydrophobicContact CB-CD1 3.96Å; F465-L627 HydrophobicContact CD1-CB 4.42Å; F465-L627 HydrophobicContact CD2-CB 3.84Å; F465-L627 HydrophobicContact CD2-CD1 4.14Å; F465-L627 HydrophobicContact CE1-CB 4.48Å; F465-L627 HydrophobicContact CE2-CB 3.9Å; F465-L627 HydrophobicContact CG-CB 4.12Å; F465-L627 HydrophobicContact CG-CD1 4.14Å; F465-L627 HydrophobicContact CZ-CB 4.23Å; F465-V628 HydrophobicContact CE2-CG2 3.81Å; F465-V628 HydrophobicContact CZ-CG2 4.19Å; F465-D631 HydrophobicContact CE1-CB 3.79Å; F465-D631 HydrophobicContact CZ-CB 3.87Å
466	K	93.6	Very high	77.5	Confident	37 Å²	37	56.7 Å²	56.7	16%	0.161	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	112.3	176.7	174.3	166.8	164	-154.2	0	110.7	V468 Y533 R535 K536 A537 D538 G539	K466-V468 HydrophobicContact CG-CG2 4.24Å; K466-Y533 WeakPolarHBondContact CE-O 3.42Å; K466-Y533 PolarHBondContact NZ-O 3.3Å; K466-R535 PolarHBondContact NZ-O 2.91Å; K466-K536 WeakPolarHBondContact CD-O 3.4Å; K466-K536 PolarHBondContact NZ-O 3.45Å; K466-A537 HydrophobicContact CG-CB 4.4Å; K466-D538 PolarHBondContact N-OD2 3.19Å; K466-D538 PolarHBondContact O-N 2.77Å; K466-G539 PolarHBondContact O-N 3.02Å
467	V	94.4	Very high	80.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.1	179	-176.1	0	0	0	0	109.9	F469 L515 Q516 L517 W518 G539 L541 L623 L627	V467-F469 HydrophobicContact CG1-CD2 4.39Å; V467-F469 HydrophobicContact CG1-CE2 3.92Å; V467-L515 HydrophobicContact CG2-CD2 4.22Å; V467-Q516 PolarHBondContact N-O 2.97Å; V467-Q516 VanDerWaalsContact O-O 3.08Å; V467-L517 HydrophobicContact CB-CD2 4.09Å; V467-L517 HydrophobicContact CG1-CD2 4.49Å; V467-W518 PolarHBondContact O-N 3.3Å; V467-G539 VanDerWaalsContact CA-O 3.27Å; V467-G539 WeakPolarHBondContact CA-O 3.48Å; V467-L541 HydrophobicContact CG1-CD1 4Å; V467-L541 HydrophobicContact CG1-CD2 4.46Å; V467-L623 HydrophobicContact CG1-CD2 3.9Å; V467-L623 HydrophobicContact CG2-CD2 4.05Å; V467-L627 HydrophobicContact CG2-CD1 4.18Å
468	V	93	Very high	83.1	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128	-178.1	-174.5	0	0	0	0	111.1	K466 L470 W518 T520 A537 G539 I540 L541	K466-V468 HydrophobicContact CG-CG2 4.24Å; V468-L470 HydrophobicContact CG1-CD2 4.07Å; V468-L470 HydrophobicContact CG1-CG 4.46Å; V468-W518 HydrophobicContact CB-CB 4.49Å; V468-W518 HydrophobicContact CG1-CB 4.38Å; V468-W518 HydrophobicContact CG2-CB 4.14Å; V468-W518 HydrophobicContact CG2-CG 4.31Å; V468-T520 HydrophobicContact CG1-CG2 3.85Å; V468-A537 HydrophobicContact CB-CB 4.47Å; V468-A537 HydrophobicContact CG2-CB 3.74Å; V468-G539 PolarHBondContact N-O 2.65Å; V468-I540 WeakPolarHBondContact O-CA 3.41Å; V468-L541 PolarHBondContact O-N 3.19Å
469	F	93.4	Very high	85.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.8	-179.3	-74.8	-109.2	0	0	0	111.3	V467 K477 F480 I481 L517 W518 T520 L541 M543 M620	V467-F469 HydrophobicContact CG1-CD2 4.39Å; V467-F469 HydrophobicContact CG1-CE2 3.92Å; F469-K477 HydrophobicContact CB-CB 4.26Å; F469-K477 HydrophobicContact CB-CD 4.18Å; F469-K477 WeakPolarHBondContact O-CE 3.19Å; F469-F480 AromaticContact CE1-CD1 3.52Å; F469-F480 HydrophobicContact CE1-CD1 3.52Å; F469-F480 AromaticContact CE1-CE1 3.89Å; F469-F480 HydrophobicContact CE1-CE1 3.89Å; F469-F480 HydrophobicContact CE1-CG 4.29Å; F469-F480 AromaticContact CZ-CD1 3.87Å; F469-F480 HydrophobicContact CZ-CD1 3.87Å; F469-F480 AromaticContact CZ-CE1 3.97Å; F469-F480 HydrophobicContact CZ-CE1 3.97Å; F469-I481 HydrophobicContact CB-CD1 4.14Å; F469-I481 HydrophobicContact CD1-CD1 4.21Å; F469-I481 HydrophobicContact CD1-CG1 4.22Å; F469-I481 HydrophobicContact CD2-CD1 3.6Å; F469-I481 HydrophobicContact CD2-CG1 3.91Å; F469-I481 HydrophobicContact CE1-CG1 4.07Å; F469-I481 HydrophobicContact CE2-CD1 3.99Å; F469-I481 HydrophobicContact CE2-CG1 3.76Å; F469-I481 HydrophobicContact CG-CD1 3.73Å; F469-I481 HydrophobicContact CG-CG1 4.14Å; F469-I481 HydrophobicContact CZ-CD1 4.44Å; F469-I481 HydrophobicContact CZ-CG1 3.84Å; F469-L517 HydrophobicContact CE2-CB 4.27Å; F469-L517 HydrophobicContact CE2-CD2 4.18Å; F469-W518 PolarHBondContact N-O 2.93Å; F469-T520 PolarHBondContact O-OG1 3.1Å; F469-T520 VanDerWaalsContact O-OG1 3.09Å; F469-L541 CarbonylContact C-O 3.55Å; F469-L541 WeakPolarHBondContact CA-O 3.37Å; F469-L541 HydrophobicContact CD1-CB 3.99Å; F469-L541 HydrophobicContact CD1-CD2 4.26Å; F469-L541 HydrophobicContact CE1-CB 4.11Å; F469-L541 HydrophobicContact CE1-CD2 3.51Å; F469-L541 HydrophobicContact CE1-CG 4.46Å; F469-L541 HydrophobicContact CE2-CD2 4.22Å; F469-L541 HydrophobicContact CG-CB 4.26Å; F469-L541 HydrophobicContact CZ-CB 4.48Å; F469-L541 HydrophobicContact CZ-CD2 3.49Å; F469-L541 VanDerWaalsContact CZ-CD2 3.49Å; F469-M543 HydrophobicContact CD1-CE 4.33Å; F469-M543 HydrophobicContact CE1-CE 4.38Å; F469-M620 HydrophobicContact CZ-SD 4.45Å
470	L	91.3	Very high	88.2	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	159.7	-175.9	-59.8	179.4	0	0	0	111.9	V468 K477 T520 T530 Y534 I540 L541 M543 V562	V468-L470 HydrophobicContact CG1-CD2 4.07Å; V468-L470 HydrophobicContact CG1-CG 4.46Å; L470-K477 VanDerWaalsContact O-CD 3.28Å; L470-K477 WeakPolarHBondContact O-CD 3.47Å; L470-T520 HydrophobicContact CD2-CG2 4.2Å; L470-T530 HydrophobicContact CD2-CG2 3.53Å; L470-Y534 HydrophobicContact CD1-CD1 4.19Å; L470-Y534 HydrophobicContact CD2-CD1 4.28Å; L470-I540 HydrophobicContact CD1-CG2 3.6Å; L470-I540 HydrophobicContact CG-CG2 4.21Å; L470-L541 PolarHBondContact N-O 3.36Å; L470-M543 PolarHBondContact O-N 2.98Å; L470-V562 HydrophobicContact CD1-CG2 3.52Å
471	G	90.9	Very high	90.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.169	C	C	.	.			trans	125.8	165.1	-178.1	0	0	0	0	0	113.2	K477 G522	G471-K477 PolarHBondContact O-NZ 3.38Å; G471-G522 WeakPolarHBondContact O-CA 3.24Å
472	N	89.6	Confident	91.8	Very high	38 Å²	38	28 Å²	28	20%	0.203	16%	0.158	C	C	.	.			trans	-59.4	167.3	-170.9	-78.6	24.6	0	0	0	114.2	V475 G522 A554 W558	N472-V475 HydrophobicContact CB-CG1 4.1Å; N472-V475 VanDerWaalsContact O-CG2 3.32Å; N472-V475 WeakPolarHBondContact O-CG2 3.47Å; N472-G522 CarbonylContact C-O 3.57Å; N472-G522 VanDerWaalsContact C-O 3.28Å; N472-G522 VanDerWaalsContact CA-O 3.27Å; N472-G522 WeakPolarHBondContact CA-O 3.34Å; N472-A554 WeakPolarHBondContact ND2-CB 3.4Å; N472-A554 WeakPolarHBondContact OD1-CB 3.32Å; N472-W558 PolarHBondContact OD1-NE1 3.22Å
473	S	89.2	Confident	92.5	Very high	53 Å²	53	23 Å²	23	37%	0.371	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	151.4	169.6	-160	0	0	0	0	110.7	V475 S495 G522	S473-V475 PolarHBondContact O-N 3.26Å; S473-V475 VanDerWaalsContact O-N 3.16Å; S473-S495 PolarHBondContact OG-OG 3.3Å; S473-G522 PolarHBondContact N-O 2.68Å
474	G	89	Confident	92.8	Very high	55 Å²	55	22 Å²	22	57%	0.567	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	74	-8.3	178.2	0	0	0	0	0	117	G476 K578	G474-G476 PolarHBondContact O-N 2.63Å; G474-K578 WeakPolarHBondContact O-CE 3.5Å; G474-K578 PolarHBondContact O-NZ 3.04Å
475	V	92.8	Very high	92.7	Very high	2 Å²	2	20 Å²	20	1%	0.012	12%	0.12	C	C	.	.	S	Bend	trans	-71.9	-13.9	178.4	-51.4	0	0	0	0	113.7	N472 S473 K477 M543 D545 N577	N472-V475 HydrophobicContact CB-CG1 4.1Å; N472-V475 VanDerWaalsContact O-CG2 3.32Å; N472-V475 WeakPolarHBondContact O-CG2 3.47Å; S473-V475 PolarHBondContact O-N 3.26Å; S473-V475 VanDerWaalsContact O-N 3.16Å; V475-K477 HydrophobicContact CG2-CD 4.28Å; V475-K477 HydrophobicContact CG2-CG 3.61Å; V475-M543 HydrophobicContact CB-CG 4.47Å; V475-M543 HydrophobicContact CG2-CB 4.12Å; V475-M543 HydrophobicContact CG2-CG 3.97Å; V475-M543 HydrophobicContact CG2-SD 4.27Å; V475-D545 HydrophobicContact CG1-CB 4.46Å; V475-N577 PolarHBondContact O-ND2 2.91Å
476	G	92.8	Very high	92.4	Very high	13 Å²	13	23.1 Å²	23.1	13%	0.134	14%	0.14	C	C	.	.			trans	99.4	16.3	170.5	0	0	0	0	0	117	G474 T478 S479 F480	G474-G476 PolarHBondContact O-N 2.63Å; G476-T478 PolarHBondContact O-N 3.11Å; G476-S479 WeakPolarHBondContact O-CA 3.45Å; G476-S479 WeakPolarHBondContact O-CB 3.36Å; G476-S479 PolarHBondContact O-N 3.06Å; G476-S479 VanDerWaalsContact O-N 3.09Å; G476-F480 PolarHBondContact O-N 3.01Å
477	K	93.4	Very high	92.1	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.035	16%	0.158	C	C	.	.	H	α-helix	trans	-50.3	-54	179.3	-49.8	-165.3	-49.8	-77	0	113.2	F469 L470 G471 V475 S479 F480 I481 D519 T520 M543	F469-K477 HydrophobicContact CB-CB 4.26Å; F469-K477 HydrophobicContact CB-CD 4.18Å; F469-K477 WeakPolarHBondContact O-CE 3.19Å; L470-K477 VanDerWaalsContact O-CD 3.28Å; L470-K477 WeakPolarHBondContact O-CD 3.47Å; G471-K477 PolarHBondContact O-NZ 3.38Å; V475-K477 HydrophobicContact CG2-CD 4.28Å; V475-K477 HydrophobicContact CG2-CG 3.61Å; K477-S479 VanDerWaalsContact C-N 3.3Å; K477-S479 PolarHBondContact O-N 3.44Å; K477-F480 WeakPolarHBondContact O-CB 3.31Å; K477-F480 PolarHBondContact O-N 3.49Å; K477-F480 VanDerWaalsContact O-N 3.15Å; K477-I481 WeakPolarHBondContact O-CG1 3.27Å; K477-I481 PolarHBondContact O-N 2.92Å; K477-D519 WeakPolarHBondContact CB-OD1 3.47Å; K477-T520 WeakPolarHBondContact CE-O 3.18Å; K477-T520 PolarHBondContact NZ-O 3.05Å; K477-M543 HydrophobicContact CB-SD 4.44Å; K477-M543 HydrophobicContact CG-CB 4.2Å; K477-M543 HydrophobicContact CG-SD 4.04Å
478	T	93	Very high	91.5	Very high	21 Å²	21	29.1 Å²	29.1	13%	0.129	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-36.3	177.9	-27.7	0	0	0	0	112.3	G476 R482 M493 T496 D519	G476-T478 PolarHBondContact O-N 3.11Å; T478-R482 WeakPolarHBondContact O-CB 3.44Å; T478-R482 PolarHBondContact O-N 3.3Å; T478-M493 HydrophobicContact CG2-CE 3.55Å; T478-T496 PolarHBondContact OG1-OG1 2.93Å; T478-D519 VanDerWaalsContact CB-OD2 3.29Å; T478-D519 WeakPolarHBondContact CB-OD2 3.37Å; T478-D519 VanDerWaalsContact CG2-OD2 3.24Å; T478-D519 WeakPolarHBondContact CG2-OD2 3.48Å; T478-D519 PolarHBondContact N-OD1 2.88Å; T478-D519 PolarHBondContact OG1-OD1 3.38Å; T478-D519 PolarHBondContact OG1-OD2 3Å
479	S	93.9	Very high	91	Very high	16 Å²	16	33.4 Å²	33.4	11%	0.112	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-40.3	175.6	-47	0	0	0	0	111.2	G476 K477 H483 M493	G476-S479 WeakPolarHBondContact O-CA 3.45Å; G476-S479 WeakPolarHBondContact O-CB 3.36Å; G476-S479 PolarHBondContact O-N 3.06Å; G476-S479 VanDerWaalsContact O-N 3.09Å; K477-S479 VanDerWaalsContact C-N 3.3Å; K477-S479 PolarHBondContact O-N 3.44Å; S479-H483 VanDerWaalsContact O-CB 3.29Å; S479-H483 WeakPolarHBondContact O-CB 3.44Å; S479-H483 PolarHBondContact O-N 2.95Å; S479-M493 PolarHBondContact OG-SD 2.95Å
480	F	95.2	Very high	90.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-53.3	175.7	-176.5	-77.3	0	0	0	110.7	F469 G476 K477 R482 H483 Y484 M543 A610 M616 L619 M620	F469-F480 AromaticContact CE1-CD1 3.52Å; F469-F480 HydrophobicContact CE1-CD1 3.52Å; F469-F480 AromaticContact CE1-CE1 3.89Å; F469-F480 HydrophobicContact CE1-CE1 3.89Å; F469-F480 HydrophobicContact CE1-CG 4.29Å; F469-F480 AromaticContact CZ-CD1 3.87Å; F469-F480 HydrophobicContact CZ-CD1 3.87Å; F469-F480 AromaticContact CZ-CE1 3.97Å; F469-F480 HydrophobicContact CZ-CE1 3.97Å; G476-F480 PolarHBondContact O-N 3.01Å; K477-F480 WeakPolarHBondContact O-CB 3.31Å; K477-F480 PolarHBondContact O-N 3.49Å; K477-F480 VanDerWaalsContact O-N 3.15Å; F480-R482 VanDerWaalsContact C-N 3.35Å; F480-R482 PolarHBondContact O-N 2.88Å; F480-H483 PolarHBondContact O-N 2.83Å; F480-Y484 WeakPolarHBondContact O-CB 3.47Å; F480-Y484 PolarHBondContact O-N 2.81Å; F480-M543 HydrophobicContact CB-CE 3.91Å; F480-M543 HydrophobicContact CD2-CE 3.91Å; F480-M543 HydrophobicContact CG-CE 3.88Å; F480-A610 HydrophobicContact CB-CB 3.97Å; F480-A610 HydrophobicContact CD2-CB 4.37Å; F480-M616 HydrophobicContact CB-CE 4.29Å; F480-M616 HydrophobicContact CD1-CE 3.94Å; F480-M616 HydrophobicContact CD2-CE 3.5Å; F480-M616 VanDerWaalsContact CD2-CE 3.5Å; F480-M616 HydrophobicContact CD2-CG 4.21Å; F480-M616 HydrophobicContact CD2-SD 4.25Å; F480-M616 HydrophobicContact CE1-CE 4.03Å; F480-M616 HydrophobicContact CE2-CB 4.23Å; F480-M616 HydrophobicContact CE2-CE 3.61Å; F480-M616 HydrophobicContact CE2-CG 3.67Å; F480-M616 HydrophobicContact CE2-SD 4.26Å; F480-M616 HydrophobicContact CG-CE 3.65Å; F480-M616 HydrophobicContact CZ-CB 4.31Å; F480-M616 HydrophobicContact CZ-CE 3.85Å; F480-M616 HydrophobicContact CZ-CG 4.24Å; F480-M616 WeakPolarHBondContact O-CE 3.45Å; F480-L619 HydrophobicContact CE2-CD2 3.97Å; F480-L619 HydrophobicContact CZ-CD1 3.9Å; F480-L619 HydrophobicContact CZ-CD2 4.03Å; F480-L619 HydrophobicContact CZ-CG 4.18Å; F480-M620 HydrophobicContact CE1-CG 4.09Å; F480-M620 HydrophobicContact CE1-SD 3.88Å; F480-M620 HydrophobicContact CZ-CG 4.06Å; F480-M620 HydrophobicContact CZ-SD 4.21Å
481	I	94.6	Very high	89.5	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-46.8	179.6	-65.9	161.1	0	0	0	110.4	F469 K477 H483 Y484 C485 Q502 L517 D519	F469-I481 HydrophobicContact CB-CD1 4.14Å; F469-I481 HydrophobicContact CD1-CD1 4.21Å; F469-I481 HydrophobicContact CD1-CG1 4.22Å; F469-I481 HydrophobicContact CD2-CD1 3.6Å; F469-I481 HydrophobicContact CD2-CG1 3.91Å; F469-I481 HydrophobicContact CE1-CG1 4.07Å; F469-I481 HydrophobicContact CE2-CD1 3.99Å; F469-I481 HydrophobicContact CE2-CG1 3.76Å; F469-I481 HydrophobicContact CG-CD1 3.73Å; F469-I481 HydrophobicContact CG-CG1 4.14Å; F469-I481 HydrophobicContact CZ-CD1 4.44Å; F469-I481 HydrophobicContact CZ-CG1 3.84Å; K477-I481 WeakPolarHBondContact O-CG1 3.27Å; K477-I481 PolarHBondContact O-N 2.92Å; I481-H483 PolarHBondContact O-N 3.3Å; I481-Y484 PolarHBondContact O-N 3.46Å; I481-C485 VanDerWaalsContact O-CB 3.32Å; I481-C485 WeakPolarHBondContact O-CB 3.3Å; I481-C485 PolarHBondContact O-N 2.94Å; I481-C485 PolarHBondContact O-SG 3.06Å; I481-Q502 HydrophobicContact CG2-CB 4.13Å; I481-Q502 HydrophobicContact CG2-CG 4.28Å; I481-L517 HydrophobicContact CG1-CB 4.45Å; I481-L517 HydrophobicContact CG2-CB 4.06Å; I481-L517 HydrophobicContact CG2-CD1 4.15Å; I481-D519 HydrophobicContact CD1-CB 3.54Å
482	R	92.6	Very high	88.7	Confident	90 Å²	90	47.5 Å²	47.5	34%	0.34	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-44.5	178.7	-176.3	174.4	-64.6	170.7	1.4	112.6	T478 F480 T486	T478-R482 WeakPolarHBondContact O-CB 3.44Å; T478-R482 PolarHBondContact O-N 3.3Å; F480-R482 VanDerWaalsContact C-N 3.35Å; F480-R482 PolarHBondContact O-N 2.88Å; R482-T486 WeakPolarHBondContact O-CB 3.48Å; R482-T486 PolarHBondContact O-N 3Å; R482-T486 PolarHBondContact O-OG1 3.03Å
483	H	94.1	Very high	88	Confident	32 Å²	32	48.2 Å²	48.2	15%	0.148	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-49.1	178.5	-166.4	159.9	0	0	0	110.1	S479 F480 I481 C485 T486 G487 A610 G613 M616	S479-H483 VanDerWaalsContact O-CB 3.29Å; S479-H483 WeakPolarHBondContact O-CB 3.44Å; S479-H483 PolarHBondContact O-N 2.95Å; F480-H483 PolarHBondContact O-N 2.83Å; I481-H483 PolarHBondContact O-N 3.3Å; H483-C485 VanDerWaalsContact C-N 3.31Å; H483-C485 PolarHBondContact O-N 3.32Å; H483-T486 PolarHBondContact O-N 3.07Å; H483-G487 WeakPolarHBondContact O-CA 3.4Å; H483-G487 PolarHBondContact O-N 3.29Å; H483-A610 PolarHBondContact ND1-O 3.18Å; H483-G613 PolarHBondContact CE1-N 3.47Å; H483-M616 HydrophobicContact CB-CE 4Å; H483-M616 HydrophobicContact CB-SD 4.35Å
484	Y	94	Very high	87.5	Confident	13 Å²	13	51 Å²	51	5%	0.051	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-39.6	178.7	-178.1	-115.6	0	0	0	112.4	F480 I481 K504 L517 D617 M620	F480-Y484 WeakPolarHBondContact O-CB 3.47Å; F480-Y484 PolarHBondContact O-N 2.81Å; I481-Y484 PolarHBondContact O-N 3.46Å; Y484-K504 HydrophobicContact CD1-CB 4.3Å; Y484-K504 HydrophobicContact CD1-CD 4.22Å; Y484-K504 HydrophobicContact CD1-CG 4.2Å; Y484-K504 HydrophobicContact CE1-CB 3.76Å; Y484-K504 HydrophobicContact CE1-CD 3.98Å; Y484-K504 HydrophobicContact CE1-CG 3.53Å; Y484-K504 WeakPolarHBondContact O-CE 3.37Å; Y484-K504 PolarHBondContact O-NZ 3.45Å; Y484-L517 HydrophobicContact CD1-CD1 3.79Å; Y484-L517 HydrophobicContact CE1-CD1 4.2Å; Y484-D617 WeakPolarHBondContact CD2-OD1 3.37Å; Y484-D617 WeakPolarHBondContact CE2-OD1 3.29Å; Y484-M620 HydrophobicContact CD1-CE 4.14Å; Y484-M620 HydrophobicContact CD1-CG 4.32Å; Y484-M620 HydrophobicContact CD2-CB 4.48Å; Y484-M620 HydrophobicContact CD2-CG 4.11Å; Y484-M620 HydrophobicContact CE1-CB 4.18Å; Y484-M620 HydrophobicContact CE1-CE 3.7Å; Y484-M620 HydrophobicContact CE1-CG 4.04Å; Y484-M620 HydrophobicContact CE2-CB 3.71Å; Y484-M620 HydrophobicContact CE2-CG 3.82Å; Y484-M620 HydrophobicContact CG-CG 4.36Å; Y484-M620 WeakPolarHBondContact OH-CB 3.33Å
485	C	92.1	Very high	87.2	Confident	29 Å²	29	51.5 Å²	51.5	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-70	-49	175.5	-72.3	0	0	0	0	113.2	I481 H483 Q502	I481-C485 VanDerWaalsContact O-CB 3.32Å; I481-C485 WeakPolarHBondContact O-CB 3.3Å; I481-C485 PolarHBondContact O-N 2.94Å; I481-C485 PolarHBondContact O-SG 3.06Å; H483-C485 VanDerWaalsContact C-N 3.31Å; H483-C485 PolarHBondContact O-N 3.32Å; C485-Q502 PolarHBondContact SG-OE1 3.07Å
486	T	88	Confident	86.5	Confident	75 Å²	75	52.8 Å²	52.8	46%	0.46	31%	0.307	S	S	.	.	H	α-helix	trans	-110	-7	-162.3	70.3	0	0	0	0	115.9	R482 H483 N488	R482-T486 WeakPolarHBondContact O-CB 3.48Å; R482-T486 PolarHBondContact O-N 3Å; R482-T486 PolarHBondContact O-OG1 3.03Å; H483-T486 PolarHBondContact O-N 3.07Å; T486-N488 PolarHBondContact O-N 2.88Å; T486-N488 PolarHBondContact O-ND2 3.12Å; T486-N488 PolarHBondContact OG1-N 2.9Å
487	G	86	Confident	85.8	Confident	52 Å²	52	58.6 Å²	58.6	54%	0.536	34%	0.34	S	S	.	.	S	Bend	trans	72.5	2.5	-172.2	0	0	0	0	0	114.9	H483	H483-G487 WeakPolarHBondContact O-CA 3.4Å; H483-G487 PolarHBondContact O-N 3.29Å
488	N	81.7	Confident	85	Confident	112 Å²	112	60 Å²	60	60%	0.599	36%	0.356	S	S	*	.			trans	-120.7	123.4	-173	-68	-60.2	0	0	0	112.3	T486	T486-N488 PolarHBondContact O-N 2.88Å; T486-N488 PolarHBondContact O-ND2 3.12Å; T486-N488 PolarHBondContact OG1-N 2.9Å
489	Y	83.2	Confident	84.5	Confident	90 Å²	90	61 Å²	61	35%	0.353	36%	0.362	S	S	.	.			trans	-83.3	146.1	165.3	177.2	-106.6	0	0	0	111.3	A610 K611	Y489-A610 WeakPolarHBondContact CD2-O 3.27Å; Y489-K611 HydrophobicContact CD1-CB 4.38Å; Y489-K611 HydrophobicContact CD1-CG 3.88Å; Y489-K611 HydrophobicContact CD2-CB 4.32Å; Y489-K611 HydrophobicContact CE1-CB 4.22Å; Y489-K611 HydrophobicContact CE1-CG 3.68Å; Y489-K611 HydrophobicContact CE2-CB 4.13Å; Y489-K611 HydrophobicContact CE2-CG 4.5Å; Y489-K611 HydrophobicContact CG-CB 4.42Å; Y489-K611 HydrophobicContact CG-CG 4.38Å
490	C	80.4	Confident	84.2	Confident	49 Å²	49	63.2 Å²	63.2	33%	0.331	37%	0.373	S	S	.	.			trans	-127	125.2	169.5	-177.7	0	0	0	0	110	K492 M493	C490-K492 PolarHBondContact SG-O 3.38Å; C490-M493 HydrophobicContact CB-CG 4.14Å; C490-M493 HydrophobicContact CB-SD 4.41Å; C490-M493 WeakPolarHBondContact O-CG 3.45Å
491	S	73.7	Confident	83.8	Confident	100 Å²	100	67 Å²	67	70%	0.699	39%	0.39	S	S	*	.	S	Bend	trans	-80.4	-20.9	179.6	-165.6	0	0	0	0	113.8
492	K	72.6	Confident	83.7	Confident	148 Å²	148	68.9 Å²	68.9	64%	0.643	40%	0.398	S	S	*	.			trans	-100.1	82.4	176	-68.7	-166.2	179.5	-166	0	109.5	E266 C490	E266-K492 IonicContact OE1-NZ 3.65Å; E266-K492 PolarHBondContact OE1-NZ 3.28Å; E266-K492 IonicContact OE2-NZ 2.65Å; E266-K492 PolarHBondContact OE2-NZ 3.07Å; C490-K492 PolarHBondContact SG-O 3.38Å
493	M	76.6	Confident	83.7	Confident	53 Å²	53	69.9 Å²	69.9	26%	0.261	41%	0.408	S	S	.	.			trans	-114.7	127.8	175.7	-69.9	-173	61.2	0	0	111.1	T478 S479 C490	T478-M493 HydrophobicContact CG2-CE 3.55Å; S479-M493 PolarHBondContact OG-SD 2.95Å; C490-M493 HydrophobicContact CB-CG 4.14Å; C490-M493 HydrophobicContact CB-SD 4.41Å; C490-M493 WeakPolarHBondContact O-CG 3.45Å
494	S	77.5	Confident	83.7	Confident	113 Å²	113	71.2 Å²	71.2	79%	0.79	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-70	164.2	168.1	47	0	0	0	0	111.2
495	S	82.7	Confident	83.6	Confident	65 Å²	65	74.3 Å²	74.3	46%	0.455	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-67.5	133	171.6	-70.8	0	0	0	0	110.8	S473 V497	S473-S495 PolarHBondContact OG-OG 3.3Å; S495-V497 PolarHBondContact O-N 2.72Å
496	T	79	Confident	83.6	Confident	29 Å²	29	74 Å²	74	18%	0.178	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-57.8	125.5	171.7	-52.4	0	0	0	0	110.4	T478 D519 A521	T478-T496 PolarHBondContact OG1-OG1 2.93Å; T496-D519 WeakPolarHBondContact CB-OD2 3.44Å; T496-D519 WeakPolarHBondContact CG2-OD2 3.27Å; T496-D519 PolarHBondContact OG1-OD2 3.46Å; T496-A521 VanDerWaalsContact O-CB 3.23Å; T496-A521 WeakPolarHBondContact O-CB 3.36Å
497	V	77.7	Confident	83.7	Confident	135 Å²	135	76.8 Å²	76.8	82%	0.818	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-97.5	120.4	171.4	-179.4	0	0	0	0	107.7	S495	S495-V497 PolarHBondContact O-N 2.72Å
498	G	76.3	Confident	83.8	Confident	37 Å²	37	75.2 Å²	75.2	38%	0.381	42%	0.42	S	S	.	.	S	Bend	trans	74.4	-124.2	-176.6	0	0	0	0	0	113.3	A521	G498-A521 WeakPolarHBondContact O-CB 3.26Å; G498-A521 PolarHBondContact O-N 3.27Å
499	V	83.1	Confident	83.7	Confident	41 Å²	41	76.6 Å²	76.6	25%	0.248	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	129.4	-174.7	177.3	0	0	0	0	109.1	W518 D519 Y533	V499-W518 HydrophobicContact CG1-CE3 3.82Å; V499-W518 HydrophobicContact CG1-CZ3 4.49Å; V499-D519 CarbonylContact C-O 3.28Å; V499-D519 VanDerWaalsContact CA-O 3.24Å; V499-D519 WeakPolarHBondContact CA-O 3.26Å; V499-D519 WeakPolarHBondContact CG1-O 3.41Å; V499-Y533 HydrophobicContact CB-CD1 4.32Å; V499-Y533 HydrophobicContact CB-CE1 4.07Å; V499-Y533 HydrophobicContact CG1-CD1 3.92Å; V499-Y533 HydrophobicContact CG1-CE1 4.08Å; V499-Y533 HydrophobicContact CG1-CG 4.45Å; V499-Y533 HydrophobicContact CG2-CD1 4.05Å; V499-Y533 HydrophobicContact CG2-CD2 3.92Å; V499-Y533 HydrophobicContact CG2-CE1 3.94Å; V499-Y533 HydrophobicContact CG2-CE2 3.83Å; V499-Y533 HydrophobicContact CG2-CG 4.03Å
500	D	86.6	Confident	83.6	Confident	63 Å²	63	77.5 Å²	77.5	34%	0.337	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	155.9	175.4	-176.8	34.2	0	0	0	110.7	Q502 W518 D519	D500-Q502 PolarHBondContact OD2-NE2 2.95Å; D500-Q502 VanDerWaalsContact OD2-NE2 3.14Å; D500-W518 WeakPolarHBondContact O-CA 3.49Å; D500-D519 HydrophobicContact CB-CB 4.23Å; D500-D519 PolarHBondContact N-O 3.31Å; D500-D519 PolarHBondContact O-N 3.05Å
501	F	86.9	Confident	83.8	Confident	81 Å²	81	76.4 Å²	76.4	36%	0.355	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	125.7	-170.1	176.6	-90.2	0	0	0	112	M503 Q516 W518	F501-M503 HydrophobicContact CE1-CE 3.87Å; F501-M503 HydrophobicContact CE1-CG 3.86Å; F501-M503 HydrophobicContact CZ-CE 3.62Å; F501-M503 HydrophobicContact CZ-CG 3.88Å; F501-Q516 HydrophobicContact CE2-CB 3.84Å; F501-Q516 HydrophobicContact CE2-CG 4.12Å; F501-Q516 HydrophobicContact CZ-CB 4.16Å; F501-Q516 HydrophobicContact CZ-CG 4.02Å; F501-W518 AromaticContact CD2-CD2 3.79Å; F501-W518 HydrophobicContact CD2-CD2 3.79Å; F501-W518 AromaticContact CD2-CE2 3.52Å; F501-W518 HydrophobicContact CD2-CE3 4.18Å; F501-W518 HydrophobicContact CD2-CG 4.28Å; F501-W518 HydrophobicContact CD2-CH2 4.13Å; F501-W518 AromaticContact CD2-CZ2 3.73Å; F501-W518 HydrophobicContact CD2-CZ2 3.73Å; F501-W518 HydrophobicContact CD2-CZ3 4.34Å; F501-W518 AromaticContact CD2-NE1 3.82Å; F501-W518 HydrophobicContact CE2-CD2 4.35Å; F501-W518 AromaticContact CE2-CE2 3.63Å; F501-W518 HydrophobicContact CE2-CH2 4.44Å; F501-W518 AromaticContact CE2-CZ2 3.69Å; F501-W518 HydrophobicContact CE2-CZ2 3.69Å; F501-W518 AromaticContact CE2-NE1 3.65Å
502	Q	92.4	Very high	84.6	Confident	40 Å²	40	73.8 Å²	73.8	19%	0.187	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.9	176.2	-60.9	179.2	30.4	0	0	110.6	I481 C485 D500 L517	I481-Q502 HydrophobicContact CG2-CB 4.13Å; I481-Q502 HydrophobicContact CG2-CG 4.28Å; C485-Q502 PolarHBondContact SG-OE1 3.07Å; D500-Q502 PolarHBondContact OD2-NE2 2.95Å; D500-Q502 VanDerWaalsContact OD2-NE2 3.14Å; Q502-L517 PolarHBondContact N-O 3.02Å; Q502-L517 PolarHBondContact O-N 3.44Å
503	M	92.4	Very high	85.6	Confident	110 Å²	110	66.8 Å²	66.8	54%	0.542	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.3	173.5	-69.1	-172.7	-178.3	0	0	110.6	F501 T514 L515 Q516	F501-M503 HydrophobicContact CE1-CE 3.87Å; F501-M503 HydrophobicContact CE1-CG 3.86Å; F501-M503 HydrophobicContact CZ-CE 3.62Å; F501-M503 HydrophobicContact CZ-CG 3.88Å; M503-T514 HydrophobicContact CB-CG2 4.29Å; M503-T514 HydrophobicContact CG-CG2 4.41Å; M503-T514 HydrophobicContact SD-CG2 4.07Å; M503-L515 WeakPolarHBondContact CA-O 3.5Å; M503-Q516 HydrophobicContact CE-CG 4.29Å; M503-Q516 HydrophobicContact CG-CG 4.42Å
504	K	93.9	Very high	86.4	Confident	61 Å²	61	64.6 Å²	64.6	27%	0.265	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.2	165.8	-172.1	95.4	179.6	-170.6	0	109.1	Y484 L515 L517	Y484-K504 HydrophobicContact CD1-CB 4.3Å; Y484-K504 HydrophobicContact CD1-CD 4.22Å; Y484-K504 HydrophobicContact CD1-CG 4.2Å; Y484-K504 HydrophobicContact CE1-CB 3.76Å; Y484-K504 HydrophobicContact CE1-CD 3.98Å; Y484-K504 HydrophobicContact CE1-CG 3.53Å; Y484-K504 WeakPolarHBondContact O-CE 3.37Å; Y484-K504 PolarHBondContact O-NZ 3.45Å; K504-L515 PolarHBondContact N-O 2.87Å; K504-L515 PolarHBondContact O-N 3.5Å; K504-L517 HydrophobicContact CB-CD1 4.33Å
505	T	92.5	Very high	87.3	Confident	78 Å²	78	59.2 Å²	59.2	48%	0.479	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.4	168.8	-61.5	0	0	0	0	109.9	T512 I513 T514	T505-T512 HydrophobicContact CG2-CG2 3.53Å; T505-I513 CarbonylContact C-O 3.57Å; T505-I513 VanDerWaalsContact CA-O 3.31Å; T505-I513 WeakPolarHBondContact CA-O 3.48Å; T505-T514 PolarHBondContact OG1-OG1 2.87Å
506	L	92.1	Very high	87.9	Confident	21 Å²	21	58.3 Å²	58.3	11%	0.11	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	155.8	174.7	64.9	93.6	0	0	0	109.7	L508 I513 L515 A624	L506-L508 HydrophobicContact CD1-CB 3.98Å; L506-L508 HydrophobicContact CD1-CD1 4.17Å; L506-I513 HydrophobicContact CD1-CB 4.02Å; L506-I513 HydrophobicContact CD1-CD1 4.12Å; L506-I513 HydrophobicContact CD1-CG1 4.49Å; L506-I513 HydrophobicContact CG-CB 4.2Å; L506-I513 PolarHBondContact N-O 3.39Å; L506-I513 PolarHBondContact O-N 3.27Å; L506-L515 HydrophobicContact CD2-CD1 3.71Å; L506-L515 HydrophobicContact CD2-CG 4.06Å; L506-A624 HydrophobicContact CD1-CB 4.03Å; L506-A624 HydrophobicContact CD2-CB 4.19Å
507	I	89.6	Confident	88.6	Confident	135 Å²	135	57 Å²	57	69%	0.692	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	124.4	-179.2	-57.6	174.9	0	0	0	107.9	T511	I507-T511 WeakPolarHBondContact CA-O 3.37Å
508	L	88.1	Confident	89.3	Confident	19 Å²	19	53.2 Å²	53.2	10%	0.099	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	118.4	-173.5	-164.4	145.2	0	0	0	109.4	L506 S510 T511 I513 V621 A624 E625	L506-L508 HydrophobicContact CD1-CB 3.98Å; L506-L508 HydrophobicContact CD1-CD1 4.17Å; L508-S510 PolarHBondContact O-N 3.5Å; L508-T511 PolarHBondContact N-O 3.29Å; L508-T511 WeakPolarHBondContact O-CA 3.47Å; L508-T511 VanDerWaalsContact O-CB 3.28Å; L508-T511 WeakPolarHBondContact O-CB 3.49Å; L508-T511 PolarHBondContact O-N 2.87Å; L508-I513 HydrophobicContact CB-CD1 3.73Å; L508-I513 HydrophobicContact CD1-CD1 4.34Å; L508-I513 HydrophobicContact CG-CD1 4.42Å; L508-V621 HydrophobicContact CD1-CG1 3.99Å; L508-A624 HydrophobicContact CD1-CB 4.17Å; L508-E625 HydrophobicContact CD1-CG 3.55Å; L508-E625 HydrophobicContact CD2-CG 4.09Å; L508-E625 HydrophobicContact CG-CG 4.35Å
509	N	80.5	Confident	90	Very high	141 Å²	141	51.5 Å²	51.5	75%	0.754	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	47.5	-177.8	-60.4	-30.9	0	0	0	113.1	T511	N509-T511 PolarHBondContact O-N 3.37Å; N509-T511 VanDerWaalsContact O-N 3.12Å
510	S	79.9	Confident	90.2	Very high	109 Å²	109	49.5 Å²	49.5	76%	0.762	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	8	-176	-55.1	0	0	0	0	116.5	L508	L508-S510 PolarHBondContact O-N 3.5Å
511	T	85.5	Confident	89.8	Confident	26 Å²	26	46.7 Å²	46.7	16%	0.16	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138.9	169.7	-57.2	0	0	0	0	109.6	L461 R463 I507 L508 N509 I513	L461-T511 HydrophobicContact CB-CG2 4.3Å; L461-T511 VanDerWaalsContact O-CG2 3.3Å; L461-T511 WeakPolarHBondContact O-CG2 3.25Å; R463-T511 HydrophobicContact CG-CG2 4.09Å; I507-T511 WeakPolarHBondContact CA-O 3.37Å; L508-T511 PolarHBondContact N-O 3.29Å; L508-T511 WeakPolarHBondContact O-CA 3.47Å; L508-T511 VanDerWaalsContact O-CB 3.28Å; L508-T511 WeakPolarHBondContact O-CB 3.49Å; L508-T511 PolarHBondContact O-N 2.87Å; N509-T511 PolarHBondContact O-N 3.37Å; N509-T511 VanDerWaalsContact O-N 3.12Å; T511-I513 HydrophobicContact CG2-CG1 4.18Å
512	T	89.8	Confident	88.9	Confident	45 Å²	45	43.1 Å²	43.1	28%	0.276	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	115.6	176.4	-60.1	0	0	0	0	108.8	L461 Q462 R463 T505	L461-T512 PolarHBondContact O-N 2.76Å; Q462-T512 CarbonylContact C-O 3.57Å; Q462-T512 VanDerWaalsContact CA-O 3.29Å; Q462-T512 WeakPolarHBondContact CA-O 3.47Å; Q462-T512 HydrophobicContact CG-CG2 4.36Å; R463-T512 PolarHBondContact N-O 3.46Å; T505-T512 HydrophobicContact CG2-CG2 3.53Å
513	I	93.9	Very high	87.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120	-176.9	-56.4	173.8	0	0	0	108.9	F465 T505 L506 L508 T511 L515 A624 V628	F465-I513 HydrophobicContact CD2-CG2 3.71Å; F465-I513 HydrophobicContact CE2-CG2 4.03Å; T505-I513 CarbonylContact C-O 3.57Å; T505-I513 VanDerWaalsContact CA-O 3.31Å; T505-I513 WeakPolarHBondContact CA-O 3.48Å; L506-I513 HydrophobicContact CD1-CB 4.02Å; L506-I513 HydrophobicContact CD1-CD1 4.12Å; L506-I513 HydrophobicContact CD1-CG1 4.49Å; L506-I513 HydrophobicContact CG-CB 4.2Å; L506-I513 PolarHBondContact N-O 3.39Å; L506-I513 PolarHBondContact O-N 3.27Å; L508-I513 HydrophobicContact CB-CD1 3.73Å; L508-I513 HydrophobicContact CD1-CD1 4.34Å; L508-I513 HydrophobicContact CG-CD1 4.42Å; T511-I513 HydrophobicContact CG2-CG1 4.18Å; I513-L515 HydrophobicContact CG2-CD2 3.79Å; I513-L515 HydrophobicContact CG2-CG 4.36Å; I513-A624 HydrophobicContact CD1-CB 4.09Å; I513-A624 HydrophobicContact CG2-CB 4.49Å; I513-V628 HydrophobicContact CD1-CG2 3.53Å; I513-V628 HydrophobicContact CG1-CG2 4.33Å
514	T	94.4	Very high	86.1	Confident	8 Å²	8	43.6 Å²	43.6	5%	0.049	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	109	171.7	-59.3	0	0	0	0	109.6	R463 V464 F465 M503 T505	R463-T514 PolarHBondContact O-N 2.89Å; V464-T514 VanDerWaalsContact CA-O 3.31Å; V464-T514 WeakPolarHBondContact CA-O 3.38Å; F465-T514 PolarHBondContact N-O 2.84Å; M503-T514 HydrophobicContact CB-CG2 4.29Å; M503-T514 HydrophobicContact CG-CG2 4.41Å; M503-T514 HydrophobicContact SD-CG2 4.07Å; T505-T514 PolarHBondContact OG1-OG1 2.87Å
515	L	95.4	Very high	84.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	122.2	172	-57	-176.1	0	0	0	109.6	F465 V467 M503 K504 L506 I513 L517 M620 L627	F465-L515 HydrophobicContact CB-CD2 4.03Å; F465-L515 HydrophobicContact CD2-CD2 4.26Å; V467-L515 HydrophobicContact CG2-CD2 4.22Å; M503-L515 WeakPolarHBondContact CA-O 3.5Å; K504-L515 PolarHBondContact N-O 2.87Å; K504-L515 PolarHBondContact O-N 3.5Å; L506-L515 HydrophobicContact CD2-CD1 3.71Å; L506-L515 HydrophobicContact CD2-CG 4.06Å; I513-L515 HydrophobicContact CG2-CD2 3.79Å; I513-L515 HydrophobicContact CG2-CG 4.36Å; L515-L517 HydrophobicContact CB-CD2 3.73Å; L515-L517 HydrophobicContact CD1-CD2 4.5Å; L515-M620 HydrophobicContact CD1-CE 3.6Å; L515-L627 HydrophobicContact CD2-CD1 4.17Å
516	Q	95.2	Very high	83.1	Confident	46 Å²	46	49.5 Å²	49.5	22%	0.215	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	111.1	166.9	-63.5	-176.3	6.7	0	0	108.6	V464 F465 V467 F501 M503	V464-Q516 HydrophobicContact CG1-CG 3.96Å; F465-Q516 PolarHBondContact O-N 3.15Å; V467-Q516 PolarHBondContact N-O 2.97Å; V467-Q516 VanDerWaalsContact O-O 3.08Å; F501-Q516 HydrophobicContact CE2-CB 3.84Å; F501-Q516 HydrophobicContact CE2-CG 4.12Å; F501-Q516 HydrophobicContact CZ-CB 4.16Å; F501-Q516 HydrophobicContact CZ-CG 4.02Å; M503-Q516 HydrophobicContact CE-CG 4.29Å; M503-Q516 HydrophobicContact CG-CG 4.42Å
517	L	94.7	Very high	81.8	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.4	-175.7	-47.5	-179.2	0	0	0	109.2	V467 F469 I481 Y484 Q502 K504 L515 M620	V467-L517 HydrophobicContact CB-CD2 4.09Å; V467-L517 HydrophobicContact CG1-CD2 4.49Å; F469-L517 HydrophobicContact CE2-CB 4.27Å; F469-L517 HydrophobicContact CE2-CD2 4.18Å; I481-L517 HydrophobicContact CG1-CB 4.45Å; I481-L517 HydrophobicContact CG2-CB 4.06Å; I481-L517 HydrophobicContact CG2-CD1 4.15Å; Y484-L517 HydrophobicContact CD1-CD1 3.79Å; Y484-L517 HydrophobicContact CE1-CD1 4.2Å; Q502-L517 PolarHBondContact N-O 3.02Å; Q502-L517 PolarHBondContact O-N 3.44Å; K504-L517 HydrophobicContact CB-CD1 4.33Å; L515-L517 HydrophobicContact CB-CD2 3.73Å; L515-L517 HydrophobicContact CD1-CD2 4.5Å; L517-M620 HydrophobicContact CD2-CE 3.77Å
518	W	92.6	Very high	80.6	Confident	55 Å²	55	49.8 Å²	49.8	21%	0.208	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.1	179.2	-61.9	72	0	0	0	109.8	V467 V468 F469 V499 D500 F501 Y533	V467-W518 PolarHBondContact O-N 3.3Å; V468-W518 HydrophobicContact CB-CB 4.49Å; V468-W518 HydrophobicContact CG1-CB 4.38Å; V468-W518 HydrophobicContact CG2-CB 4.14Å; V468-W518 HydrophobicContact CG2-CG 4.31Å; F469-W518 PolarHBondContact N-O 2.93Å; V499-W518 HydrophobicContact CG1-CE3 3.82Å; V499-W518 HydrophobicContact CG1-CZ3 4.49Å; D500-W518 WeakPolarHBondContact O-CA 3.49Å; F501-W518 AromaticContact CD2-CD2 3.79Å; F501-W518 HydrophobicContact CD2-CD2 3.79Å; F501-W518 AromaticContact CD2-CE2 3.52Å; F501-W518 HydrophobicContact CD2-CE3 4.18Å; F501-W518 HydrophobicContact CD2-CG 4.28Å; F501-W518 HydrophobicContact CD2-CH2 4.13Å; F501-W518 AromaticContact CD2-CZ2 3.73Å; F501-W518 HydrophobicContact CD2-CZ2 3.73Å; F501-W518 HydrophobicContact CD2-CZ3 4.34Å; F501-W518 AromaticContact CD2-NE1 3.82Å; F501-W518 HydrophobicContact CE2-CD2 4.35Å; F501-W518 AromaticContact CE2-CE2 3.63Å; F501-W518 HydrophobicContact CE2-CH2 4.44Å; F501-W518 AromaticContact CE2-CZ2 3.69Å; F501-W518 HydrophobicContact CE2-CZ2 3.69Å; F501-W518 AromaticContact CE2-NE1 3.65Å; W518-Y533 AromaticContact CE3-CD1 3.98Å; W518-Y533 HydrophobicContact CE3-CD1 3.98Å; W518-Y533 AromaticContact CZ3-CD1 3.89Å; W518-Y533 HydrophobicContact CZ3-CD1 3.89Å; W518-Y533 HydrophobicContact CZ3-CE1 4.25Å
519	D	91	Very high	79.4	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.5	171.2	-172.7	45.3	0	0	0	110.2	K477 T478 I481 T496 V499 D500	K477-D519 WeakPolarHBondContact CB-OD1 3.47Å; T478-D519 VanDerWaalsContact CB-OD2 3.29Å; T478-D519 WeakPolarHBondContact CB-OD2 3.37Å; T478-D519 VanDerWaalsContact CG2-OD2 3.24Å; T478-D519 WeakPolarHBondContact CG2-OD2 3.48Å; T478-D519 PolarHBondContact N-OD1 2.88Å; T478-D519 PolarHBondContact OG1-OD1 3.38Å; T478-D519 PolarHBondContact OG1-OD2 3Å; I481-D519 HydrophobicContact CD1-CB 3.54Å; T496-D519 WeakPolarHBondContact CB-OD2 3.44Å; T496-D519 WeakPolarHBondContact CG2-OD2 3.27Å; T496-D519 PolarHBondContact OG1-OD2 3.46Å; V499-D519 CarbonylContact C-O 3.28Å; V499-D519 VanDerWaalsContact CA-O 3.24Å; V499-D519 WeakPolarHBondContact CA-O 3.26Å; V499-D519 WeakPolarHBondContact CG1-O 3.41Å; D500-D519 HydrophobicContact CB-CB 4.23Å; D500-D519 PolarHBondContact N-O 3.31Å; D500-D519 PolarHBondContact O-N 3.05Å
520	T	86.3	Confident	78.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.9	178.5	78.3	0	0	0	0	111.7	V468 F469 L470 K477 G522 T530	V468-T520 HydrophobicContact CG1-CG2 3.85Å; F469-T520 PolarHBondContact O-OG1 3.1Å; F469-T520 VanDerWaalsContact O-OG1 3.09Å; L470-T520 HydrophobicContact CD2-CG2 4.2Å; K477-T520 WeakPolarHBondContact CE-O 3.18Å; K477-T520 PolarHBondContact NZ-O 3.05Å; T520-G522 PolarHBondContact O-N 2.84Å; T520-G522 VanDerWaalsContact O-N 3.14Å; T520-T530 HydrophobicContact CG2-CG2 3.95Å
521	A	79.6	Confident	78.6	Confident	3 Å²	3	43.7 Å²	43.7	3%	0.025	21%	0.207	C	C	.	.			trans	-47.8	123.1	169.2	0	0	0	0	0	110.8	T496 G498 Q523 Y526	T496-A521 VanDerWaalsContact O-CB 3.23Å; T496-A521 WeakPolarHBondContact O-CB 3.36Å; G498-A521 WeakPolarHBondContact O-CB 3.26Å; G498-A521 PolarHBondContact O-N 3.27Å; A521-Q523 VanDerWaalsContact C-N 3.26Å; A521-Q523 PolarHBondContact O-N 3Å; A521-Y526 HydrophobicContact CB-CD2 4.09Å
522	G	66.4	Low	78	Confident	6 Å²	6	49.6 Å²	49.6	6%	0.062	23%	0.233	C	C	.	.			trans	-82.7	7.6	-173.4	0	0	0	0	0	115.1	G471 N472 S473 T520	G471-G522 WeakPolarHBondContact O-CA 3.24Å; N472-G522 CarbonylContact C-O 3.57Å; N472-G522 VanDerWaalsContact C-O 3.28Å; N472-G522 VanDerWaalsContact CA-O 3.27Å; N472-G522 WeakPolarHBondContact CA-O 3.34Å; S473-G522 PolarHBondContact N-O 2.68Å; T520-G522 PolarHBondContact O-N 2.84Å; T520-G522 VanDerWaalsContact O-N 3.14Å
523	Q	67.5	Low	77.3	Confident	48 Å²	48	51.3 Å²	51.3	22%	0.224	24%	0.235	C	C	.	.			trans	-80	124	176.5	-65.1	-175.3	18.8	0	0	110	A521 R525 Y526	A521-Q523 VanDerWaalsContact C-N 3.26Å; A521-Q523 PolarHBondContact O-N 3Å; Q523-R525 PolarHBondContact O-N 3.07Å; Q523-R525 VanDerWaalsContact O-N 3.12Å; Q523-Y526 HydrophobicContact CB-CD2 3.83Å; Q523-Y526 HydrophobicContact CB-CE2 4.12Å; Q523-Y526 HydrophobicContact CG-CE2 4.47Å; Q523-Y526 PolarHBondContact O-N 3.03Å
524	E	59.7	Low	76.4	Confident	112 Å²	112	51.7 Å²	51.7	52%	0.523	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-43.6	-35.7	167.4	63.1	-53.8	113.2	0	0	113.9	Y526 R527	E524-Y526 PolarHBondContact O-N 2.94Å; E524-R527 WeakPolarHBondContact O-CB 3.33Å; E524-R527 PolarHBondContact O-N 2.9Å; E524-R527 VanDerWaalsContact O-N 3.16Å
525	R	61.8	Low	75.6	Confident	170 Å²	170	60.5 Å²	60.5	64%	0.642	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-59.1	-23.8	175.1	-65.4	-173.4	-57.9	171.3	4.9	114.8	Q523	Q523-R525 PolarHBondContact O-N 3.07Å; Q523-R525 VanDerWaalsContact O-N 3.12Å
526	Y	60.9	Low	74.9	Confident	94 Å²	94	68.1 Å²	68.1	37%	0.369	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-102.6	7.4	179.9	-55.9	-51.2	0	0	0	113.8	A521 Q523 E524 S528 I529 T530	A521-Y526 HydrophobicContact CB-CD2 4.09Å; Q523-Y526 HydrophobicContact CB-CD2 3.83Å; Q523-Y526 HydrophobicContact CB-CE2 4.12Å; Q523-Y526 HydrophobicContact CG-CE2 4.47Å; Q523-Y526 PolarHBondContact O-N 3.03Å; E524-Y526 PolarHBondContact O-N 2.94Å; Y526-S528 PolarHBondContact O-N 3.18Å; Y526-S528 VanDerWaalsContact O-N 3.13Å; Y526-I529 HydrophobicContact CD1-CD1 4Å; Y526-I529 WeakPolarHBondContact O-CA 3.48Å; Y526-I529 VanDerWaalsContact O-CB 3.32Å; Y526-I529 WeakPolarHBondContact O-CB 3.47Å; Y526-I529 PolarHBondContact O-N 3.37Å; Y526-T530 PolarHBondContact O-N 2.98Å; Y526-T530 PolarHBondContact O-OG1 2.93Å; Y526-T530 VanDerWaalsContact O-OG1 3.11Å
527	R	65.3	Low	74.6	Confident	77 Å²	77	66 Å²	66	29%	0.291	29%	0.292	S	S	.	.	H	α-helix	trans	-52.5	-38	-177	-178.2	173.7	176.2	126.1	-12	113.8	E524 I529 T530 E531 G557 W558 S561	E524-R527 WeakPolarHBondContact O-CB 3.33Å; E524-R527 PolarHBondContact O-N 2.9Å; E524-R527 VanDerWaalsContact O-N 3.16Å; R527-I529 VanDerWaalsContact C-N 3.35Å; R527-T530 WeakPolarHBondContact O-CB 3.35Å; R527-T530 PolarHBondContact O-N 2.98Å; R527-E531 WeakPolarHBondContact O-CG 3.42Å; R527-E531 PolarHBondContact O-N 3.24Å; R527-G557 PolarHBondContact NH1-O 3.42Å; R527-G557 PolarHBondContact NH2-O 2.98Å; R527-W558 HydrophobicContact CB-CH2 3.95Å; R527-W558 HydrophobicContact CB-CZ3 4.14Å; R527-W558 HydrophobicContact CG-CE3 4.47Å; R527-W558 HydrophobicContact CG-CH2 4.07Å; R527-W558 HydrophobicContact CG-CZ3 3.8Å; R527-S561 PolarHBondContact NE-OG 3.41Å; R527-S561 PolarHBondContact NH2-OG 2.7Å
528	S	64.3	Low	74.6	Confident	84 Å²	84	68.9 Å²	68.9	59%	0.587	31%	0.308	S	S	*	.	H	α-helix	trans	-64.7	-33.1	175.4	51.7	0	0	0	0	113.8	Y526	Y526-S528 PolarHBondContact O-N 3.18Å; Y526-S528 VanDerWaalsContact O-N 3.13Å
529	I	63.4	Low	74.6	Confident	80 Å²	80	66.3 Å²	66.3	41%	0.41	30%	0.298	S	S	.	.	H	α-helix	trans	-71.7	-45.6	173.4	-61	175.5	0	0	0	108.8	Y526 R527 E531 Q532 Y533	Y526-I529 HydrophobicContact CD1-CD1 4Å; Y526-I529 WeakPolarHBondContact O-CA 3.48Å; Y526-I529 VanDerWaalsContact O-CB 3.32Å; Y526-I529 WeakPolarHBondContact O-CB 3.47Å; Y526-I529 PolarHBondContact O-N 3.37Å; R527-I529 VanDerWaalsContact C-N 3.35Å; I529-E531 PolarHBondContact O-N 3.11Å; I529-E531 VanDerWaalsContact O-N 3.14Å; I529-Q532 PolarHBondContact O-N 3.07Å; I529-Q532 VanDerWaalsContact O-N 3.15Å; I529-Y533 HydrophobicContact CG2-CE2 3.85Å; I529-Y533 VanDerWaalsContact O-CD2 3.25Å; I529-Y533 WeakPolarHBondContact O-CD2 3.45Å; I529-Y533 WeakPolarHBondContact O-CE2 3.25Å
530	T	68.8	Low	74.8	Confident	4 Å²	4	66.3 Å²	66.3	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-54.2	-32.9	178.1	-45.1	0	0	0	0	113.2	L470 T520 Y526 R527 Q532 Y533 Y534 W558	L470-T530 HydrophobicContact CD2-CG2 3.53Å; T520-T530 HydrophobicContact CG2-CG2 3.95Å; Y526-T530 PolarHBondContact O-N 2.98Å; Y526-T530 PolarHBondContact O-OG1 2.93Å; Y526-T530 VanDerWaalsContact O-OG1 3.11Å; R527-T530 WeakPolarHBondContact O-CB 3.35Å; R527-T530 PolarHBondContact O-N 2.98Å; T530-Q532 PolarHBondContact O-N 3.49Å; T530-Y533 PolarHBondContact O-N 3.27Å; T530-Y534 HydrophobicContact CG2-CD1 4.38Å; T530-Y534 WeakPolarHBondContact O-CD1 3.48Å; T530-W558 HydrophobicContact CG2-CZ3 4.21Å
531	E	73.3	Confident	75.2	Confident	58 Å²	58	66.3 Å²	66.3	27%	0.271	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-26.5	-179.5	-49.9	-147.9	134.5	0	0	114.6	R527 I529 Y533 Y534 S561 K565	R527-E531 WeakPolarHBondContact O-CG 3.42Å; R527-E531 PolarHBondContact O-N 3.24Å; I529-E531 PolarHBondContact O-N 3.11Å; I529-E531 VanDerWaalsContact O-N 3.14Å; E531-Y533 VanDerWaalsContact C-N 3.3Å; E531-Y534 VanDerWaalsContact CA-CE1 3.45Å; E531-Y534 HydrophobicContact CB-CE1 4.17Å; E531-Y534 VanDerWaalsContact CD-OH 3.3Å; E531-Y534 HydrophobicContact CG-CE1 4.19Å; E531-Y534 WeakPolarHBondContact CG-OH 3.37Å; E531-Y534 PolarHBondContact OE1-OH 3.33Å; E531-S561 PolarHBondContact OE1-OG 2.93Å; E531-K565 IonicContact OE1-NZ 2.7Å; E531-K565 PolarHBondContact OE1-NZ 3.33Å; E531-K565 IonicContact OE2-NZ 2.72Å; E531-K565 PolarHBondContact OE2-NZ 2.84Å
532	Q	74.4	Confident	75.9	Confident	150 Å²	150	66.2 Å²	66.2	70%	0.701	30%	0.297	S	S	*	.	H	α-helix	trans	-72.7	-27.8	177.8	-56.3	-171	12.6	0	0	111.8	I529 T530	I529-Q532 PolarHBondContact O-N 3.07Å; I529-Q532 VanDerWaalsContact O-N 3.15Å; T530-Q532 PolarHBondContact O-N 3.49Å
533	Y	74.3	Confident	77.3	Confident	80 Å²	80	66 Å²	66	31%	0.314	29%	0.294	S	S	.	.	H	α-helix	trans	-85.9	-35.6	-172.4	-64.9	-91.2	0	0	0	113.3	K466 V499 W518 I529 T530 E531 R535	K466-Y533 WeakPolarHBondContact CE-O 3.42Å; K466-Y533 PolarHBondContact NZ-O 3.3Å; V499-Y533 HydrophobicContact CB-CD1 4.32Å; V499-Y533 HydrophobicContact CB-CE1 4.07Å; V499-Y533 HydrophobicContact CG1-CD1 3.92Å; V499-Y533 HydrophobicContact CG1-CE1 4.08Å; V499-Y533 HydrophobicContact CG1-CG 4.45Å; V499-Y533 HydrophobicContact CG2-CD1 4.05Å; V499-Y533 HydrophobicContact CG2-CD2 3.92Å; V499-Y533 HydrophobicContact CG2-CE1 3.94Å; V499-Y533 HydrophobicContact CG2-CE2 3.83Å; V499-Y533 HydrophobicContact CG2-CG 4.03Å; W518-Y533 AromaticContact CE3-CD1 3.98Å; W518-Y533 HydrophobicContact CE3-CD1 3.98Å; W518-Y533 AromaticContact CZ3-CD1 3.89Å; W518-Y533 HydrophobicContact CZ3-CD1 3.89Å; W518-Y533 HydrophobicContact CZ3-CE1 4.25Å; I529-Y533 HydrophobicContact CG2-CE2 3.85Å; I529-Y533 VanDerWaalsContact O-CD2 3.25Å; I529-Y533 WeakPolarHBondContact O-CD2 3.45Å; I529-Y533 WeakPolarHBondContact O-CE2 3.25Å; T530-Y533 PolarHBondContact O-N 3.27Å; E531-Y533 VanDerWaalsContact C-N 3.3Å; Y533-R535 VanDerWaalsContact C-N 3.28Å; Y533-R535 PolarHBondContact O-N 2.9Å
534	Y	76.1	Confident	78.7	Confident	9 Å²	9	63.7 Å²	63.7	4%	0.035	28%	0.283	C	S	.	.	S	Bend	trans	-80.2	-3.8	175.3	64.8	-111.2	0	0	0	114.3	L470 T530 E531 K536 A537 S561 V562 K565	L470-Y534 HydrophobicContact CD1-CD1 4.19Å; L470-Y534 HydrophobicContact CD2-CD1 4.28Å; T530-Y534 HydrophobicContact CG2-CD1 4.38Å; T530-Y534 WeakPolarHBondContact O-CD1 3.48Å; E531-Y534 VanDerWaalsContact CA-CE1 3.45Å; E531-Y534 HydrophobicContact CB-CE1 4.17Å; E531-Y534 VanDerWaalsContact CD-OH 3.3Å; E531-Y534 HydrophobicContact CG-CE1 4.19Å; E531-Y534 WeakPolarHBondContact CG-OH 3.37Å; E531-Y534 PolarHBondContact OE1-OH 3.33Å; Y534-K536 PolarHBondContact O-N 3.17Å; Y534-A537 WeakPolarHBondContact O-CB 3.49Å; Y534-A537 PolarHBondContact O-N 3.4Å; Y534-S561 PolarHBondContact OH-O 3.15Å; Y534-V562 HydrophobicContact CD1-CG2 4.01Å; Y534-V562 HydrophobicContact CD2-CG1 4.08Å; Y534-V562 HydrophobicContact CD2-CG2 4.14Å; Y534-V562 HydrophobicContact CE1-CG2 3.75Å; Y534-V562 HydrophobicContact CE2-CB 4.32Å; Y534-V562 HydrophobicContact CE2-CG1 4.27Å; Y534-V562 HydrophobicContact CE2-CG2 3.93Å; Y534-V562 HydrophobicContact CG-CG2 4.2Å; Y534-K565 HydrophobicContact CE2-CB 4.03Å; Y534-K565 HydrophobicContact CE2-CD 4.06Å
535	R	76.2	Confident	80.4	Confident	192 Å²	192	58.9 Å²	58.9	73%	0.725	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	129.9	169.2	-167.1	-179.6	-174.8	105.9	3.5	109.9	K466 Y533	K466-R535 PolarHBondContact NZ-O 2.91Å; Y533-R535 VanDerWaalsContact C-N 3.28Å; Y533-R535 PolarHBondContact O-N 2.9Å
536	K	80.8	Confident	82	Confident	161 Å²	161	50.8 Å²	50.8	70%	0.7	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	54.5	-168.9	-57.3	-174.3	178	-170.1	0	111.4	K466 Y534	K466-K536 WeakPolarHBondContact CD-O 3.4Å; K466-K536 PolarHBondContact NZ-O 3.45Å; Y534-K536 PolarHBondContact O-N 3.17Å
537	A	90.1	Very high	83.6	Confident	2 Å²	2	47.5 Å²	47.5	2%	0.017	22%	0.221	C	C	.	.			trans	-99	135.1	164.6	0	0	0	0	0	108.6	K466 V468 Y534 I540 T570	K466-A537 HydrophobicContact CG-CB 4.4Å; V468-A537 HydrophobicContact CB-CB 4.47Å; V468-A537 HydrophobicContact CG2-CB 3.74Å; Y534-A537 WeakPolarHBondContact O-CB 3.49Å; Y534-A537 PolarHBondContact O-N 3.4Å; A537-I540 HydrophobicContact CB-CD1 4.06Å; A537-I540 HydrophobicContact CB-CG1 3.83Å; A537-T570 WeakPolarHBondContact O-CG2 3.46Å; A537-T570 PolarHBondContact O-OG1 2.83Å
538	D	93.5	Very high	85	Confident	61 Å²	61	48.4 Å²	48.4	33%	0.326	23%	0.228	S	C	.	.	S	Bend	trans	-85	-37.7	-178.9	-44.2	-50.2	0	0	0	109	F465 K466 T570 V571 L627	F465-D538 WeakPolarHBondContact CA-OD2 3.35Å; F465-D538 HydrophobicContact CB-CB 4.3Å; F465-D538 HydrophobicContact CD1-CB 4.11Å; K466-D538 PolarHBondContact N-OD2 3.19Å; K466-D538 PolarHBondContact O-N 2.77Å; D538-T570 CarbonylContact O-C 3.56Å; D538-T570 WeakPolarHBondContact O-CA 3.27Å; D538-V571 PolarHBondContact O-N 3.2Å; D538-L627 HydrophobicContact CB-CD2 3.87Å; D538-L627 WeakPolarHBondContact O-CD2 3.43Å
539	G	93.8	Very high	86.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.7	171.7	0	0	0	0	0	112.7	K466 V467 V468 V571	K466-G539 PolarHBondContact O-N 3.02Å; V467-G539 VanDerWaalsContact CA-O 3.27Å; V467-G539 WeakPolarHBondContact CA-O 3.48Å; V468-G539 PolarHBondContact N-O 2.65Å; G539-V571 CarbonylContact C-O 3.45Å; G539-V571 WeakPolarHBondContact CA-O 3.48Å
540	I	93.6	Very high	87.8	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	120.7	176.7	-60.9	-177.2	0	0	0	109.2	V468 L470 A537 V562 M566 T570 V571 L572 M573	V468-I540 WeakPolarHBondContact O-CA 3.41Å; L470-I540 HydrophobicContact CD1-CG2 3.6Å; L470-I540 HydrophobicContact CG-CG2 4.21Å; A537-I540 HydrophobicContact CB-CD1 4.06Å; A537-I540 HydrophobicContact CB-CG1 3.83Å; I540-V562 HydrophobicContact CD1-CG1 3.36Å; I540-V562 HydrophobicContact CG2-CG1 4.48Å; I540-M566 HydrophobicContact CD1-CE 4.33Å; I540-T570 HydrophobicContact CD1-CG2 3.93Å; I540-T570 HydrophobicContact CG1-CG2 3.95Å; I540-V571 PolarHBondContact N-O 3.09Å; I540-L572 HydrophobicContact CB-CD1 4.3Å; I540-L572 HydrophobicContact CG2-CD1 4.1Å; I540-M573 PolarHBondContact O-N 2.92Å
541	L	95.2	Very high	89	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	102	-178.5	-96.9	59.4	0	0	0	109.6	V467 V468 F469 L470 M573 L575 L619 M620 L623	V467-L541 HydrophobicContact CG1-CD1 4Å; V467-L541 HydrophobicContact CG1-CD2 4.46Å; V468-L541 PolarHBondContact O-N 3.19Å; F469-L541 CarbonylContact C-O 3.55Å; F469-L541 WeakPolarHBondContact CA-O 3.37Å; F469-L541 HydrophobicContact CD1-CB 3.99Å; F469-L541 HydrophobicContact CD1-CD2 4.26Å; F469-L541 HydrophobicContact CE1-CB 4.11Å; F469-L541 HydrophobicContact CE1-CD2 3.51Å; F469-L541 HydrophobicContact CE1-CG 4.46Å; F469-L541 HydrophobicContact CE2-CD2 4.22Å; F469-L541 HydrophobicContact CG-CB 4.26Å; F469-L541 HydrophobicContact CZ-CB 4.48Å; F469-L541 HydrophobicContact CZ-CD2 3.49Å; F469-L541 VanDerWaalsContact CZ-CD2 3.49Å; L470-L541 PolarHBondContact N-O 3.36Å; L541-M573 CarbonylContact C-O 3.42Å; L541-M573 WeakPolarHBondContact CA-O 3.38Å; L541-M573 HydrophobicContact CD1-CB 3.82Å; L541-M573 HydrophobicContact CD1-SD 4.27Å; L541-M573 HydrophobicContact CG-CB 4.21Å; L541-M573 HydrophobicContact CG-SD 4.35Å; L541-L575 HydrophobicContact CB-CD1 4.39Å; L541-L575 HydrophobicContact CD2-CD1 3.67Å; L541-L575 HydrophobicContact CG-CD1 3.9Å; L541-L575 HydrophobicContact CG-CG 4.48Å; L541-L619 HydrophobicContact CD2-CD1 4.37Å; L541-M620 HydrophobicContact CD2-SD 3.96Å; L541-L623 HydrophobicContact CD1-CD1 3.76Å; L541-L623 HydrophobicContact CD1-CD2 3.56Å; L541-L623 HydrophobicContact CD1-CG 4.28Å; L541-L623 HydrophobicContact CD2-CD2 4.26Å
542	A	94.6	Very high	90.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	118.2	175.5	0	0	0	0	0	109.6	V555 M559 L572 M573 L574 L575	A542-V555 HydrophobicContact CB-CG2 3.89Å; A542-M559 HydrophobicContact CB-CG 3.68Å; A542-M559 HydrophobicContact CB-SD 3.95Å; A542-L572 HydrophobicContact CB-CD1 4.49Å; A542-M573 PolarHBondContact N-O 3.36Å; A542-L574 HydrophobicContact CB-CD1 4.41Å; A542-L574 CarbonylContact O-C 3.56Å; A542-L574 WeakPolarHBondContact O-CA 3.19Å; A542-L575 PolarHBondContact O-N 2.87Å
543	M	95.8	Very high	91	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137	-171.8	-172.8	176.7	-74.7	0	0	112.4	F469 L470 V475 K477 F480 L575 N577	F469-M543 HydrophobicContact CD1-CE 4.33Å; F469-M543 HydrophobicContact CE1-CE 4.38Å; L470-M543 PolarHBondContact O-N 2.98Å; V475-M543 HydrophobicContact CB-CG 4.47Å; V475-M543 HydrophobicContact CG2-CB 4.12Å; V475-M543 HydrophobicContact CG2-CG 3.97Å; V475-M543 HydrophobicContact CG2-SD 4.27Å; K477-M543 HydrophobicContact CB-SD 4.44Å; K477-M543 HydrophobicContact CG-CB 4.2Å; K477-M543 HydrophobicContact CG-SD 4.04Å; F480-M543 HydrophobicContact CB-CE 3.91Å; F480-M543 HydrophobicContact CD2-CE 3.91Å; F480-M543 HydrophobicContact CG-CE 3.88Å; M543-L575 WeakPolarHBondContact CA-O 3.42Å; M543-L575 HydrophobicContact CB-CB 4.49Å; M543-L575 HydrophobicContact CE-CB 4.39Å; M543-L575 HydrophobicContact CE-CD1 3.96Å; M543-L575 HydrophobicContact CG-CB 4.39Å; M543-N577 HydrophobicContact CE-CB 4.42Å; M543-N577 HydrophobicContact CG-CB 3.86Å; M543-N577 HydrophobicContact SD-CB 3.79Å
544	Y	96.8	Very high	91.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	174.1	169.9	73.5	-84.1	0	0	0	111	V546 F552 V555 L574 L575 N577 I589 F605	Y544-V546 HydrophobicContact CE2-CG1 4.12Å; Y544-F552 HydrophobicContact CD1-CD2 4.13Å; Y544-F552 HydrophobicContact CD2-CB 3.87Å; Y544-F552 AromaticContact CD2-CD2 3.79Å; Y544-F552 HydrophobicContact CD2-CD2 3.79Å; Y544-F552 HydrophobicContact CD2-CG 4.3Å; Y544-F552 HydrophobicContact CE1-CD2 4.02Å; Y544-F552 HydrophobicContact CE1-CE2 4.37Å; Y544-F552 HydrophobicContact CE2-CB 4.37Å; Y544-F552 AromaticContact CE2-CD2 3.66Å; Y544-F552 HydrophobicContact CE2-CD2 3.66Å; Y544-F552 HydrophobicContact CE2-CE2 4.39Å; Y544-F552 HydrophobicContact CE2-CG 4.39Å; Y544-F552 HydrophobicContact CG-CB 4.3Å; Y544-F552 HydrophobicContact CG-CD2 4.02Å; Y544-F552 AromaticContact CZ-CD2 3.78Å; Y544-V555 HydrophobicContact CD1-CG1 4.29Å; Y544-L574 HydrophobicContact CD1-CD1 3.78Å; Y544-L574 HydrophobicContact CD1-CG 4.35Å; Y544-L574 HydrophobicContact CE1-CD1 3.98Å; Y544-L574 HydrophobicContact CE1-CD2 4.43Å; Y544-L574 HydrophobicContact CE1-CG 4.04Å; Y544-L575 VanDerWaalsContact CD1-O 3.26Å; Y544-L575 WeakPolarHBondContact CD1-O 3.47Å; Y544-L575 PolarHBondContact N-O 3.3Å; Y544-N577 PolarHBondContact O-N 3.43Å; Y544-I589 HydrophobicContact CD2-CD1 4.24Å; Y544-I589 HydrophobicContact CE2-CB 4.08Å; Y544-I589 HydrophobicContact CE2-CD1 4.19Å; Y544-I589 HydrophobicContact CE2-CG1 4.14Å; Y544-I589 HydrophobicContact CE2-CG2 4.02Å; Y544-F605 HydrophobicContact CE1-CE2 4.19Å
545	D	95.6	Very high	92.6	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.059	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.9	-180	177.3	-15.5	0	0	0	109.6	V475 T547 H548 S551 K578 I589	V475-D545 HydrophobicContact CG1-CB 4.46Å; D545-T547 PolarHBondContact O-N 3.16Å; D545-T547 VanDerWaalsContact O-N 3.13Å; D545-T547 WeakPolarHBondContact OD1-CA 3.45Å; D545-T547 PolarHBondContact OD1-N 3.41Å; D545-T547 PolarHBondContact OD1-OG1 2.89Å; D545-H548 HydrophobicContact CB-CB 4.12Å; D545-H548 PolarHBondContact O-N 2.92Å; D545-H548 VanDerWaalsContact O-N 3.09Å; D545-S551 PolarHBondContact N-OG 3.19Å; D545-S551 PolarHBondContact O-OG 2.91Å; D545-K578 WeakPolarHBondContact OD2-CD 3.32Å; D545-K578 VanDerWaalsContact OD2-CE 3.23Å; D545-K578 WeakPolarHBondContact OD2-CE 3.47Å; D545-K578 IonicContact OD2-NZ 3.38Å; D545-K578 PolarHBondContact OD2-NZ 3.37Å; D545-I589 VanDerWaalsContact O-CD1 3.25Å; D545-I589 WeakPolarHBondContact O-CD1 3.38Å
546	V	96	Very high	93.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.9	-176.9	-57.4	0	0	0	0	113.8	Y544 N577 A582 E588 I589	Y544-V546 HydrophobicContact CE2-CG1 4.12Å; V546-N577 PolarHBondContact N-O 3.43Å; V546-A582 HydrophobicContact CG2-CB 4.11Å; V546-E588 PolarHBondContact O-N 3.5Å; V546-I589 PolarHBondContact O-N 3.47Å
547	T	94.6	Very high	93.7	Very high	25 Å²	25	29.2 Å²	29.2	15%	0.153	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	7.9	177.2	63	0	0	0	0	113.8	D545 L581 N586	D545-T547 PolarHBondContact O-N 3.16Å; D545-T547 VanDerWaalsContact O-N 3.13Å; D545-T547 WeakPolarHBondContact OD1-CA 3.45Å; D545-T547 PolarHBondContact OD1-N 3.41Å; D545-T547 PolarHBondContact OD1-OG1 2.89Å; T547-L581 HydrophobicContact CG2-CB 3.64Å; T547-N586 WeakPolarHBondContact CA-O 3.47Å; T547-N586 VanDerWaalsContact CB-O 3.28Å; T547-N586 WeakPolarHBondContact CB-O 3.39Å; T547-N586 HydrophobicContact CG2-CB 4.23Å; T547-N586 WeakPolarHBondContact CG2-O 3.42Å
548	H	93.8	Very high	93.6	Very high	96 Å²	96	29.4 Å²	29.4	44%	0.444	16%	0.161	S	C	.	.			trans	-146.6	95.4	-177.5	-175.3	-125.3	0	0	0	113.2	D545 A550 S551 E588	D545-H548 HydrophobicContact CB-CB 4.12Å; D545-H548 PolarHBondContact O-N 2.92Å; D545-H548 VanDerWaalsContact O-N 3.09Å; H548-A550 VanDerWaalsContact C-N 3.29Å; H548-A550 PolarHBondContact O-N 3.01Å; H548-S551 WeakPolarHBondContact O-CB 3.41Å; H548-S551 PolarHBondContact O-N 3.48Å; H548-S551 PolarHBondContact O-OG 3.35Å; H548-E588 WeakPolarHBondContact CA-OE2 3.29Å
549	R	94.3	Very high	93.4	Very high	128 Å²	128	26.6 Å²	26.6	48%	0.483	15%	0.146	S	C	.	.	H	α-helix	trans	-61.4	-29.3	-172.3	-154.8	170.9	-159.2	-175.5	8.5	114.2	S551 F552 S553 E588 I589 E593	R549-S551 PolarHBondContact O-N 3.48Å; R549-F552 WeakPolarHBondContact O-CB 3.33Å; R549-F552 PolarHBondContact O-N 3.17Å; R549-F552 VanDerWaalsContact O-N 3.15Å; R549-S553 PolarHBondContact O-N 2.97Å; R549-S553 PolarHBondContact O-OG 2.97Å; R549-E588 HydrophobicContact CB-CB 4.12Å; R549-E588 VanDerWaalsContact CB-OE2 3.32Å; R549-E588 WeakPolarHBondContact CB-OE2 3.44Å; R549-E588 PolarHBondContact N-OE2 2.97Å; R549-I589 HydrophobicContact CB-CD1 4.41Å; R549-I589 HydrophobicContact CG-CG1 4.33Å; R549-E593 IonicContact CZ-OE1 3.92Å; R549-E593 IonicContact NH2-OE1 3.2Å; R549-E593 PolarHBondContact NH2-OE1 3.23Å
550	A	93.2	Very high	93.2	Very high	57 Å²	57	29.9 Å²	29.9	47%	0.471	16%	0.163	S	C	.	.	H	α-helix	trans	-63.9	-28.9	174	0	0	0	0	0	112.4	H548 A554	H548-A550 VanDerWaalsContact C-N 3.29Å; H548-A550 PolarHBondContact O-N 3.01Å; A550-A554 WeakPolarHBondContact O-CB 3.33Å; A550-A554 PolarHBondContact O-N 3.28Å; A550-A554 VanDerWaalsContact O-N 3.08Å
551	S	94.1	Very high	92.8	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-70.2	-38	172.6	76.6	0	0	0	0	112.4	D545 H548 R549 A554 V555	D545-S551 PolarHBondContact N-OG 3.19Å; D545-S551 PolarHBondContact O-OG 2.91Å; H548-S551 WeakPolarHBondContact O-CB 3.41Å; H548-S551 PolarHBondContact O-N 3.48Å; H548-S551 PolarHBondContact O-OG 3.35Å; R549-S551 PolarHBondContact O-N 3.48Å; S551-A554 PolarHBondContact O-N 3.5Å; S551-V555 PolarHBondContact O-N 3.12Å
552	F	95.4	Very high	92.2	Very high	12 Å²	12	30.8 Å²	30.8	5%	0.053	17%	0.17	C	C	.	.	H	α-helix	trans	-69.5	-37.3	175.6	179.2	-103.7	0	0	0	112.5	Y544 R549 A554 V555 I589 E593 L597	Y544-F552 HydrophobicContact CD1-CD2 4.13Å; Y544-F552 HydrophobicContact CD2-CB 3.87Å; Y544-F552 AromaticContact CD2-CD2 3.79Å; Y544-F552 HydrophobicContact CD2-CD2 3.79Å; Y544-F552 HydrophobicContact CD2-CG 4.3Å; Y544-F552 HydrophobicContact CE1-CD2 4.02Å; Y544-F552 HydrophobicContact CE1-CE2 4.37Å; Y544-F552 HydrophobicContact CE2-CB 4.37Å; Y544-F552 AromaticContact CE2-CD2 3.66Å; Y544-F552 HydrophobicContact CE2-CD2 3.66Å; Y544-F552 HydrophobicContact CE2-CE2 4.39Å; Y544-F552 HydrophobicContact CE2-CG 4.39Å; Y544-F552 HydrophobicContact CG-CB 4.3Å; Y544-F552 HydrophobicContact CG-CD2 4.02Å; Y544-F552 AromaticContact CZ-CD2 3.78Å; R549-F552 WeakPolarHBondContact O-CB 3.33Å; R549-F552 PolarHBondContact O-N 3.17Å; R549-F552 VanDerWaalsContact O-N 3.15Å; F552-A554 VanDerWaalsContact C-N 3.33Å; F552-V555 WeakPolarHBondContact O-CG1 3.38Å; F552-I589 HydrophobicContact CB-CD1 3.98Å; F552-I589 HydrophobicContact CB-CG1 3.67Å; F552-I589 HydrophobicContact CD1-CG1 4.12Å; F552-I589 HydrophobicContact CD1-CG2 4.32Å; F552-I589 HydrophobicContact CD2-CG1 4.26Å; F552-I589 HydrophobicContact CD2-CG2 3.95Å; F552-I589 HydrophobicContact CE1-CG2 4.3Å; F552-I589 HydrophobicContact CE2-CG2 3.93Å; F552-I589 HydrophobicContact CG-CG1 3.78Å; F552-I589 HydrophobicContact CG-CG2 4.14Å; F552-I589 HydrophobicContact CZ-CG2 4.11Å; F552-E593 HydrophobicContact CZ-CB 4.18Å; F552-L597 HydrophobicContact CD2-CD2 3.93Å; F552-L597 HydrophobicContact CE1-CD2 4.47Å; F552-L597 HydrophobicContact CE2-CB 4.08Å; F552-L597 HydrophobicContact CE2-CD2 3.36Å; F552-L597 HydrophobicContact CE2-CG 4.33Å; F552-L597 HydrophobicContact CZ-CB 3.94Å; F552-L597 HydrophobicContact CZ-CD2 3.68Å; F552-L597 HydrophobicContact CZ-CG 4.44Å
553	S	93.8	Very high	91.7	Very high	77 Å²	77	36.4 Å²	36.4	54%	0.538	19%	0.191	S	C	.	.	H	α-helix	trans	-62.9	-40.5	169.7	-63.3	0	0	0	0	111.7	R549	R549-S553 PolarHBondContact O-N 2.97Å; R549-S553 PolarHBondContact O-OG 2.97Å
554	A	91.1	Very high	90.7	Very high	30 Å²	30	43.2 Å²	43.2	25%	0.248	23%	0.227	C	C	.	.	H	α-helix	trans	-73.1	-31.6	179.8	0	0	0	0	0	113.7	N472 A550 S551 F552 R556 G557 W558	N472-A554 WeakPolarHBondContact ND2-CB 3.4Å; N472-A554 WeakPolarHBondContact OD1-CB 3.32Å; A550-A554 WeakPolarHBondContact O-CB 3.33Å; A550-A554 PolarHBondContact O-N 3.28Å; A550-A554 VanDerWaalsContact O-N 3.08Å; S551-A554 PolarHBondContact O-N 3.5Å; F552-A554 VanDerWaalsContact C-N 3.33Å; A554-R556 VanDerWaalsContact C-N 3.27Å; A554-R556 PolarHBondContact O-N 3.26Å; A554-G557 PolarHBondContact O-N 3.21Å; A554-G557 VanDerWaalsContact O-N 3.17Å; A554-W558 VanDerWaalsContact O-CD1 3.26Å; A554-W558 PolarHBondContact O-N 2.9Å
555	V	92.3	Very high	89.6	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-29.5	-178.5	88.7	0	0	0	0	112.7	A542 Y544 S551 F552 G557 W558 M559 L574 L597	A542-V555 HydrophobicContact CB-CG2 3.89Å; Y544-V555 HydrophobicContact CD1-CG1 4.29Å; S551-V555 PolarHBondContact O-N 3.12Å; F552-V555 WeakPolarHBondContact O-CG1 3.38Å; V555-G557 PolarHBondContact O-N 3.1Å; V555-W558 PolarHBondContact O-N 3.34Å; V555-W558 VanDerWaalsContact O-N 3.17Å; V555-M559 HydrophobicContact CG1-CE 4.32Å; V555-M559 WeakPolarHBondContact O-CG 3.32Å; V555-M559 PolarHBondContact O-N 2.94Å; V555-L574 HydrophobicContact CG1-CD1 3.85Å; V555-L574 HydrophobicContact CG2-CD1 4.15Å; V555-L597 HydrophobicContact CG1-CD2 3.9Å
556	R	92.2	Very high	88.8	Confident	88 Å²	88	49.8 Å²	49.8	33%	0.332	26%	0.257	S	S	.	.	H	α-helix	trans	-51.4	-56.8	169.2	-65.8	-170.5	173.3	-101.6	-5.5	110.8	A554 W558 M559 D560 L597 D600	A554-R556 VanDerWaalsContact C-N 3.27Å; A554-R556 PolarHBondContact O-N 3.26Å; R556-W558 VanDerWaalsContact C-N 3.31Å; R556-W558 PolarHBondContact O-N 2.98Å; R556-M559 PolarHBondContact O-N 3.39Å; R556-D560 VanDerWaalsContact O-CG 3.26Å; R556-D560 PolarHBondContact O-N 3Å; R556-D560 VanDerWaalsContact O-OD2 3.09Å; R556-L597 HydrophobicContact CG-CD1 3.72Å; R556-L597 HydrophobicContact CG-CD2 3.91Å; R556-D600 IonicContact NH1-OD2 2.96Å; R556-D600 PolarHBondContact NH1-OD2 3.47Å; R556-D600 VanDerWaalsContact NH1-OD2 3.17Å; R556-D600 IonicContact NH2-OD2 3.06Å
557	G	88.8	Confident	87.5	Confident	21 Å²	21	53.1 Å²	53.1	22%	0.216	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-38.1	177.5	0	0	0	0	0	113.3	R527 A554 V555 M559 D560 S561	R527-G557 PolarHBondContact NH1-O 3.42Å; R527-G557 PolarHBondContact NH2-O 2.98Å; A554-G557 PolarHBondContact O-N 3.21Å; A554-G557 VanDerWaalsContact O-N 3.17Å; V555-G557 PolarHBondContact O-N 3.1Å; G557-M559 VanDerWaalsContact C-N 3.34Å; G557-D560 WeakPolarHBondContact CA-OD2 3.38Å; G557-D560 PolarHBondContact O-N 2.74Å; G557-S561 PolarHBondContact O-N 2.8Å; G557-S561 VanDerWaalsContact O-N 3.15Å
558	W	87.9	Confident	86.5	Confident	6 Å²	6	59.7 Å²	59.7	2%	0.023	31%	0.314	C	S	.	.	H	α-helix	trans	-62.9	-39.4	174.5	-74.6	105.6	0	0	0	112.3	N472 R527 T530 A554 V555 R556 V562	N472-W558 PolarHBondContact OD1-NE1 3.22Å; R527-W558 HydrophobicContact CB-CH2 3.95Å; R527-W558 HydrophobicContact CB-CZ3 4.14Å; R527-W558 HydrophobicContact CG-CE3 4.47Å; R527-W558 HydrophobicContact CG-CH2 4.07Å; R527-W558 HydrophobicContact CG-CZ3 3.8Å; T530-W558 HydrophobicContact CG2-CZ3 4.21Å; A554-W558 VanDerWaalsContact O-CD1 3.26Å; A554-W558 PolarHBondContact O-N 2.9Å; V555-W558 PolarHBondContact O-N 3.34Å; V555-W558 VanDerWaalsContact O-N 3.17Å; R556-W558 VanDerWaalsContact C-N 3.31Å; R556-W558 PolarHBondContact O-N 2.98Å; W558-V562 VanDerWaalsContact O-CG2 3.26Å; W558-V562 WeakPolarHBondContact O-CG2 3.36Å
559	M	89.6	Confident	85.8	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-71.6	-36.5	175.7	-63.6	-176.5	-62.1	0	0	112.1	A542 V555 R556 G557 V562 R563 L572 L574 L597 Y601	A542-M559 HydrophobicContact CB-CG 3.68Å; A542-M559 HydrophobicContact CB-SD 3.95Å; V555-M559 HydrophobicContact CG1-CE 4.32Å; V555-M559 WeakPolarHBondContact O-CG 3.32Å; V555-M559 PolarHBondContact O-N 2.94Å; R556-M559 PolarHBondContact O-N 3.39Å; G557-M559 VanDerWaalsContact C-N 3.34Å; M559-V562 PolarHBondContact O-N 3.35Å; M559-R563 PolarHBondContact O-N 3.38Å; M559-L572 HydrophobicContact CG-CD1 4.48Å; M559-L572 HydrophobicContact CG-CD2 4.49Å; M559-L572 HydrophobicContact SD-CD2 4.24Å; M559-L574 HydrophobicContact CE-CD1 4.26Å; M559-L574 HydrophobicContact SD-CD1 4.08Å; M559-L597 HydrophobicContact CE-CD1 3.7Å; M559-L597 HydrophobicContact CE-CD2 3.94Å; M559-L597 HydrophobicContact CE-CG 3.83Å; M559-Y601 HydrophobicContact CB-CD1 3.46Å; M559-Y601 VanDerWaalsContact CB-CD1 3.46Å; M559-Y601 HydrophobicContact CB-CE1 3.5Å; M559-Y601 VanDerWaalsContact CB-CE1 3.5Å; M559-Y601 HydrophobicContact CB-CG 4.33Å; M559-Y601 HydrophobicContact CE-CD1 4.17Å; M559-Y601 HydrophobicContact CE-CD2 3.98Å; M559-Y601 HydrophobicContact CE-CE1 4.3Å; M559-Y601 HydrophobicContact CE-CE2 4.13Å; M559-Y601 HydrophobicContact CE-CG 4.01Å; M559-Y601 HydrophobicContact CG-CD1 4.46Å; M559-Y601 HydrophobicContact SD-CD1 4.35Å; M559-Y601 HydrophobicContact SD-CG 4.31Å
560	D	88.8	Confident	85.6	Confident	68 Å²	68	50.9 Å²	50.9	36%	0.364	29%	0.286	S	S	.	.	H	α-helix	trans	-58.4	-48.6	175.1	-62.2	-39.6	0	0	0	112.1	R556 G557 V562 R563 Y601	R556-D560 VanDerWaalsContact O-CG 3.26Å; R556-D560 PolarHBondContact O-N 3Å; R556-D560 VanDerWaalsContact O-OD2 3.09Å; G557-D560 WeakPolarHBondContact CA-OD2 3.38Å; G557-D560 PolarHBondContact O-N 2.74Å; D560-V562 PolarHBondContact O-N 3.42Å; D560-R563 PolarHBondContact O-N 2.87Å; D560-Y601 VanDerWaalsContact CG-OH 3.29Å; D560-Y601 WeakPolarHBondContact OD1-CE1 3.42Å; D560-Y601 VanDerWaalsContact OD1-CZ 3.23Å; D560-Y601 PolarHBondContact OD1-OH 2.97Å; D560-Y601 PolarHBondContact OD2-OH 3.33Å
561	S	84.4	Confident	85.6	Confident	20 Å²	20	48.3 Å²	48.3	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-23.4	179.1	-112.6	0	0	0	0	113.6	R527 E531 Y534 G557 K565	R527-S561 PolarHBondContact NE-OG 3.41Å; R527-S561 PolarHBondContact NH2-OG 2.7Å; E531-S561 PolarHBondContact OE1-OG 2.93Å; Y534-S561 PolarHBondContact OH-O 3.15Å; G557-S561 PolarHBondContact O-N 2.8Å; G557-S561 VanDerWaalsContact O-N 3.15Å; S561-K565 WeakPolarHBondContact O-CD 3.4Å
562	V	84	Confident	85.6	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-99.3	-33.8	-176.3	-177.2	0	0	0	0	111.3	L470 Y534 I540 W558 M559 D560 D564 K565 M566	L470-V562 HydrophobicContact CD1-CG2 3.52Å; Y534-V562 HydrophobicContact CD1-CG2 4.01Å; Y534-V562 HydrophobicContact CD2-CG1 4.08Å; Y534-V562 HydrophobicContact CD2-CG2 4.14Å; Y534-V562 HydrophobicContact CE1-CG2 3.75Å; Y534-V562 HydrophobicContact CE2-CB 4.32Å; Y534-V562 HydrophobicContact CE2-CG1 4.27Å; Y534-V562 HydrophobicContact CE2-CG2 3.93Å; Y534-V562 HydrophobicContact CG-CG2 4.2Å; I540-V562 HydrophobicContact CD1-CG1 3.36Å; I540-V562 HydrophobicContact CG2-CG1 4.48Å; W558-V562 VanDerWaalsContact O-CG2 3.26Å; W558-V562 WeakPolarHBondContact O-CG2 3.36Å; M559-V562 PolarHBondContact O-N 3.35Å; D560-V562 PolarHBondContact O-N 3.42Å; V562-D564 VanDerWaalsContact C-N 3.26Å; V562-D564 PolarHBondContact O-N 3.04Å; V562-K565 CarbonylContact O-C 3.6Å; V562-K565 WeakPolarHBondContact O-CA 3.36Å; V562-K565 PolarHBondContact O-N 3.01Å; V562-M566 HydrophobicContact CB-CE 4.24Å; V562-M566 HydrophobicContact CG1-CE 3.46Å; V562-M566 VanDerWaalsContact CG1-CE 3.46Å; V562-M566 HydrophobicContact CG1-CG 3.82Å; V562-M566 WeakPolarHBondContact O-CG 3.45Å; V562-M566 PolarHBondContact O-N 3.39Å
563	R	82.7	Confident	85.7	Confident	119 Å²	119	48.5 Å²	48.5	45%	0.449	27%	0.266	S	S	.	.	H	α-helix	trans	-48.4	-47.3	-179.3	-170.4	-168.6	-75	-113.8	10.2	111.6	M559 D560 K565 D600	M559-R563 PolarHBondContact O-N 3.38Å; D560-R563 PolarHBondContact O-N 2.87Å; R563-K565 PolarHBondContact O-N 3.09Å; R563-D600 PolarHBondContact NH2-O 2.92Å
564	D	75.8	Confident	85.8	Confident	143 Å²	143	44.9 Å²	44.9	77%	0.765	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-2.4	-179.4	-60.6	-13.3	0	0	0	114.5	V562	V562-D564 VanDerWaalsContact C-N 3.26Å; V562-D564 PolarHBondContact O-N 3.04Å
565	K	73.9	Confident	86.1	Confident	93 Å²	93	43.4 Å²	43.4	40%	0.404	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133	-0.5	-168.3	-61.8	177.7	-166.4	163.9	0	114.2	E531 Y534 S561 V562 R563	E531-K565 IonicContact OE1-NZ 2.7Å; E531-K565 PolarHBondContact OE1-NZ 3.33Å; E531-K565 IonicContact OE2-NZ 2.72Å; E531-K565 PolarHBondContact OE2-NZ 2.84Å; Y534-K565 HydrophobicContact CE2-CB 4.03Å; Y534-K565 HydrophobicContact CE2-CD 4.06Å; S561-K565 WeakPolarHBondContact O-CD 3.4Å; V562-K565 CarbonylContact O-C 3.6Å; V562-K565 WeakPolarHBondContact O-CA 3.36Å; V562-K565 PolarHBondContact O-N 3.01Å; R563-K565 PolarHBondContact O-N 3.09Å
566	M	77.8	Confident	86.4	Confident	57 Å²	57	43.4 Å²	43.4	28%	0.281	23%	0.228	S	C	.	.			trans	-66.1	157.8	170.9	-67.5	-166.4	-168.5	0	0	111	I540 V562 T570 L572	I540-M566 HydrophobicContact CD1-CE 4.33Å; V562-M566 HydrophobicContact CB-CE 4.24Å; V562-M566 HydrophobicContact CG1-CE 3.46Å; V562-M566 VanDerWaalsContact CG1-CE 3.46Å; V562-M566 HydrophobicContact CG1-CG 3.82Å; V562-M566 WeakPolarHBondContact O-CG 3.45Å; V562-M566 PolarHBondContact O-N 3.39Å; M566-T570 HydrophobicContact CG-CG2 4.16Å; M566-T570 HydrophobicContact SD-CG2 3.82Å; M566-L572 HydrophobicContact CE-CB 3.94Å; M566-L572 HydrophobicContact CE-CD1 3.92Å; M566-L572 HydrophobicContact CE-CD2 4.01Å; M566-L572 HydrophobicContact CE-CG 4.15Å
567	C	70.1	Confident	86.5	Confident	70 Å²	70	39.3 Å²	39.3	47%	0.473	21%	0.213	S	C	.	.			trans	-93.6	150.6	165.3	-62.9	0	0	0	0	109.1	G569 T570	C567-G569 PolarHBondContact O-N 3.27Å; C567-T570 PolarHBondContact O-N 2.86Å; C567-T570 PolarHBondContact O-OG1 2.89Å
568	D	72.3	Confident	86.8	Confident	163 Å²	163	40.8 Å²	40.8	87%	0.872	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	108.7	172	-69	-51.4	0	0	0	109.5	Q634	D568-Q634 PolarHBondContact O-NE2 2.89Å
569	G	78.8	Confident	87.1	Confident	26 Å²	26	42 Å²	42	27%	0.268	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	119.2	-12.6	-175	0	0	0	0	0	115.9	C567 K630	C567-G569 PolarHBondContact O-N 3.27Å; G569-K630 WeakPolarHBondContact O-CD 3.34Å
570	T	90.3	Very high	87.2	Confident	13 Å²	13	43.6 Å²	43.6	8%	0.08	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-59.3	143.1	172	-61	0	0	0	0	111.1	A537 D538 I540 M566 C567 K630	A537-T570 WeakPolarHBondContact O-CG2 3.46Å; A537-T570 PolarHBondContact O-OG1 2.83Å; D538-T570 CarbonylContact O-C 3.56Å; D538-T570 WeakPolarHBondContact O-CA 3.27Å; I540-T570 HydrophobicContact CD1-CG2 3.93Å; I540-T570 HydrophobicContact CG1-CG2 3.95Å; M566-T570 HydrophobicContact CG-CG2 4.16Å; M566-T570 HydrophobicContact SD-CG2 3.82Å; C567-T570 PolarHBondContact O-N 2.86Å; C567-T570 PolarHBondContact O-OG1 2.89Å; T570-K630 PolarHBondContact O-NZ 2.91Å
571	V	93.7	Very high	87.3	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.6	173	-179.9	0	0	0	0	109.8	D538 G539 I540 L604 L623 M626 L627 K630	D538-V571 PolarHBondContact O-N 3.2Å; G539-V571 CarbonylContact C-O 3.45Å; G539-V571 WeakPolarHBondContact CA-O 3.48Å; I540-V571 PolarHBondContact N-O 3.09Å; V571-L604 HydrophobicContact CG1-CD1 3.82Å; V571-L623 HydrophobicContact CB-CD1 4.43Å; V571-L623 HydrophobicContact CG1-CD1 3.89Å; V571-M626 HydrophobicContact CG1-CB 4.3Å; V571-M626 HydrophobicContact CG2-CB 4.32Å; V571-L627 HydrophobicContact CB-CD2 4.08Å; V571-L627 HydrophobicContact CG2-CD2 3.8Å; V571-L627 HydrophobicContact CG2-CG 4.2Å; V571-K630 HydrophobicContact CG2-CD 3.77Å; V571-K630 HydrophobicContact CG2-CG 4.43Å
572	L	94.5	Very high	87.2	Confident	18 Å²	18	42.6 Å²	42.6	9%	0.094	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.1	171.2	-178.1	61.5	0	0	0	110.4	I540 A542 M559 M566 A603 L604	I540-L572 HydrophobicContact CB-CD1 4.3Å; I540-L572 HydrophobicContact CG2-CD1 4.1Å; A542-L572 HydrophobicContact CB-CD1 4.49Å; M559-L572 HydrophobicContact CG-CD1 4.48Å; M559-L572 HydrophobicContact CG-CD2 4.49Å; M559-L572 HydrophobicContact SD-CD2 4.24Å; M566-L572 HydrophobicContact CE-CB 3.94Å; M566-L572 HydrophobicContact CE-CD1 3.92Å; M566-L572 HydrophobicContact CE-CD2 4.01Å; M566-L572 HydrophobicContact CE-CG 4.15Å; L572-A603 HydrophobicContact CB-CB 4.22Å; L572-A603 HydrophobicContact CD2-CB 3.81Å; L572-A603 HydrophobicContact CG-CB 3.71Å; L572-A603 WeakPolarHBondContact O-CA 3.41Å; L572-L604 PolarHBondContact O-N 2.88Å
573	M	96.3	Very high	86.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.9	172.9	-176.8	179.4	-75.8	0	0	110.3	I540 L541 A542 L575 L604 L619 L623	I540-M573 PolarHBondContact O-N 2.92Å; L541-M573 CarbonylContact C-O 3.42Å; L541-M573 WeakPolarHBondContact CA-O 3.38Å; L541-M573 HydrophobicContact CD1-CB 3.82Å; L541-M573 HydrophobicContact CD1-SD 4.27Å; L541-M573 HydrophobicContact CG-CB 4.21Å; L541-M573 HydrophobicContact CG-SD 4.35Å; A542-M573 PolarHBondContact N-O 3.36Å; M573-L575 HydrophobicContact CG-CD2 3.92Å; M573-L575 HydrophobicContact CG-CG 4.26Å; M573-L575 HydrophobicContact SD-CD2 3.82Å; M573-L575 HydrophobicContact SD-CG 4.41Å; M573-L604 CarbonylContact C-O 3.6Å; M573-L604 WeakPolarHBondContact CA-O 3.41Å; M573-L604 HydrophobicContact CB-CB 4.14Å; M573-L604 HydrophobicContact CE-CB 3.95Å; M573-L604 HydrophobicContact CE-CD1 3.67Å; M573-L604 HydrophobicContact CE-CG 4.48Å; M573-L604 HydrophobicContact CG-CB 3.98Å; M573-L619 HydrophobicContact SD-CD1 3.9Å; M573-L623 HydrophobicContact CE-CB 3.92Å; M573-L623 HydrophobicContact CE-CD1 4.17Å
574	L	97.4	Very high	85.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.7	174.7	178.1	64.5	0	0	0	109.5	A542 Y544 V555 M559 L597 A598 A603 L604 F605 H606	A542-L574 HydrophobicContact CB-CD1 4.41Å; A542-L574 CarbonylContact O-C 3.56Å; A542-L574 WeakPolarHBondContact O-CA 3.19Å; Y544-L574 HydrophobicContact CD1-CD1 3.78Å; Y544-L574 HydrophobicContact CD1-CG 4.35Å; Y544-L574 HydrophobicContact CE1-CD1 3.98Å; Y544-L574 HydrophobicContact CE1-CD2 4.43Å; Y544-L574 HydrophobicContact CE1-CG 4.04Å; V555-L574 HydrophobicContact CG1-CD1 3.85Å; V555-L574 HydrophobicContact CG2-CD1 4.15Å; M559-L574 HydrophobicContact CE-CD1 4.26Å; M559-L574 HydrophobicContact SD-CD1 4.08Å; L574-L597 HydrophobicContact CD2-CB 4.03Å; L574-L597 HydrophobicContact CD2-CD2 3.9Å; L574-L597 HydrophobicContact CD2-CG 3.7Å; L574-A598 HydrophobicContact CB-CB 4.4Å; L574-A598 HydrophobicContact CD2-CB 4.15Å; L574-A603 HydrophobicContact CB-CB 4.49Å; L574-L604 PolarHBondContact N-O 3.34Å; L574-F605 HydrophobicContact CB-CD2 4.21Å; L574-F605 HydrophobicContact CD2-CD2 3.95Å; L574-F605 HydrophobicContact CD2-CE2 4.27Å; L574-F605 HydrophobicContact CG-CD2 4.01Å; L574-F605 HydrophobicContact CG-CE2 4.31Å; L574-F605 WeakPolarHBondContact O-CA 3.3Å; L574-H606 PolarHBondContact O-N 2.88Å
575	L	97.4	Very high	85.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.8	-175.8	-65.9	-175.9	0	0	0	112.6	L541 A542 M543 Y544 M573 H606 L619	L541-L575 HydrophobicContact CB-CD1 4.39Å; L541-L575 HydrophobicContact CD2-CD1 3.67Å; L541-L575 HydrophobicContact CG-CD1 3.9Å; L541-L575 HydrophobicContact CG-CG 4.48Å; A542-L575 PolarHBondContact O-N 2.87Å; M543-L575 WeakPolarHBondContact CA-O 3.42Å; M543-L575 HydrophobicContact CB-CB 4.49Å; M543-L575 HydrophobicContact CE-CB 4.39Å; M543-L575 HydrophobicContact CE-CD1 3.96Å; M543-L575 HydrophobicContact CG-CB 4.39Å; Y544-L575 VanDerWaalsContact CD1-O 3.26Å; Y544-L575 WeakPolarHBondContact CD1-O 3.47Å; Y544-L575 PolarHBondContact N-O 3.3Å; M573-L575 HydrophobicContact CG-CD2 3.92Å; M573-L575 HydrophobicContact CG-CG 4.26Å; M573-L575 HydrophobicContact SD-CD2 3.82Å; M573-L575 HydrophobicContact SD-CG 4.41Å; L575-H606 WeakPolarHBondContact CA-O 3.31Å; L575-H606 HydrophobicContact CD2-CB 3.89Å; L575-L619 HydrophobicContact CD1-CD1 4.02Å; L575-L619 HydrophobicContact CD1-CD2 4.31Å; L575-L619 HydrophobicContact CD2-CD1 4.13Å; L575-L619 HydrophobicContact CD2-CD2 3.81Å
576	G	97.1	Very high	86.1	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	100.6	166	0	0	0	0	0	110.7	H606 E607 C608	G576-H606 PolarHBondContact N-O 3.46Å; G576-E607 CarbonylContact O-C 3.57Å; G576-E607 VanDerWaalsContact O-CA 3.28Å; G576-E607 WeakPolarHBondContact O-CA 3.38Å; G576-C608 PolarHBondContact O-N 3.39Å
577	N	95.7	Very high	86.8	Confident	2 Å²	2	52 Å²	52	1%	0.011	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	167.5	-179.4	-170.2	23.7	0	0	0	112.1	V475 M543 Y544 V546 C608 A610	V475-N577 PolarHBondContact O-ND2 2.91Å; M543-N577 HydrophobicContact CE-CB 4.42Å; M543-N577 HydrophobicContact CG-CB 3.86Å; M543-N577 HydrophobicContact SD-CB 3.79Å; Y544-N577 PolarHBondContact O-N 3.43Å; V546-N577 PolarHBondContact N-O 3.43Å; N577-C608 CarbonylContact C-O 3.59Å; N577-C608 WeakPolarHBondContact CA-O 3.29Å; N577-A610 WeakPolarHBondContact OD1-CB 3.49Å; N577-A610 PolarHBondContact OD1-N 2.89Å
578	K	94.3	Very high	87.9	Confident	53 Å²	53	53.4 Å²	53.4	23%	0.23	28%	0.281	C	S	.	.			trans	67.7	34.7	-177.1	-47.5	-171.6	-164.6	167.2	0	114.6	G474 D545 D580 L581 C608	G474-K578 WeakPolarHBondContact O-CE 3.5Å; G474-K578 PolarHBondContact O-NZ 3.04Å; D545-K578 WeakPolarHBondContact OD2-CD 3.32Å; D545-K578 VanDerWaalsContact OD2-CE 3.23Å; D545-K578 WeakPolarHBondContact OD2-CE 3.47Å; D545-K578 IonicContact OD2-NZ 3.38Å; D545-K578 PolarHBondContact OD2-NZ 3.37Å; K578-D580 PolarHBondContact O-N 3.24Å; K578-L581 HydrophobicContact CB-CD1 4.23Å; K578-L581 HydrophobicContact CB-CG 4.44Å; K578-L581 HydrophobicContact CD-CD1 4.12Å; K578-L581 PolarHBondContact O-N 2.87Å; K578-C608 PolarHBondContact N-O 3.38Å
579	L	94	Very high	88.9	Confident	32 Å²	32	45.6 Å²	45.6	17%	0.168	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-54.9	-25.9	176	-168.8	64	0	0	0	113.3	L581 A582 E607 C608 Y614	L579-L581 PolarHBondContact O-N 3.42Å; L579-L581 VanDerWaalsContact O-N 3.16Å; L579-A582 HydrophobicContact CD1-CB 4.08Å; L579-A582 VanDerWaalsContact O-CB 3.22Å; L579-A582 WeakPolarHBondContact O-CB 3.34Å; L579-A582 PolarHBondContact O-N 3.42Å; L579-E607 HydrophobicContact CD1-CB 4.36Å; L579-E607 HydrophobicContact CD2-CB 4.19Å; L579-C608 WeakPolarHBondContact CB-O 3.43Å; L579-C608 PolarHBondContact N-O 2.95Å; L579-C608 VanDerWaalsContact N-O 3.07Å; L579-Y614 HydrophobicContact CD2-CD1 3.92Å; L579-Y614 HydrophobicContact CD2-CE1 3.81Å
580	D	92.5	Very high	89.7	Confident	34 Å²	34	47.6 Å²	47.6	18%	0.182	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-65.1	-11.1	174.7	65.7	-83.7	0	0	0	115.5	K578 S609 K611 T612	K578-D580 PolarHBondContact O-N 3.24Å; D580-S609 WeakPolarHBondContact CB-OG 3.42Å; D580-S609 WeakPolarHBondContact OD1-CB 3.49Å; D580-S609 PolarHBondContact OD1-OG 3.04Å; D580-K611 HydrophobicContact CB-CD 4.42Å; D580-K611 WeakPolarHBondContact OD2-CD 3.5Å; D580-K611 WeakPolarHBondContact OD2-CE 3.45Å; D580-K611 IonicContact OD2-NZ 3.76Å; D580-K611 PolarHBondContact OD2-NZ 3.44Å; D580-T612 HydrophobicContact CB-CG2 3.83Å
581	L	89.4	Confident	89.8	Confident	61 Å²	61	53.1 Å²	53.1	32%	0.319	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-100.9	-8.1	174.4	-57.6	-177.5	0	0	0	112.5	T547 K578 L579	T547-L581 HydrophobicContact CG2-CB 3.64Å; K578-L581 HydrophobicContact CB-CD1 4.23Å; K578-L581 HydrophobicContact CB-CG 4.44Å; K578-L581 HydrophobicContact CD-CD1 4.12Å; K578-L581 PolarHBondContact O-N 2.87Å; L579-L581 PolarHBondContact O-N 3.42Å; L579-L581 VanDerWaalsContact O-N 3.16Å
582	A	82.1	Confident	90	Very high	7 Å²	7	56.1 Å²	56.1	6%	0.058	29%	0.286	C	S	.	.	I	π-helix	trans	-75	-33.7	-170.9	0	0	0	0	0	113.8	V546 L579 N584 R587	V546-A582 HydrophobicContact CG2-CB 4.11Å; L579-A582 HydrophobicContact CD1-CB 4.08Å; L579-A582 VanDerWaalsContact O-CB 3.22Å; L579-A582 WeakPolarHBondContact O-CB 3.34Å; L579-A582 PolarHBondContact O-N 3.42Å; A582-N584 VanDerWaalsContact C-N 3.26Å; A582-N584 PolarHBondContact O-N 2.88Å; A582-R587 HydrophobicContact CB-CB 4.09Å; A582-R587 HydrophobicContact CB-CG 4.13Å
583	D	73.8	Confident	90	Very high	146 Å²	146	57.2 Å²	57.2	78%	0.781	29%	0.29	S	S	*	.	I	π-helix	trans	-66.9	-25.8	-174.2	-62.4	-34.4	0	0	0	113.3	N585	D583-N585 PolarHBondContact O-N 3.44Å; D583-N585 VanDerWaalsContact O-N 3.08Å
584	N	64.4	Low	89.9	Confident	123 Å²	123	57.2 Å²	57.2	66%	0.658	29%	0.29	S	S	*	.	I	π-helix	trans	-85.9	38.4	-176.7	-71.8	-37.5	0	0	0	113.2	A582 N586	A582-N584 VanDerWaalsContact C-N 3.26Å; A582-N584 PolarHBondContact O-N 2.88Å; N584-N586 PolarHBondContact O-N 3.49Å
585	N	72.3	Confident	89.9	Confident	163 Å²	163	60 Å²	60	87%	0.872	30%	0.303	S	S	*	.	I	π-helix	trans	60.7	1.5	-179.2	-124.5	24.3	0	0	0	116.3	D583 R587	D583-N585 PolarHBondContact O-N 3.44Å; D583-N585 VanDerWaalsContact O-N 3.08Å; N585-R587 VanDerWaalsContact C-N 3.26Å; N585-R587 PolarHBondContact O-N 3.43Å
586	N	83.1	Confident	89.9	Confident	101 Å²	101	66.8 Å²	66.8	54%	0.54	33%	0.329	S	S	.	.	I	π-helix	trans	-83.6	7.3	-179.3	-64.2	-32.7	0	0	0	113.6	T547 N584 E588	T547-N586 WeakPolarHBondContact CA-O 3.47Å; T547-N586 VanDerWaalsContact CB-O 3.28Å; T547-N586 WeakPolarHBondContact CB-O 3.39Å; T547-N586 HydrophobicContact CG2-CB 4.23Å; T547-N586 WeakPolarHBondContact CG2-O 3.42Å; N584-N586 PolarHBondContact O-N 3.49Å; N586-E588 PolarHBondContact O-N 3.23Å
587	R	92.6	Very high	89.8	Confident	77 Å²	77	66.8 Å²	66.8	29%	0.291	33%	0.329	S	S	.	.			trans	-76.7	108.9	-176.3	-171.9	179.1	177.8	124.8	16.9	110.8	A582 N585 I589 E607	A582-R587 HydrophobicContact CB-CB 4.09Å; A582-R587 HydrophobicContact CB-CG 4.13Å; N585-R587 VanDerWaalsContact C-N 3.26Å; N585-R587 PolarHBondContact O-N 3.43Å; R587-I589 WeakPolarHBondContact CG-O 3.48Å; R587-I589 PolarHBondContact NE-O 2.95Å; R587-I589 PolarHBondContact NH2-O 3.46Å; R587-E607 IonicContact CZ-OE1 3.02Å; R587-E607 IonicContact CZ-OE2 2.65Å; R587-E607 IonicContact NH1-OE2 3.71Å; R587-E607 PolarHBondContact NH1-OE2 3.02Å; R587-E607 IonicContact NH2-OE1 2.8Å; R587-E607 PolarHBondContact NH2-OE1 2.89Å; R587-E607 IonicContact NH2-OE2 2.74Å; R587-E607 PolarHBondContact NH2-OE2 2.93Å
588	E	93.7	Very high	89.8	Confident	99 Å²	99	66.8 Å²	66.8	46%	0.463	33%	0.329	S	S	.	.			trans	-93.5	-18	-179	-64.7	-165.6	162	0	0	114.3	V546 H548 R549 N586	V546-E588 PolarHBondContact O-N 3.5Å; H548-E588 WeakPolarHBondContact CA-OE2 3.29Å; R549-E588 HydrophobicContact CB-CB 4.12Å; R549-E588 VanDerWaalsContact CB-OE2 3.32Å; R549-E588 WeakPolarHBondContact CB-OE2 3.44Å; R549-E588 PolarHBondContact N-OE2 2.97Å; N586-E588 PolarHBondContact O-N 3.23Å
589	I	94.5	Very high	89.9	Confident	0 Å²	0	71 Å²	71	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	-120.3	122.6	176	-54.6	90.1	0	0	0	110	Y544 D545 V546 R549 F552 R587 E593	Y544-I589 HydrophobicContact CD2-CD1 4.24Å; Y544-I589 HydrophobicContact CE2-CB 4.08Å; Y544-I589 HydrophobicContact CE2-CD1 4.19Å; Y544-I589 HydrophobicContact CE2-CG1 4.14Å; Y544-I589 HydrophobicContact CE2-CG2 4.02Å; D545-I589 VanDerWaalsContact O-CD1 3.25Å; D545-I589 WeakPolarHBondContact O-CD1 3.38Å; V546-I589 PolarHBondContact O-N 3.47Å; R549-I589 HydrophobicContact CB-CD1 4.41Å; R549-I589 HydrophobicContact CG-CG1 4.33Å; F552-I589 HydrophobicContact CB-CD1 3.98Å; F552-I589 HydrophobicContact CB-CG1 3.67Å; F552-I589 HydrophobicContact CD1-CG1 4.12Å; F552-I589 HydrophobicContact CD1-CG2 4.32Å; F552-I589 HydrophobicContact CD2-CG1 4.26Å; F552-I589 HydrophobicContact CD2-CG2 3.95Å; F552-I589 HydrophobicContact CE1-CG2 4.3Å; F552-I589 HydrophobicContact CE2-CG2 3.93Å; F552-I589 HydrophobicContact CG-CG1 3.78Å; F552-I589 HydrophobicContact CG-CG2 4.14Å; F552-I589 HydrophobicContact CZ-CG2 4.11Å; R587-I589 WeakPolarHBondContact CG-O 3.48Å; R587-I589 PolarHBondContact NE-O 2.95Å; R587-I589 PolarHBondContact NH2-O 3.46Å; I589-E593 HydrophobicContact CG2-CB 3.98Å
590	T	93.6	Very high	89.9	Confident	68 Å²	68	73.8 Å²	73.8	42%	0.417	37%	0.365	S	S	.	.			trans	-78.3	148.3	175.2	65	0	0	0	0	111.5	P592 E593 G594	T590-P592 VanDerWaalsContact C-N 3.31Å; T590-E593 WeakPolarHBondContact CB-OE2 3.34Å; T590-E593 PolarHBondContact N-OE2 2.9Å; T590-E593 WeakPolarHBondContact O-CB 3.32Å; T590-E593 PolarHBondContact O-N 3.44Å; T590-E593 WeakPolarHBondContact OG1-CG 3.31Å; T590-E593 PolarHBondContact OG1-OE2 2.89Å; T590-G594 PolarHBondContact O-N 3.42Å
591	R	94.3	Very high	89.9	Confident	128 Å²	128	73.5 Å²	73.5	48%	0.483	36%	0.362	S	S	.	.	H	α-helix	trans	-53.3	-42.3	-179.8	-175.9	-175.8	157.6	140.9	6.8	112.6	E593 G594 E595 F605	R591-E593 VanDerWaalsContact C-N 3.29Å; R591-E593 PolarHBondContact O-N 2.99Å; R591-G594 WeakPolarHBondContact O-CA 3.36Å; R591-G594 PolarHBondContact O-N 3.34Å; R591-G594 VanDerWaalsContact O-N 3.07Å; R591-E595 HydrophobicContact CG-CG 4.4Å; R591-E595 IonicContact CZ-OE1 3.5Å; R591-E595 IonicContact NE-OE1 3.78Å; R591-E595 PolarHBondContact NE-OE1 3.27Å; R591-E595 IonicContact NE-OE2 2.66Å; R591-E595 IonicContact NH2-OE1 3.22Å; R591-E595 PolarHBondContact NH2-OE1 3.37Å; R591-E595 WeakPolarHBondContact O-CG 3.34Å; R591-E595 PolarHBondContact O-N 2.89Å; R591-F605 HydrophobicContact CG-CE1 4Å
592	P	96.1	Very high	90.1	Very high	67 Å²	67	79.4 Å²	79.4	44%	0.435	39%	0.387	S	S	.	.	H	α-helix	trans	-71.1	-12.4	175.8	-20.4	35.3	0	0	0	115.2	T590 R596	T590-P592 VanDerWaalsContact C-N 3.31Å; P592-R596 PolarHBondContact O-NE 2.91Å; P592-R596 PolarHBondContact O-NH2 3.48Å
593	E	95.4	Very high	90.6	Very high	40 Å²	40	79.9 Å²	79.9	19%	0.187	39%	0.391	C	S	.	.	H	α-helix	trans	-77.7	-38.3	166	-73.7	166	106.9	0	0	110.9	R549 F552 I589 T590 R591 L597	R549-E593 IonicContact CZ-OE1 3.92Å; R549-E593 IonicContact NH2-OE1 3.2Å; R549-E593 PolarHBondContact NH2-OE1 3.23Å; F552-E593 HydrophobicContact CZ-CB 4.18Å; I589-E593 HydrophobicContact CG2-CB 3.98Å; T590-E593 WeakPolarHBondContact CB-OE2 3.34Å; T590-E593 PolarHBondContact N-OE2 2.9Å; T590-E593 WeakPolarHBondContact O-CB 3.32Å; T590-E593 PolarHBondContact O-N 3.44Å; T590-E593 WeakPolarHBondContact OG1-CG 3.31Å; T590-E593 PolarHBondContact OG1-OE2 2.89Å; R591-E593 VanDerWaalsContact C-N 3.29Å; R591-E593 PolarHBondContact O-N 2.99Å; E593-L597 PolarHBondContact O-N 2.87Å; E593-L597 VanDerWaalsContact O-N 3.11Å
594	G	95.2	Very high	91.7	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-64.7	-46.4	174.2	0	0	0	0	0	112.9	T590 R591 L597 A598	T590-G594 PolarHBondContact O-N 3.42Å; R591-G594 WeakPolarHBondContact O-CA 3.36Å; R591-G594 PolarHBondContact O-N 3.34Å; R591-G594 VanDerWaalsContact O-N 3.07Å; G594-L597 PolarHBondContact O-N 2.87Å; G594-A598 PolarHBondContact O-N 3.3Å
595	E	96.4	Very high	93.2	Very high	58 Å²	58	70 Å²	70	27%	0.271	34%	0.337	S	S	.	.	H	α-helix	trans	-60.4	-48.4	178	-70.8	167.1	150.7	0	0	111.4	R591 L597 A598 E599 F605	R591-E595 HydrophobicContact CG-CG 4.4Å; R591-E595 IonicContact CZ-OE1 3.5Å; R591-E595 IonicContact NE-OE1 3.78Å; R591-E595 PolarHBondContact NE-OE1 3.27Å; R591-E595 IonicContact NE-OE2 2.66Å; R591-E595 IonicContact NH2-OE1 3.22Å; R591-E595 PolarHBondContact NH2-OE1 3.37Å; R591-E595 WeakPolarHBondContact O-CG 3.34Å; R591-E595 PolarHBondContact O-N 2.89Å; E595-L597 VanDerWaalsContact C-N 3.33Å; E595-L597 PolarHBondContact O-N 3.31Å; E595-A598 WeakPolarHBondContact O-CB 3.25Å; E595-A598 PolarHBondContact O-N 3.48Å; E595-E599 WeakPolarHBondContact O-CG 3.43Å; E595-E599 PolarHBondContact O-N 3.3Å; E595-F605 HydrophobicContact CB-CD1 4.4Å; E595-F605 HydrophobicContact CG-CD1 3.34Å; E595-F605 HydrophobicContact CG-CE1 3.67Å; E595-F605 HydrophobicContact CG-CG 4.08Å
596	R	97.2	Very high	94.4	Very high	143 Å²	143	64 Å²	64	54%	0.54	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-36.4	175.1	-80.5	177.1	-70.9	175.3	-0.2	113.4	P592 A598 E599 D600	P592-R596 PolarHBondContact O-NE 2.91Å; P592-R596 PolarHBondContact O-NH2 3.48Å; R596-A598 VanDerWaalsContact C-N 3.32Å; R596-E599 PolarHBondContact O-N 2.94Å; R596-D600 PolarHBondContact O-N 3.39Å
597	L	95.8	Very high	95.1	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.6	-32	173.5	173.5	56.9	0	0	0	112.1	F552 V555 R556 M559 L574 E593 G594 E595 Y601	F552-L597 HydrophobicContact CD2-CD2 3.93Å; F552-L597 HydrophobicContact CE1-CD2 4.47Å; F552-L597 HydrophobicContact CE2-CB 4.08Å; F552-L597 HydrophobicContact CE2-CD2 3.36Å; F552-L597 HydrophobicContact CE2-CG 4.33Å; F552-L597 HydrophobicContact CZ-CB 3.94Å; F552-L597 HydrophobicContact CZ-CD2 3.68Å; F552-L597 HydrophobicContact CZ-CG 4.44Å; V555-L597 HydrophobicContact CG1-CD2 3.9Å; R556-L597 HydrophobicContact CG-CD1 3.72Å; R556-L597 HydrophobicContact CG-CD2 3.91Å; M559-L597 HydrophobicContact CE-CD1 3.7Å; M559-L597 HydrophobicContact CE-CD2 3.94Å; M559-L597 HydrophobicContact CE-CG 3.83Å; L574-L597 HydrophobicContact CD2-CB 4.03Å; L574-L597 HydrophobicContact CD2-CD2 3.9Å; L574-L597 HydrophobicContact CD2-CG 3.7Å; E593-L597 PolarHBondContact O-N 2.87Å; E593-L597 VanDerWaalsContact O-N 3.11Å; G594-L597 PolarHBondContact O-N 2.87Å; E595-L597 VanDerWaalsContact C-N 3.33Å; E595-L597 PolarHBondContact O-N 3.31Å; L597-Y601 HydrophobicContact CD1-CD2 3.59Å; L597-Y601 HydrophobicContact CD1-CE2 3.38Å; L597-Y601 VanDerWaalsContact O-CD2 3.28Å; L597-Y601 WeakPolarHBondContact O-CD2 3.42Å
598	A	95.9	Very high	95.2	Very high	3 Å²	3	56.3 Å²	56.3	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-70.5	-40.1	173.7	0	0	0	0	0	111.6	L574 G594 E595 R596 Y601 Q602 A603 F605	L574-A598 HydrophobicContact CB-CB 4.4Å; L574-A598 HydrophobicContact CD2-CB 4.15Å; G594-A598 PolarHBondContact O-N 3.3Å; E595-A598 WeakPolarHBondContact O-CB 3.25Å; E595-A598 PolarHBondContact O-N 3.48Å; R596-A598 VanDerWaalsContact C-N 3.32Å; A598-Y601 CarbonylContact O-C 3.55Å; A598-Y601 PolarHBondContact O-N 3.48Å; A598-Y601 VanDerWaalsContact O-N 3.1Å; A598-Q602 PolarHBondContact O-N 3.47Å; A598-A603 HydrophobicContact CB-CB 4.13Å; A598-A603 PolarHBondContact O-N 2.95Å; A598-F605 HydrophobicContact CB-CB 3.62Å; A598-F605 HydrophobicContact CB-CD2 4.27Å; A598-F605 HydrophobicContact CB-CG 4.29Å
599	E	96	Very high	95.3	Very high	141 Å²	141	51.6 Å²	51.6	66%	0.659	25%	0.246	S	C	*	.	H	α-helix	trans	-58.4	-46.5	173.8	-68.1	171.2	163.1	0	0	112	E595 R596 Y601 Q602	E595-E599 WeakPolarHBondContact O-CG 3.43Å; E595-E599 PolarHBondContact O-N 3.3Å; R596-E599 PolarHBondContact O-N 2.94Å; E599-Y601 PolarHBondContact O-N 3.39Å; E599-Q602 PolarHBondContact O-N 2.91Å; E599-Q602 VanDerWaalsContact O-N 3.13Å
600	D	94.7	Very high	95.3	Very high	90 Å²	90	51.8 Å²	51.8	48%	0.481	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-25.8	173.8	-78.8	-17.7	0	0	0	113.4	R556 R563 R596	R556-D600 IonicContact NH1-OD2 2.96Å; R556-D600 PolarHBondContact NH1-OD2 3.47Å; R556-D600 VanDerWaalsContact NH1-OD2 3.17Å; R556-D600 IonicContact NH2-OD2 3.06Å; R563-D600 PolarHBondContact NH2-O 2.92Å; R596-D600 PolarHBondContact O-N 3.39Å
601	Y	91.8	Very high	95.3	Very high	29 Å²	29	53.1 Å²	53.1	11%	0.114	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	5.1	-174.9	-72.3	-105.7	0	0	0	113.6	M559 D560 L597 A598 E599 A603	M559-Y601 HydrophobicContact CB-CD1 3.46Å; M559-Y601 VanDerWaalsContact CB-CD1 3.46Å; M559-Y601 HydrophobicContact CB-CE1 3.5Å; M559-Y601 VanDerWaalsContact CB-CE1 3.5Å; M559-Y601 HydrophobicContact CB-CG 4.33Å; M559-Y601 HydrophobicContact CE-CD1 4.17Å; M559-Y601 HydrophobicContact CE-CD2 3.98Å; M559-Y601 HydrophobicContact CE-CE1 4.3Å; M559-Y601 HydrophobicContact CE-CE2 4.13Å; M559-Y601 HydrophobicContact CE-CG 4.01Å; M559-Y601 HydrophobicContact CG-CD1 4.46Å; M559-Y601 HydrophobicContact SD-CD1 4.35Å; M559-Y601 HydrophobicContact SD-CG 4.31Å; D560-Y601 VanDerWaalsContact CG-OH 3.29Å; D560-Y601 WeakPolarHBondContact OD1-CE1 3.42Å; D560-Y601 VanDerWaalsContact OD1-CZ 3.23Å; D560-Y601 PolarHBondContact OD1-OH 2.97Å; D560-Y601 PolarHBondContact OD2-OH 3.33Å; L597-Y601 HydrophobicContact CD1-CD2 3.59Å; L597-Y601 HydrophobicContact CD1-CE2 3.38Å; L597-Y601 VanDerWaalsContact O-CD2 3.28Å; L597-Y601 WeakPolarHBondContact O-CD2 3.42Å; A598-Y601 CarbonylContact O-C 3.55Å; A598-Y601 PolarHBondContact O-N 3.48Å; A598-Y601 VanDerWaalsContact O-N 3.1Å; E599-Y601 PolarHBondContact O-N 3.39Å; Y601-A603 PolarHBondContact O-N 3.3Å
602	Q	92.7	Very high	95.1	Very high	185 Å²	185	51.1 Å²	51.1	86%	0.864	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	34.3	-173.5	-58.5	-179.5	-8.2	0	0	113.3	A598 E599	A598-Q602 PolarHBondContact O-N 3.47Å; E599-Q602 PolarHBondContact O-N 2.91Å; E599-Q602 VanDerWaalsContact O-N 3.13Å
603	A	94.3	Very high	94.9	Very high	17 Å²	17	49 Å²	49	14%	0.14	24%	0.241	C	C	.	.			trans	-92.4	155.9	-179	0	0	0	0	0	112.2	L572 L574 A598 Y601	L572-A603 HydrophobicContact CB-CB 4.22Å; L572-A603 HydrophobicContact CD2-CB 3.81Å; L572-A603 HydrophobicContact CG-CB 3.71Å; L572-A603 WeakPolarHBondContact O-CA 3.41Å; L574-A603 HydrophobicContact CB-CB 4.49Å; A598-A603 HydrophobicContact CB-CB 4.13Å; A598-A603 PolarHBondContact O-N 2.95Å; Y601-A603 PolarHBondContact O-N 3.3Å
604	L	95.6	Very high	94.9	Very high	38 Å²	38	54 Å²	54	20%	0.199	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	148.7	162.6	-58.8	171.9	0	0	0	109.5	V571 L572 M573 L574 M626	V571-L604 HydrophobicContact CG1-CD1 3.82Å; L572-L604 PolarHBondContact O-N 2.88Å; M573-L604 CarbonylContact C-O 3.6Å; M573-L604 WeakPolarHBondContact CA-O 3.41Å; M573-L604 HydrophobicContact CB-CB 4.14Å; M573-L604 HydrophobicContact CE-CB 3.95Å; M573-L604 HydrophobicContact CE-CD1 3.67Å; M573-L604 HydrophobicContact CE-CG 4.48Å; M573-L604 HydrophobicContact CG-CB 3.98Å; L574-L604 PolarHBondContact N-O 3.34Å; L604-M626 HydrophobicContact CD1-CB 4.22Å; L604-M626 HydrophobicContact CD1-CG 3.93Å
605	F	97.2	Very high	94.7	Very high	23 Å²	23	57.4 Å²	57.4	10%	0.101	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.3	-180	-178.6	-99.8	0	0	0	113.2	Y544 L574 R591 E595 A598 E607	Y544-F605 HydrophobicContact CE1-CE2 4.19Å; L574-F605 HydrophobicContact CB-CD2 4.21Å; L574-F605 HydrophobicContact CD2-CD2 3.95Å; L574-F605 HydrophobicContact CD2-CE2 4.27Å; L574-F605 HydrophobicContact CG-CD2 4.01Å; L574-F605 HydrophobicContact CG-CE2 4.31Å; L574-F605 WeakPolarHBondContact O-CA 3.3Å; R591-F605 HydrophobicContact CG-CE1 4Å; E595-F605 HydrophobicContact CB-CD1 4.4Å; E595-F605 HydrophobicContact CG-CD1 3.34Å; E595-F605 HydrophobicContact CG-CE1 3.67Å; E595-F605 HydrophobicContact CG-CG 4.08Å; A598-F605 HydrophobicContact CB-CB 3.62Å; A598-F605 HydrophobicContact CB-CD2 4.27Å; A598-F605 HydrophobicContact CB-CG 4.29Å; F605-E607 HydrophobicContact CE1-CG 3.72Å; F605-E607 HydrophobicContact CZ-CG 3.62Å
606	H	97.1	Very high	94.6	Very high	37 Å²	37	54.8 Å²	54.8	17%	0.171	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.1	171.8	-58.6	-64.9	0	0	0	112.3	L574 L575 G576 Y615 L619 H622	L574-H606 PolarHBondContact O-N 2.88Å; L575-H606 WeakPolarHBondContact CA-O 3.31Å; L575-H606 HydrophobicContact CD2-CB 3.89Å; G576-H606 PolarHBondContact N-O 3.46Å; H606-Y615 HydrophobicContact CB-CD1 4.24Å; H606-Y615 HydrophobicContact CB-CE1 3.96Å; H606-Y615 AromaticContact CE1-CE1 3.2Å; H606-Y615 WeakPolarHBondContact CE1-CE1 3.41Å; H606-Y615 AromaticContact CE1-CZ 3.79Å; H606-Y615 PolarHBondContact CE1-OH 3.2Å; H606-Y615 AromaticContact CG-CE1 3.87Å; H606-Y615 AromaticContact ND1-CE1 3.53Å; H606-L619 HydrophobicContact CB-CB 4.33Å; H606-H622 AromaticContact NE2-CE1 3.48Å; H606-H622 PolarHBondContact NE2-CE1 2.89Å; H606-H622 AromaticContact NE2-ND1 3.24Å; H606-H622 PolarHBondContact NE2-ND1 3.18Å
607	E	96.3	Very high	94.5	Very high	16 Å²	16	52.6 Å²	52.6	8%	0.075	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.2	170.1	-54.2	-162.8	147.5	0	0	109.5	G576 L579 R587 F605	G576-E607 CarbonylContact O-C 3.57Å; G576-E607 VanDerWaalsContact O-CA 3.28Å; G576-E607 WeakPolarHBondContact O-CA 3.38Å; L579-E607 HydrophobicContact CD1-CB 4.36Å; L579-E607 HydrophobicContact CD2-CB 4.19Å; R587-E607 IonicContact CZ-OE1 3.02Å; R587-E607 IonicContact CZ-OE2 2.65Å; R587-E607 IonicContact NH1-OE2 3.71Å; R587-E607 PolarHBondContact NH1-OE2 3.02Å; R587-E607 IonicContact NH2-OE1 2.8Å; R587-E607 PolarHBondContact NH2-OE1 2.89Å; R587-E607 IonicContact NH2-OE2 2.74Å; R587-E607 PolarHBondContact NH2-OE2 2.93Å; F605-E607 HydrophobicContact CE1-CG 3.72Å; F605-E607 HydrophobicContact CZ-CG 3.62Å
608	C	95.9	Very high	94.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.282	C	S	.	.			trans	-149	171.7	-173.2	66.1	0	0	0	0	112.4	G576 N577 K578 L579 Y614 L619	G576-C608 PolarHBondContact O-N 3.39Å; N577-C608 CarbonylContact C-O 3.59Å; N577-C608 WeakPolarHBondContact CA-O 3.29Å; K578-C608 PolarHBondContact N-O 3.38Å; L579-C608 WeakPolarHBondContact CB-O 3.43Å; L579-C608 PolarHBondContact N-O 2.95Å; L579-C608 VanDerWaalsContact N-O 3.07Å; C608-Y614 WeakPolarHBondContact CA-O 3.37Å; C608-Y614 WeakPolarHBondContact CB-O 3.39Å; C608-L619 HydrophobicContact CB-CD2 3.83Å
609	S	95.4	Very high	94.4	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.007	28%	0.281	C	S	.	.			trans	-132.6	106.6	170.3	166.9	0	0	0	0	111.2	D580 K611 T612 G613 Y614	D580-S609 WeakPolarHBondContact CB-OG 3.42Å; D580-S609 WeakPolarHBondContact OD1-CB 3.49Å; D580-S609 PolarHBondContact OD1-OG 3.04Å; S609-K611 PolarHBondContact O-N 2.65Å; S609-K611 PolarHBondContact OG-N 2.78Å; S609-T612 WeakPolarHBondContact CB-OG1 3.26Å; S609-T612 PolarHBondContact O-N 3.43Å; S609-T612 PolarHBondContact OG-N 2.68Å; S609-T612 VanDerWaalsContact OG-N 3.13Å; S609-T612 PolarHBondContact OG-OG1 2.9Å; S609-G613 PolarHBondContact O-N 3.28Å; S609-Y614 PolarHBondContact N-O 3.46Å; S609-Y614 VanDerWaalsContact N-O 3.17Å; S609-Y614 PolarHBondContact O-N 2.9Å
610	A	94.6	Very high	94.3	Very high	3 Å²	3	50.7 Å²	50.7	3%	0.025	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-11.4	170.8	0	0	0	0	0	114.3	F480 H483 Y489 N577	F480-A610 HydrophobicContact CB-CB 3.97Å; F480-A610 HydrophobicContact CD2-CB 4.37Å; H483-A610 PolarHBondContact ND1-O 3.18Å; Y489-A610 WeakPolarHBondContact CD2-O 3.27Å; N577-A610 WeakPolarHBondContact OD1-CB 3.49Å; N577-A610 PolarHBondContact OD1-N 2.89Å
611	K	92.5	Very high	94.3	Very high	96 Å²	96	49.1 Å²	49.1	42%	0.417	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-43.6	178.2	-177.4	-160.2	-169.3	-175.1	0	112.4	Y489 D580 S609	Y489-K611 HydrophobicContact CD1-CB 4.38Å; Y489-K611 HydrophobicContact CD1-CG 3.88Å; Y489-K611 HydrophobicContact CD2-CB 4.32Å; Y489-K611 HydrophobicContact CE1-CB 4.22Å; Y489-K611 HydrophobicContact CE1-CG 3.68Å; Y489-K611 HydrophobicContact CE2-CB 4.13Å; Y489-K611 HydrophobicContact CE2-CG 4.5Å; Y489-K611 HydrophobicContact CG-CB 4.42Å; Y489-K611 HydrophobicContact CG-CG 4.38Å; D580-K611 HydrophobicContact CB-CD 4.42Å; D580-K611 WeakPolarHBondContact OD2-CD 3.5Å; D580-K611 WeakPolarHBondContact OD2-CE 3.45Å; D580-K611 IonicContact OD2-NZ 3.76Å; D580-K611 PolarHBondContact OD2-NZ 3.44Å; S609-K611 PolarHBondContact O-N 2.65Å; S609-K611 PolarHBondContact OG-N 2.78Å
612	T	91.8	Very high	94.5	Very high	86 Å²	86	50.1 Å²	50.1	53%	0.528	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-14.6	-177.5	58.2	0	0	0	0	113.6	D580 S609 Y614	D580-T612 HydrophobicContact CB-CG2 3.83Å; S609-T612 WeakPolarHBondContact CB-OG1 3.26Å; S609-T612 PolarHBondContact O-N 3.43Å; S609-T612 PolarHBondContact OG-N 2.68Å; S609-T612 VanDerWaalsContact OG-N 3.13Å; S609-T612 PolarHBondContact OG-OG1 2.9Å; T612-Y614 VanDerWaalsContact C-N 3.26Å; T612-Y614 WeakPolarHBondContact OG1-CB 3.41Å; T612-Y614 PolarHBondContact OG1-N 3.4Å
613	G	91.6	Very high	94.6	Very high	24 Å²	24	41.3 Å²	41.3	25%	0.247	21%	0.207	C	C	.	.			trans	85.4	-4.9	-170.7	0	0	0	0	0	113.3	H483 S609 Y615 M616	H483-G613 PolarHBondContact CE1-N 3.47Å; S609-G613 PolarHBondContact O-N 3.28Å; G613-Y615 PolarHBondContact O-N 3.48Å; G613-M616 WeakPolarHBondContact O-CB 3.46Å; G613-M616 WeakPolarHBondContact O-CG 3.43Å; G613-M616 PolarHBondContact O-N 3.43Å
614	Y	94	Very high	94.6	Very high	143 Å²	143	40.5 Å²	40.5	56%	0.561	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	123.9	-171.5	-177.2	-96.5	0	0	0	112.7	L579 C608 S609 T612 M616	L579-Y614 HydrophobicContact CD2-CD1 3.92Å; L579-Y614 HydrophobicContact CD2-CE1 3.81Å; C608-Y614 WeakPolarHBondContact CA-O 3.37Å; C608-Y614 WeakPolarHBondContact CB-O 3.39Å; S609-Y614 PolarHBondContact N-O 3.46Å; S609-Y614 VanDerWaalsContact N-O 3.17Å; S609-Y614 PolarHBondContact O-N 2.9Å; T612-Y614 VanDerWaalsContact C-N 3.26Å; T612-Y614 WeakPolarHBondContact OG1-CB 3.41Å; T612-Y614 PolarHBondContact OG1-N 3.4Å; Y614-M616 PolarHBondContact O-N 3.36Å
615	Y	92.6	Very high	94.6	Very high	72 Å²	72	42.6 Å²	42.6	28%	0.282	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	16.7	175.5	-153.9	-121	0	0	0	115.4	H606 G613 E618 L619	H606-Y615 HydrophobicContact CB-CD1 4.24Å; H606-Y615 HydrophobicContact CB-CE1 3.96Å; H606-Y615 AromaticContact CE1-CE1 3.2Å; H606-Y615 WeakPolarHBondContact CE1-CE1 3.41Å; H606-Y615 AromaticContact CE1-CZ 3.79Å; H606-Y615 PolarHBondContact CE1-OH 3.2Å; H606-Y615 AromaticContact CG-CE1 3.87Å; H606-Y615 AromaticContact ND1-CE1 3.53Å; G613-Y615 PolarHBondContact O-N 3.48Å; Y615-E618 VanDerWaalsContact C-OE2 3.29Å; Y615-E618 VanDerWaalsContact CA-OE2 3.26Å; Y615-E618 WeakPolarHBondContact CA-OE2 3.43Å; Y615-E618 HydrophobicContact CD2-CB 3.79Å; Y615-E618 HydrophobicContact CD2-CG 4.04Å; Y615-E618 HydrophobicContact CE2-CB 3.63Å; Y615-E618 HydrophobicContact CE2-CG 4.06Å; Y615-L619 WeakPolarHBondContact O-CD2 3.38Å; Y615-L619 PolarHBondContact O-N 3.18Å
616	M	94.7	Very high	94.4	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.02	22%	0.219	C	C	.	.	H	α-helix	trans	-76.6	-39	-175.7	-71.5	-171.7	64.5	0	0	113.9	F480 H483 G613 Y614 M620	F480-M616 HydrophobicContact CB-CE 4.29Å; F480-M616 HydrophobicContact CD1-CE 3.94Å; F480-M616 HydrophobicContact CD2-CE 3.5Å; F480-M616 VanDerWaalsContact CD2-CE 3.5Å; F480-M616 HydrophobicContact CD2-CG 4.21Å; F480-M616 HydrophobicContact CD2-SD 4.25Å; F480-M616 HydrophobicContact CE1-CE 4.03Å; F480-M616 HydrophobicContact CE2-CB 4.23Å; F480-M616 HydrophobicContact CE2-CE 3.61Å; F480-M616 HydrophobicContact CE2-CG 3.67Å; F480-M616 HydrophobicContact CE2-SD 4.26Å; F480-M616 HydrophobicContact CG-CE 3.65Å; F480-M616 HydrophobicContact CZ-CB 4.31Å; F480-M616 HydrophobicContact CZ-CE 3.85Å; F480-M616 HydrophobicContact CZ-CG 4.24Å; F480-M616 WeakPolarHBondContact O-CE 3.45Å; H483-M616 HydrophobicContact CB-CE 4Å; H483-M616 HydrophobicContact CB-SD 4.35Å; G613-M616 WeakPolarHBondContact O-CB 3.46Å; G613-M616 WeakPolarHBondContact O-CG 3.43Å; G613-M616 PolarHBondContact O-N 3.43Å; Y614-M616 PolarHBondContact O-N 3.36Å; M616-M620 WeakPolarHBondContact O-CG 3.44Å; M616-M620 PolarHBondContact O-N 2.81Å
617	D	93.3	Very high	94.2	Very high	96 Å²	96	42.9 Å²	42.9	51%	0.513	21%	0.212	S	C	.	.	H	α-helix	trans	-76	-41.1	-178.6	-73.5	-40.4	0	0	0	110.3	Y484 L619 M620 V621	Y484-D617 WeakPolarHBondContact CD2-OD1 3.37Å; Y484-D617 WeakPolarHBondContact CE2-OD1 3.29Å; D617-L619 PolarHBondContact O-N 3.45Å; D617-M620 PolarHBondContact O-N 3.39Å; D617-V621 WeakPolarHBondContact O-CG2 3.42Å; D617-V621 PolarHBondContact O-N 2.94Å
618	E	94.4	Very high	94	Very high	104 Å²	104	43 Å²	43	49%	0.486	21%	0.213	S	C	.	.	H	α-helix	trans	-61.7	-44.6	180	-59.3	93.6	143.2	0	0	112.1	Y615 M620 V621 H622	Y615-E618 VanDerWaalsContact C-OE2 3.29Å; Y615-E618 VanDerWaalsContact CA-OE2 3.26Å; Y615-E618 WeakPolarHBondContact CA-OE2 3.43Å; Y615-E618 HydrophobicContact CD2-CB 3.79Å; Y615-E618 HydrophobicContact CD2-CG 4.04Å; Y615-E618 HydrophobicContact CE2-CB 3.63Å; Y615-E618 HydrophobicContact CE2-CG 4.06Å; E618-M620 VanDerWaalsContact C-N 3.32Å; E618-M620 PolarHBondContact O-N 3.33Å; E618-V621 PolarHBondContact O-N 2.91Å; E618-H622 WeakPolarHBondContact O-CB 3.44Å; E618-H622 PolarHBondContact O-N 3.49Å
619	L	95.3	Very high	93.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.2	-32.8	178.2	83	82.2	0	0	0	112.1	F480 L541 M573 L575 H606 C608 Y615 D617 L623	F480-L619 HydrophobicContact CE2-CD2 3.97Å; F480-L619 HydrophobicContact CZ-CD1 3.9Å; F480-L619 HydrophobicContact CZ-CD2 4.03Å; F480-L619 HydrophobicContact CZ-CG 4.18Å; L541-L619 HydrophobicContact CD2-CD1 4.37Å; M573-L619 HydrophobicContact SD-CD1 3.9Å; L575-L619 HydrophobicContact CD1-CD1 4.02Å; L575-L619 HydrophobicContact CD1-CD2 4.31Å; L575-L619 HydrophobicContact CD2-CD1 4.13Å; L575-L619 HydrophobicContact CD2-CD2 3.81Å; H606-L619 HydrophobicContact CB-CB 4.33Å; C608-L619 HydrophobicContact CB-CD2 3.83Å; Y615-L619 WeakPolarHBondContact O-CD2 3.38Å; Y615-L619 PolarHBondContact O-N 3.18Å; D617-L619 PolarHBondContact O-N 3.45Å; L619-L623 WeakPolarHBondContact O-CB 3.2Å; L619-L623 PolarHBondContact O-N 3.05Å
620	M	95.4	Very high	93.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-78	-30.8	179.2	-68.9	-62.1	-65.2	0	0	112.3	F469 F480 Y484 L515 L517 L541 M616 D617 E618 L623 A624	F469-M620 HydrophobicContact CZ-SD 4.45Å; F480-M620 HydrophobicContact CE1-CG 4.09Å; F480-M620 HydrophobicContact CE1-SD 3.88Å; F480-M620 HydrophobicContact CZ-CG 4.06Å; F480-M620 HydrophobicContact CZ-SD 4.21Å; Y484-M620 HydrophobicContact CD1-CE 4.14Å; Y484-M620 HydrophobicContact CD1-CG 4.32Å; Y484-M620 HydrophobicContact CD2-CB 4.48Å; Y484-M620 HydrophobicContact CD2-CG 4.11Å; Y484-M620 HydrophobicContact CE1-CB 4.18Å; Y484-M620 HydrophobicContact CE1-CE 3.7Å; Y484-M620 HydrophobicContact CE1-CG 4.04Å; Y484-M620 HydrophobicContact CE2-CB 3.71Å; Y484-M620 HydrophobicContact CE2-CG 3.82Å; Y484-M620 HydrophobicContact CG-CG 4.36Å; Y484-M620 WeakPolarHBondContact OH-CB 3.33Å; L515-M620 HydrophobicContact CD1-CE 3.6Å; L517-M620 HydrophobicContact CD2-CE 3.77Å; L541-M620 HydrophobicContact CD2-SD 3.96Å; M616-M620 WeakPolarHBondContact O-CG 3.44Å; M616-M620 PolarHBondContact O-N 2.81Å; D617-M620 PolarHBondContact O-N 3.39Å; E618-M620 VanDerWaalsContact C-N 3.32Å; E618-M620 PolarHBondContact O-N 3.33Å; M620-L623 HydrophobicContact CE-CD2 4.19Å; M620-L623 HydrophobicContact SD-CD2 4.14Å; M620-A624 WeakPolarHBondContact O-CB 3.35Å; M620-A624 PolarHBondContact O-N 3.39Å; M620-A624 VanDerWaalsContact O-N 3.12Å
621	V	94.6	Very high	93.2	Very high	57 Å²	57	50.8 Å²	50.8	35%	0.345	25%	0.254	S	S	.	.	H	α-helix	trans	-65.7	-52	167.8	168.8	0	0	0	0	110.1	L508 D617 E618 L623 A624 E625	L508-V621 HydrophobicContact CD1-CG1 3.99Å; D617-V621 WeakPolarHBondContact O-CG2 3.42Å; D617-V621 PolarHBondContact O-N 2.94Å; E618-V621 PolarHBondContact O-N 2.91Å; V621-L623 VanDerWaalsContact C-N 3.29Å; V621-L623 PolarHBondContact O-N 2.93Å; V621-A624 CarbonylContact O-C 3.51Å; V621-A624 WeakPolarHBondContact O-CA 3.33Å; V621-A624 WeakPolarHBondContact O-CB 3.47Å; V621-A624 PolarHBondContact O-N 3.49Å; V621-E625 HydrophobicContact CG1-CG 4.48Å; V621-E625 WeakPolarHBondContact O-CG 3.35Å; V621-E625 PolarHBondContact O-N 3.31Å
622	H	95.1	Very high	92.9	Very high	51 Å²	51	49.2 Å²	49.2	24%	0.236	25%	0.25	C	C	.	.	H	α-helix	trans	-59.3	-38	178.5	178.5	-150.1	0	0	0	112.5	H606 E618 E625 M626	H606-H622 AromaticContact NE2-CE1 3.48Å; H606-H622 PolarHBondContact NE2-CE1 2.89Å; H606-H622 AromaticContact NE2-ND1 3.24Å; H606-H622 PolarHBondContact NE2-ND1 3.18Å; E618-H622 WeakPolarHBondContact O-CB 3.44Å; E618-H622 PolarHBondContact O-N 3.49Å; H622-E625 PolarHBondContact O-N 2.86Å; H622-M626 WeakPolarHBondContact O-CG 3.32Å; H622-M626 PolarHBondContact O-N 3.38Å; H622-M626 VanDerWaalsContact O-N 3.1Å
623	L	95.4	Very high	92.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.1	-47.4	169.6	179.6	68.6	0	0	0	111.6	V467 L541 V571 M573 L619 M620 V621 M626 L627	V467-L623 HydrophobicContact CG1-CD2 3.9Å; V467-L623 HydrophobicContact CG2-CD2 4.05Å; L541-L623 HydrophobicContact CD1-CD1 3.76Å; L541-L623 HydrophobicContact CD1-CD2 3.56Å; L541-L623 HydrophobicContact CD1-CG 4.28Å; L541-L623 HydrophobicContact CD2-CD2 4.26Å; V571-L623 HydrophobicContact CB-CD1 4.43Å; V571-L623 HydrophobicContact CG1-CD1 3.89Å; M573-L623 HydrophobicContact CE-CB 3.92Å; M573-L623 HydrophobicContact CE-CD1 4.17Å; L619-L623 WeakPolarHBondContact O-CB 3.2Å; L619-L623 PolarHBondContact O-N 3.05Å; M620-L623 HydrophobicContact CE-CD2 4.19Å; M620-L623 HydrophobicContact SD-CD2 4.14Å; V621-L623 VanDerWaalsContact C-N 3.29Å; V621-L623 PolarHBondContact O-N 2.93Å; L623-M626 PolarHBondContact O-N 3.35Å; L623-L627 HydrophobicContact CD1-CD1 4.34Å; L623-L627 HydrophobicContact CD2-CD1 4.47Å; L623-L627 HydrophobicContact CG-CD1 3.9Å; L623-L627 HydrophobicContact CG-CG 4.48Å; L623-L627 WeakPolarHBondContact O-CB 3.47Å; L623-L627 VanDerWaalsContact O-CG 3.24Å; L623-L627 WeakPolarHBondContact O-CG 3.3Å; L623-L627 PolarHBondContact O-N 2.93Å
624	A	94.5	Very high	92	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-37.9	-179.9	0	0	0	0	0	112.8	L506 L508 I513 M620 V621 L627 V628	L506-A624 HydrophobicContact CD1-CB 4.03Å; L506-A624 HydrophobicContact CD2-CB 4.19Å; L508-A624 HydrophobicContact CD1-CB 4.17Å; I513-A624 HydrophobicContact CD1-CB 4.09Å; I513-A624 HydrophobicContact CG2-CB 4.49Å; M620-A624 WeakPolarHBondContact O-CB 3.35Å; M620-A624 PolarHBondContact O-N 3.39Å; M620-A624 VanDerWaalsContact O-N 3.12Å; V621-A624 CarbonylContact O-C 3.51Å; V621-A624 WeakPolarHBondContact O-CA 3.33Å; V621-A624 WeakPolarHBondContact O-CB 3.47Å; V621-A624 PolarHBondContact O-N 3.49Å; A624-L627 PolarHBondContact O-N 2.85Å; A624-V628 WeakPolarHBondContact O-CG2 3.48Å; A624-V628 PolarHBondContact O-N 3.35Å
625	E	94.1	Very high	91.2	Very high	82 Å²	82	51.9 Å²	51.9	38%	0.383	26%	0.255	S	S	.	.	H	α-helix	trans	-60.2	-46	173	-65.5	-178.1	146.7	0	0	111.7	L508 V621 H622 V628 T629	L508-E625 HydrophobicContact CD1-CG 3.55Å; L508-E625 HydrophobicContact CD2-CG 4.09Å; L508-E625 HydrophobicContact CG-CG 4.35Å; V621-E625 HydrophobicContact CG1-CG 4.48Å; V621-E625 WeakPolarHBondContact O-CG 3.35Å; V621-E625 PolarHBondContact O-N 3.31Å; H622-E625 PolarHBondContact O-N 2.86Å; E625-V628 PolarHBondContact O-N 2.86Å; E625-T629 WeakPolarHBondContact O-CB 3.35Å; E625-T629 PolarHBondContact O-N 3.05Å; E625-T629 PolarHBondContact O-OG1 2.89Å
626	M	94.1	Very high	90.5	Very high	60 Å²	60	54.6 Å²	54.6	30%	0.296	27%	0.27	S	S	.	.	H	α-helix	trans	-69.7	-32	179.2	-72.1	-64.9	-63.8	0	0	112.9	V571 L604 H622 L623 K630	V571-M626 HydrophobicContact CG1-CB 4.3Å; V571-M626 HydrophobicContact CG2-CB 4.32Å; L604-M626 HydrophobicContact CD1-CB 4.22Å; L604-M626 HydrophobicContact CD1-CG 3.93Å; H622-M626 WeakPolarHBondContact O-CG 3.32Å; H622-M626 PolarHBondContact O-N 3.38Å; H622-M626 VanDerWaalsContact O-N 3.1Å; L623-M626 PolarHBondContact O-N 3.35Å; M626-K630 WeakPolarHBondContact O-CG 3.22Å; M626-K630 PolarHBondContact O-N 3.39Å
627	L	93.1	Very high	89.4	Confident	5 Å²	5	59 Å²	59	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-66.1	-52.1	171.6	-72.8	166.1	0	0	0	111.1	F465 V467 L515 D538 V571 L623 A624 T629 K630 D631	F465-L627 HydrophobicContact CB-CD1 3.96Å; F465-L627 HydrophobicContact CD1-CB 4.42Å; F465-L627 HydrophobicContact CD2-CB 3.84Å; F465-L627 HydrophobicContact CD2-CD1 4.14Å; F465-L627 HydrophobicContact CE1-CB 4.48Å; F465-L627 HydrophobicContact CE2-CB 3.9Å; F465-L627 HydrophobicContact CG-CB 4.12Å; F465-L627 HydrophobicContact CG-CD1 4.14Å; F465-L627 HydrophobicContact CZ-CB 4.23Å; V467-L627 HydrophobicContact CG2-CD1 4.18Å; L515-L627 HydrophobicContact CD2-CD1 4.17Å; D538-L627 HydrophobicContact CB-CD2 3.87Å; D538-L627 WeakPolarHBondContact O-CD2 3.43Å; V571-L627 HydrophobicContact CB-CD2 4.08Å; V571-L627 HydrophobicContact CG2-CD2 3.8Å; V571-L627 HydrophobicContact CG2-CG 4.2Å; L623-L627 HydrophobicContact CD1-CD1 4.34Å; L623-L627 HydrophobicContact CD2-CD1 4.47Å; L623-L627 HydrophobicContact CG-CD1 3.9Å; L623-L627 HydrophobicContact CG-CG 4.48Å; L623-L627 WeakPolarHBondContact O-CB 3.47Å; L623-L627 VanDerWaalsContact O-CG 3.24Å; L623-L627 WeakPolarHBondContact O-CG 3.3Å; L623-L627 PolarHBondContact O-N 2.93Å; A624-L627 PolarHBondContact O-N 2.85Å; L627-T629 VanDerWaalsContact C-N 3.3Å; L627-T629 PolarHBondContact O-N 3.46Å; L627-K630 PolarHBondContact O-N 3.46Å; L627-K630 VanDerWaalsContact O-N 3.14Å; L627-D631 WeakPolarHBondContact O-CB 3.16Å; L627-D631 PolarHBondContact O-N 3.45Å
628	V	91.9	Very high	88.4	Confident	18 Å²	18	57 Å²	57	11%	0.109	29%	0.291	C	S	.	.	H	α-helix	trans	-56.1	-45.2	176	170.8	0	0	0	0	111.1	F465 I513 A624 E625 K630 D631 D632	F465-V628 HydrophobicContact CE2-CG2 3.81Å; F465-V628 HydrophobicContact CZ-CG2 4.19Å; I513-V628 HydrophobicContact CD1-CG2 3.53Å; I513-V628 HydrophobicContact CG1-CG2 4.33Å; A624-V628 WeakPolarHBondContact O-CG2 3.48Å; A624-V628 PolarHBondContact O-N 3.35Å; E625-V628 PolarHBondContact O-N 2.86Å; V628-K630 VanDerWaalsContact C-N 3.26Å; V628-K630 PolarHBondContact O-N 2.89Å; V628-D631 PolarHBondContact O-N 2.84Å; V628-D632 WeakPolarHBondContact CG1-OD2 3.37Å; V628-D632 WeakPolarHBondContact O-CB 3.37Å; V628-D632 PolarHBondContact O-N 3.04Å
629	T	90.8	Very high	87	Confident	55 Å²	55	59.2 Å²	59.2	34%	0.337	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-27.8	-178.9	-57.2	0	0	0	0	113.2	E625 L627 R633	E625-T629 WeakPolarHBondContact O-CB 3.35Å; E625-T629 PolarHBondContact O-N 3.05Å; E625-T629 PolarHBondContact O-OG1 2.89Å; L627-T629 VanDerWaalsContact C-N 3.3Å; L627-T629 PolarHBondContact O-N 3.46Å; T629-R633 WeakPolarHBondContact O-CD 3.36Å; T629-R633 VanDerWaalsContact O-CG 3.3Å; T629-R633 WeakPolarHBondContact O-CG 3.26Å
630	K	88.9	Confident	85.6	Confident	70 Å²	70	64.5 Å²	64.5	30%	0.304	33%	0.327	S	S	.	.	H	α-helix	trans	-86.1	-38.2	174.8	-72.4	-164.8	-177.5	-167.9	0	112.6	G569 T570 V571 M626 L627 V628 R633 Q634	G569-K630 WeakPolarHBondContact O-CD 3.34Å; T570-K630 PolarHBondContact O-NZ 2.91Å; V571-K630 HydrophobicContact CG2-CD 3.77Å; V571-K630 HydrophobicContact CG2-CG 4.43Å; M626-K630 WeakPolarHBondContact O-CG 3.22Å; M626-K630 PolarHBondContact O-N 3.39Å; L627-K630 PolarHBondContact O-N 3.46Å; L627-K630 VanDerWaalsContact O-N 3.14Å; V628-K630 VanDerWaalsContact C-N 3.26Å; V628-K630 PolarHBondContact O-N 2.89Å; K630-R633 PolarHBondContact O-N 3.04Å; K630-Q634 WeakPolarHBondContact O-CG 3.47Å; K630-Q634 PolarHBondContact O-N 3.26Å
631	D	88.4	Confident	83.8	Confident	44 Å²	44	70.1 Å²	70.1	24%	0.235	36%	0.356	C	S	.	.	H	α-helix	trans	-60.4	-45.3	174	-176.7	56.5	0	0	0	111.2	R463 F465 L627 V628 R633 Q634 C635	R463-D631 WeakPolarHBondContact CD-OD2 3.47Å; R463-D631 IonicContact CZ-OD2 3.2Å; R463-D631 IonicContact NE-OD2 3.77Å; R463-D631 IonicContact NH1-OD2 2.62Å; R463-D631 PolarHBondContact NH1-OD2 3.38Å; F465-D631 HydrophobicContact CE1-CB 3.79Å; F465-D631 HydrophobicContact CZ-CB 3.87Å; L627-D631 WeakPolarHBondContact O-CB 3.16Å; L627-D631 PolarHBondContact O-N 3.45Å; V628-D631 PolarHBondContact O-N 2.84Å; D631-R633 PolarHBondContact O-N 3.44Å; D631-Q634 PolarHBondContact O-N 3.39Å; D631-C635 PolarHBondContact O-N 2.84Å; D631-C635 PolarHBondContact O-SG 3.11Å; D631-C635 VanDerWaalsContact O-SG 3.42Å
632	D	86.8	Confident	82	Confident	63 Å²	63	71.3 Å²	71.3	34%	0.337	36%	0.364	S	S	.	.	H	α-helix	trans	-58.7	-45.4	174.2	-75.9	-30.4	0	0	0	112.2	R463 V628 C635 E636	R463-D632 IonicContact CZ-OD1 3.04Å; R463-D632 IonicContact NH1-OD1 3.28Å; R463-D632 PolarHBondContact NH1-OD1 3.15Å; R463-D632 IonicContact NH1-OD2 3.92Å; R463-D632 IonicContact NH2-OD1 3.83Å; R463-D632 PolarHBondContact NH2-OD1 3.44Å; R463-D632 IonicContact NH2-OD2 2.7Å; R463-D632 PolarHBondContact NH2-OD2 2.86Å; V628-D632 WeakPolarHBondContact CG1-OD2 3.37Å; V628-D632 WeakPolarHBondContact O-CB 3.37Å; V628-D632 PolarHBondContact O-N 3.04Å; D632-C635 WeakPolarHBondContact O-CB 3.28Å; D632-C635 PolarHBondContact O-N 3.44Å; D632-E636 WeakPolarHBondContact O-CG 3.46Å; D632-E636 PolarHBondContact O-N 2.88Å
633	R	84.4	Confident	80.1	Confident	150 Å²	150	74.9 Å²	74.9	57%	0.566	38%	0.38	S	S	*	.	H	α-helix	trans	-64.8	-41.3	177.3	-70.6	173.5	-170.1	-176.1	4.6	112.4	T629 K630 D631 C635 E636 D637	T629-R633 WeakPolarHBondContact O-CD 3.36Å; T629-R633 VanDerWaalsContact O-CG 3.3Å; T629-R633 WeakPolarHBondContact O-CG 3.26Å; K630-R633 PolarHBondContact O-N 3.04Å; D631-R633 PolarHBondContact O-N 3.44Å; R633-C635 VanDerWaalsContact C-N 3.27Å; R633-C635 PolarHBondContact O-N 3.29Å; R633-E636 PolarHBondContact O-N 2.9Å; R633-D637 WeakPolarHBondContact O-CB 3.34Å; R633-D637 PolarHBondContact O-N 3.1Å
634	Q	80.4	Confident	78	Confident	90 Å²	90	78 Å²	78	42%	0.421	40%	0.397	S	S	.	.	H	α-helix	trans	-60.5	-37.9	173.4	-76.3	-179.6	-17.2	0	0	111.6	D568 K630 D631 A638	D568-Q634 PolarHBondContact O-NE2 2.89Å; K630-Q634 WeakPolarHBondContact O-CG 3.47Å; K630-Q634 PolarHBondContact O-N 3.26Å; D631-Q634 PolarHBondContact O-N 3.39Å; Q634-A638 WeakPolarHBondContact O-CB 3.34Å; Q634-A638 PolarHBondContact O-N 2.86Å
635	C	77.8	Confident	76	Confident	68 Å²	68	81.5 Å²	81.5	46%	0.459	42%	0.419	S	S	.	.	H	α-helix	trans	-67.2	-41	174.3	-72.2	0	0	0	0	112.8	D631 D632 R633 F639	D631-C635 PolarHBondContact O-N 2.84Å; D631-C635 PolarHBondContact O-SG 3.11Å; D631-C635 VanDerWaalsContact O-SG 3.42Å; D632-C635 WeakPolarHBondContact O-CB 3.28Å; D632-C635 PolarHBondContact O-N 3.44Å; R633-C635 VanDerWaalsContact C-N 3.27Å; R633-C635 PolarHBondContact O-N 3.29Å; C635-F639 PolarHBondContact O-N 3.26Å
636	E	76.4	Confident	73.9	Confident	129 Å²	129	80.2 Å²	80.2	60%	0.603	42%	0.422	S	S	*	.	H	α-helix	trans	-64.4	-49.9	175.2	-71.4	179.7	155.8	0	0	111.8	D632 R633 A638 F639 L640	D632-E636 WeakPolarHBondContact O-CG 3.46Å; D632-E636 PolarHBondContact O-N 2.88Å; R633-E636 PolarHBondContact O-N 2.9Å; E636-A638 VanDerWaalsContact C-N 3.34Å; E636-A638 PolarHBondContact O-N 2.9Å; E636-F639 WeakPolarHBondContact O-CB 3.42Å; E636-F639 PolarHBondContact O-N 2.78Å; E636-F639 VanDerWaalsContact O-N 3.13Å; E636-L640 WeakPolarHBondContact O-CG 3.27Å; E636-L640 PolarHBondContact O-N 2.89Å
637	D	72.8	Confident	71.7	Confident	97 Å²	97	83.7 Å²	83.7	52%	0.519	44%	0.438	S	S	.	.	H	α-helix	trans	-60.4	-41.6	177.2	-76.4	-32.1	0	0	0	111.7	R633 F639 L640 L641	R633-D637 WeakPolarHBondContact O-CB 3.34Å; R633-D637 PolarHBondContact O-N 3.1Å; D637-F639 VanDerWaalsContact C-N 3.34Å; D637-F639 PolarHBondContact O-N 3.38Å; D637-L640 PolarHBondContact O-N 3.43Å; D637-L641 WeakPolarHBondContact O-CG 3.38Å; D637-L641 PolarHBondContact O-N 2.76Å; D637-L641 VanDerWaalsContact O-N 3.1Å
638	A	72.1	Confident	69.7	Low	53 Å²	53	91.1 Å²	91.1	44%	0.438	47%	0.465	S	S	.	.	H	α-helix	trans	-64.1	-37.6	175.3	0	0	0	0	0	112.4	Q634 E636 T642	Q634-A638 WeakPolarHBondContact O-CB 3.34Å; Q634-A638 PolarHBondContact O-N 2.86Å; E636-A638 VanDerWaalsContact C-N 3.34Å; E636-A638 PolarHBondContact O-N 2.9Å; A638-T642 PolarHBondContact O-N 2.88Å
639	F	65.1	Low	67.5	Low	152 Å²	152	95.3 Å²	95.3	67%	0.667	49%	0.487	S	S	*	.	H	α-helix	trans	-62.1	-51	174.3	-113.6	-91	0	0	0	111.3	C635 E636 D637 L641 T642 E643	C635-F639 PolarHBondContact O-N 3.26Å; E636-F639 WeakPolarHBondContact O-CB 3.42Å; E636-F639 PolarHBondContact O-N 2.78Å; E636-F639 VanDerWaalsContact O-N 3.13Å; D637-F639 VanDerWaalsContact C-N 3.34Å; D637-F639 PolarHBondContact O-N 3.38Å; F639-L641 VanDerWaalsContact C-N 3.29Å; F639-L641 PolarHBondContact O-N 3.38Å; F639-T642 PolarHBondContact O-N 2.75Å; F639-T642 PolarHBondContact O-OG1 3.34Å; F639-E643 PolarHBondContact O-N 3.08Å
640	L	64.9	Low	65.4	Low	110 Å²	110	97.2 Å²	97.2	58%	0.576	50%	0.501	S	S	*	.	H	α-helix	trans	-58	-39.8	-179.9	-67.2	169.5	0	0	0	112.4	E636 D637 T642 E643 D644	E636-L640 WeakPolarHBondContact O-CG 3.27Å; E636-L640 PolarHBondContact O-N 2.89Å; D637-L640 PolarHBondContact O-N 3.43Å; L640-T642 VanDerWaalsContact C-N 3.28Å; L640-T642 PolarHBondContact O-N 3.36Å; L640-E643 PolarHBondContact O-N 2.89Å; L640-D644 PolarHBondContact O-N 3.23Å
641	L	59	Low	63.4	Low	118 Å²	118	97.9 Å²	97.9	62%	0.618	51%	0.514	S	S	*	.	H	α-helix	trans	-65.7	-27.3	175.5	-71.2	169.9	0	0	0	113.4	D637 F639 T645	D637-L641 WeakPolarHBondContact O-CG 3.38Å; D637-L641 PolarHBondContact O-N 2.76Å; D637-L641 VanDerWaalsContact O-N 3.1Å; F639-L641 VanDerWaalsContact C-N 3.29Å; F639-L641 PolarHBondContact O-N 3.38Å; L641-T645 WeakPolarHBondContact O-CG2 3.42Å; L641-T645 PolarHBondContact O-N 2.82Å; L641-T645 PolarHBondContact O-OG1 3.28Å
642	T	56.6	Low	61.4	Low	83 Å²	83	98.9 Å²	98.9	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-77.9	-32	175.2	56.6	0	0	0	0	113.8	A638 F639 L640 T645 A646	A638-T642 PolarHBondContact O-N 2.88Å; F639-T642 PolarHBondContact O-N 2.75Å; F639-T642 PolarHBondContact O-OG1 3.34Å; L640-T642 VanDerWaalsContact C-N 3.28Å; L640-T642 PolarHBondContact O-N 3.36Å; T642-T645 WeakPolarHBondContact CA-OG1 3.24Å; T642-T645 PolarHBondContact O-OG1 3.38Å; T642-A646 WeakPolarHBondContact O-CB 3.37Å; T642-A646 PolarHBondContact O-N 2.85Å
643	E	54.3	Low	59.4	Low	125 Å²	125	102.9 Å²	102.9	58%	0.584	55%	0.549	S	S	*	.	H	α-helix	trans	-69.1	-42.9	173.2	-62.9	-159.3	142.4	0	0	112	F639 L640 T645 A646 Q647	F639-E643 PolarHBondContact O-N 3.08Å; L640-E643 PolarHBondContact O-N 2.89Å; E643-T645 VanDerWaalsContact C-N 3.33Å; E643-T645 PolarHBondContact O-N 3.32Å; E643-A646 WeakPolarHBondContact O-CB 3.24Å; E643-A646 PolarHBondContact O-N 3.33Å; E643-Q647 PolarHBondContact O-N 2.77Å
644	D	51.5	Low	57.6	Low	66 Å²	66	100.1 Å²	100.1	35%	0.353	55%	0.553	S	S	.	*	H	α-helix	trans	-68.7	-31.9	-178.8	-164.3	28.8	0	0	0	112	L640 R648	L640-D644 PolarHBondContact O-N 3.23Å; D644-R648 WeakPolarHBondContact O-CD 3.31Å; D644-R648 WeakPolarHBondContact O-CG 3.32Å; D644-R648 PolarHBondContact O-N 3.19Å; D644-R648 VanDerWaalsContact O-N 3.12Å; D644-R648 IonicContact OD1-NE 3.67Å; D644-R648 IonicContact OD1-NH2 3.92Å; D644-R648 IonicContact OD2-CZ 2.69Å; D644-R648 IonicContact OD2-NE 3.75Å; D644-R648 PolarHBondContact OD2-NE 3.26Å; D644-R648 IonicContact OD2-NH2 3.18Å; D644-R648 PolarHBondContact OD2-NH2 2.96Å
645	T	51.9	Low	56	Low	74 Å²	74	104.7 Å²	104.7	45%	0.454	57%	0.571	S	S	.	*	H	α-helix	trans	-75	-31.7	171.1	47.9	0	0	0	0	113.2	L641 T642 E643 N649	L641-T645 WeakPolarHBondContact O-CG2 3.42Å; L641-T645 PolarHBondContact O-N 2.82Å; L641-T645 PolarHBondContact O-OG1 3.28Å; T642-T645 WeakPolarHBondContact CA-OG1 3.24Å; T642-T645 PolarHBondContact O-OG1 3.38Å; E643-T645 VanDerWaalsContact C-N 3.33Å; E643-T645 PolarHBondContact O-N 3.32Å; T645-N649 WeakPolarHBondContact O-CB 3.35Å; T645-N649 PolarHBondContact O-N 2.86Å; T645-N649 VanDerWaalsContact O-N 3.09Å; T645-N649 PolarHBondContact O-ND2 3.38Å
646	A	50.6	Low	54.5	Low	54 Å²	54	110.8 Å²	110.8	45%	0.446	59%	0.59	S	S	.	*	H	α-helix	trans	-62.8	-47.1	170.6	0	0	0	0	0	111.6	T642 E643 R648 N649 C650	T642-A646 WeakPolarHBondContact O-CB 3.37Å; T642-A646 PolarHBondContact O-N 2.85Å; E643-A646 WeakPolarHBondContact O-CB 3.24Å; E643-A646 PolarHBondContact O-N 3.33Å; A646-R648 PolarHBondContact O-N 3.47Å; A646-N649 PolarHBondContact O-N 2.77Å; A646-C650 PolarHBondContact O-N 3.44Å
647	Q	48.5	Very low	53	Low	134 Å²	134	114.2 Å²	114.2	63%	0.626	60%	0.603	S	S	*	*	H	α-helix	trans	-62	-43.8	176.9	-69.7	-166.4	11	0	0	112.4	E643 N649 C650 C651	E643-Q647 PolarHBondContact O-N 2.77Å; Q647-N649 VanDerWaalsContact C-N 3.31Å; Q647-N649 PolarHBondContact O-N 2.9Å; Q647-C650 WeakPolarHBondContact O-CB 3.44Å; Q647-C650 PolarHBondContact O-N 3.47Å; Q647-C651 PolarHBondContact O-N 2.92Å; Q647-C651 PolarHBondContact O-SG 3.21Å
648	R	49.6	Very low	51.5	Low	160 Å²	160	121.3 Å²	121.3	60%	0.604	64%	0.638	S	S	*	*	H	α-helix	trans	-60.9	-37.8	177.1	-70.9	168.5	-165.8	-160.6	2.5	112.5	D644 A646 C651 A652	D644-R648 WeakPolarHBondContact O-CD 3.31Å; D644-R648 WeakPolarHBondContact O-CG 3.32Å; D644-R648 PolarHBondContact O-N 3.19Å; D644-R648 VanDerWaalsContact O-N 3.12Å; D644-R648 IonicContact OD1-NE 3.67Å; D644-R648 IonicContact OD1-NH2 3.92Å; D644-R648 IonicContact OD2-CZ 2.69Å; D644-R648 IonicContact OD2-NE 3.75Å; D644-R648 PolarHBondContact OD2-NE 3.26Å; D644-R648 IonicContact OD2-NH2 3.18Å; D644-R648 PolarHBondContact OD2-NH2 2.96Å; A646-R648 PolarHBondContact O-N 3.47Å; R648-C651 PolarHBondContact O-N 2.84Å; R648-A652 PolarHBondContact O-N 3.17Å
649	N	46.5	Very low	50.5	Low	107 Å²	107	124.8 Å²	124.8	57%	0.572	65%	0.648	S	S	*	*	H	α-helix	trans	-68.8	-38.5	175.1	-75.4	-32.8	0	0	0	112.6	T645 A646 Q647 C651 A652 L653	T645-N649 WeakPolarHBondContact O-CB 3.35Å; T645-N649 PolarHBondContact O-N 2.86Å; T645-N649 VanDerWaalsContact O-N 3.09Å; T645-N649 PolarHBondContact O-ND2 3.38Å; A646-N649 PolarHBondContact O-N 2.77Å; Q647-N649 VanDerWaalsContact C-N 3.31Å; Q647-N649 PolarHBondContact O-N 2.9Å; N649-C651 VanDerWaalsContact C-N 3.34Å; N649-C651 PolarHBondContact O-N 3.45Å; N649-A652 PolarHBondContact O-N 3.28Å; N649-L653 PolarHBondContact O-N 2.82Å
650	C	47.5	Very low	49.7	Very low	94 Å²	94	123.3 Å²	123.3	64%	0.635	65%	0.647	S	S	*	*	H	α-helix	trans	-61.4	-40.1	171.1	-71.7	0	0	0	0	112.4	A646 Q647 A652	A646-C650 PolarHBondContact O-N 3.44Å; Q647-C650 WeakPolarHBondContact O-CB 3.44Å; Q647-C650 PolarHBondContact O-N 3.47Å; C650-A652 VanDerWaalsContact C-N 3.33Å; C650-A652 PolarHBondContact O-N 3.35Å
651	C	46.4	Very low	48.9	Very low	85 Å²	85	124.1 Å²	124.1	57%	0.574	65%	0.651	S	S	*	*	H	α-helix	trans	-73	-19.2	177	-68.2	0	0	0	0	114.5	Q647 R648 N649 S654	Q647-C651 PolarHBondContact O-N 2.92Å; Q647-C651 PolarHBondContact O-SG 3.21Å; R648-C651 PolarHBondContact O-N 2.84Å; N649-C651 VanDerWaalsContact C-N 3.34Å; N649-C651 PolarHBondContact O-N 3.45Å; C651-S654 PolarHBondContact O-OG 2.9Å
652	A	46.5	Very low	48.3	Very low	65 Å²	65	124.4 Å²	124.4	54%	0.537	65%	0.653	S	S	.	*	H	α-helix	trans	-76.6	-34.8	175.2	0	0	0	0	0	112.6	R648 N649 C650 S654	R648-A652 PolarHBondContact O-N 3.17Å; N649-A652 PolarHBondContact O-N 3.28Å; C650-A652 VanDerWaalsContact C-N 3.33Å; C650-A652 PolarHBondContact O-N 3.35Å; A652-S654 PolarHBondContact O-N 3.11Å
653	L	45.4	Very low	47.7	Very low	147 Å²	147	127 Å²	127	77%	0.77	66%	0.662	S	S	*	*	H	α-helix	trans	-74.2	-22.5	-176.7	-79.4	160.3	0	0	0	114	N649	N649-L653 PolarHBondContact O-N 2.82Å
654	S	45.1	Very low	47.3	Very low	92 Å²	92	127.1 Å²	127.1	64%	0.643	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-14.2	-180	59.7	0	0	0	0	114.7	C651 A652	C651-S654 PolarHBondContact O-OG 2.9Å; A652-S654 PolarHBondContact O-N 3.11Å
655	K	47.5	Very low	47	Very low	185 Å²	185	131.5 Å²	131.5	80%	0.804	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	18.6	-177.2	-70.2	-170.5	175.8	-179	0	115
656	K	46.6	Very low	46.6	Very low	197 Å²	197	135.9 Å²	135.9	86%	0.857	71%	0.708	S	S	*	*	S	Bend	trans	-123.9	27.9	-178.3	-126.5	176.1	-174.8	179.4	0	115
657	K	45.4	Very low	46.3	Very low	201 Å²	201	142.8 Å²	142.8	87%	0.874	73%	0.73	S	S	*	*			trans	-142.3	74.3	168.7	-84.2	-167.1	172.3	-176.9	0	112
658	I	40.8	Very low	46.1	Very low	246 Å²	246	143.5 Å²	143.5	100%	1.262	74%	0.739	S	S	*	*			trans	-134.4	0	145.1	-64.5	-175.5	0	0	0	105

Retrieved 658 of 658 residues in 335.6 ms (Link to these results)

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