A0A061ILA4_CRIGR Loading...

Methylenetetrahydrofolate reductase

Catalyzes the conversion of 5,10-methylenetetrahydrofolate to 5-methyltetrahydrofolate, a cosubstrate for homocysteine remethylation to methionine. Represents a key regulatory connection between the folate and methionine cycles.

AlphaFold DB , UniProt , Accession A0A061ILA4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mthfr, Length 689 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	30.1	Very low	241 Å²	241	161 Å²	161	100%	1.187	87%	0.869	S	S	*	*				0	118.2	0	-90.1	175.3	173.4	0	0	107.8
2	N	31.6	Very low	29.6	Very low	163 Å²	163	154 Å²	154	87%	0.872	86%	0.863	S	S	*	*			trans	56.5	104	161.6	-68.3	1.4	0	0	0	121.5
3	H	30.1	Very low	29.4	Very low	175 Å²	175	156.5 Å²	156.5	81%	0.81	86%	0.863	S	S	*	*			trans	-36.1	151.1	141.9	-69.5	-78.6	0	0	0	115.3
4	Q	29.1	Very low	29.2	Very low	202 Å²	202	162.8 Å²	162.8	94%	0.944	87%	0.867	S	S	*	*			trans	-137.6	118.7	138.5	-111.2	178.7	-7.6	0	0	110.8
5	E	30.5	Very low	29	Very low	178 Å²	178	166.5 Å²	166.5	83%	0.832	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-76.4	147	176.8	-67.6	168.7	136.2	0	0	111.6
6	A	26.8	Very low	29	Very low	100 Å²	100	164.1 Å²	164.1	83%	0.826	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-79.8	131.2	168.3	0	0	0	0	0	110.7
7	K	27.6	Very low	28.7	Very low	215 Å²	215	160 Å²	160	94%	0.935	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-86.2	146.8	178.1	-112.2	177	178.7	177.6	0	111.8
8	V	29	Very low	28.5	Very low	118 Å²	118	160.3 Å²	160.3	72%	0.715	85%	0.853	S	S	*	*			trans	-110.9	137.3	-173.1	164.3	0	0	0	0	110.6
9	L	28.8	Very low	28.2	Very low	157 Å²	157	156 Å²	156	82%	0.822	85%	0.851	S	S	*	*			trans	70.7	160.6	155	-69.5	170.5	0	0	0	120.1
10	P	35.7	Very low	27.9	Very low	121 Å²	121	156.7 Å²	156.7	79%	0.786	85%	0.85	S	S	*	*			cis	-141.8	-177.9	21.8	39.1	-16.6	0	0	0	118.8
11	A	28	Very low	27.6	Very low	101 Å²	101	161.7 Å²	161.7	84%	0.835	86%	0.857	S	S	*	*			trans	-64.2	161.6	-179.8	0	0	0	0	0	117.2
12	G	24.8	Very low	27.1	Very low	77 Å²	77	154.7 Å²	154.7	79%	0.794	84%	0.837	S	S	*	*			trans	-179.7	116.3	165.7	0	0	0	0	0	115.9
13	H	26.8	Very low	26.7	Very low	187 Å²	187	152.9 Å²	152.9	87%	0.866	84%	0.837	S	S	*	*			trans	-45.6	157	177.9	-62.4	-66.3	0	0	0	119.5
14	R	26	Very low	26.4	Very low	244 Å²	244	153.7 Å²	153.7	92%	0.921	84%	0.842	S	S	*	*				179.4	130.7	106.9	-95.2	175.7	-165.2	-151.9	4.3	114.1
15	Y	26.6	Very low	26.1	Very low	219 Å²	219	149.2 Å²	149.2	86%	0.859	84%	0.839	S	S	*	*			trans	-68.8	164.1	157.8	-87.9	-94.4	0	0	0	111.2
16	P	29.1	Very low	25.8	Very low	128 Å²	128	144.3 Å²	144.3	83%	0.831	84%	0.836	S	S	*	*				-138.3	157.1	108.7	36	-22.7	0	0	0	114.5
17	S	24.4	Very low	25.6	Very low	94 Å²	94	145.2 Å²	145.2	66%	0.657	84%	0.835	S	S	*	*			trans	-106.4	165.9	177	51.1	0	0	0	0	112.2
18	L	24.8	Very low	25.4	Very low	166 Å²	166	141.2 Å²	141.2	87%	0.869	83%	0.828	S	S	*	*			trans	88.3	123.2	151.4	-77.1	148.3	0	0	0	120.7
19	G	21.7	Very low	25.2	Very low	78 Å²	78	146.7 Å²	146.7	80%	0.804	84%	0.836	S	S	*	*			trans	-178.1	78.8	160.7	0	0	0	0	0	112
20	M	22.3	Very low	25	Very low	170 Å²	170	147 Å²	147	84%	0.837	84%	0.838	S	S	*	*			trans	-57.2	148.7	160.3	-80	164.5	53.9	0	0	110
21	W	22.5	Very low	24.4	Very low	262 Å²	262	146.6 Å²	146.6	99%	0.992	84%	0.838	S	S	*	*			trans	-161.1	131.5	133.7	-101.2	24.7	0	0	0	110
22	A	22.8	Very low	24.5	Very low	94 Å²	94	148.4 Å²	148.4	78%	0.777	84%	0.839	S	S	*	*			trans	-92.3	148.5	174.5	0	0	0	0	0	110.3
23	S	24	Very low	24.7	Very low	125 Å²	125	150 Å²	150	87%	0.874	84%	0.835	S	S	*	*			trans	-157.3	147.1	149.9	-94.2	0	0	0	0	111.8
24	E	22.6	Very low	24.8	Very low	192 Å²	192	146.9 Å²	146.9	90%	0.897	83%	0.831	S	S	*	*			trans	-84.8	-178.8	-162.9	-63.7	169	127.7	0	0	114.8
25	A	24.2	Very low	24.8	Very low	108 Å²	108	140.9 Å²	140.9	89%	0.893	83%	0.827	S	S	*	*			trans	90.5	129.3	161.1	0	0	0	0	0	115.9
26	G	23.3	Very low	24.8	Very low	75 Å²	75	138.4 Å²	138.4	77%	0.773	83%	0.826	S	S	*	*			cis	-169.6	149.6	5.8	0	0	0	0	0	110.9
27	C	22.3	Very low	24.5	Very low	119 Å²	119	136.7 Å²	136.7	80%	0.804	82%	0.818	S	S	*	*			trans	-79.8	128.2	179.2	-173.2	0	0	0	0	110.3
28	V	23.9	Very low	24.6	Very low	130 Å²	130	143.6 Å²	143.6	79%	0.788	83%	0.829	S	S	*	*			trans	-122.1	110.6	163.8	179.2	0	0	0	0	108.4
29	R	24.6	Very low	24.7	Very low	233 Å²	233	142.9 Å²	142.9	88%	0.879	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-73.7	127.9	169.4	-73.3	177.4	172.7	-176.5	-3	108.9
30	L	24.4	Very low	25.3	Very low	163 Å²	163	144.5 Å²	144.5	85%	0.853	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-102.8	127.2	163	-84.8	161.9	0	0	0	109.6
31	S	23.7	Very low	25.5	Very low	114 Å²	114	142.5 Å²	142.5	80%	0.797	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-77.6	136.5	-176.8	29.3	0	0	0	0	112.1
32	V	30.5	Very low	25.6	Very low	139 Å²	139	138.1 Å²	138.1	84%	0.842	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-99.4	131.8	168.6	-179.3	0	0	0	0	108.5
33	P	28.9	Very low	25.9	Very low	111 Å²	111	139.9 Å²	139.9	72%	0.721	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-85.9	164.8	176.3	33.7	-31.2	0	0	0	112.6
34	P	29.3	Very low	26	Very low	121 Å²	121	141.5 Å²	141.5	79%	0.786	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-89.9	161.3	-154.6	35.4	-34.5	0	0	0	115.2
35	S	25.2	Very low	26.1	Very low	118 Å²	118	141.2 Å²	141.2	83%	0.825	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-56.4	143.2	174	41.1	0	0	0	0	114.8
36	I	25.4	Very low	26.3	Very low	166 Å²	166	139.7 Å²	139.7	85%	0.851	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-95.2	118.5	160.9	-68.9	176.9	0	0	0	108.7
37	S	24.3	Very low	26.5	Very low	93 Å²	93	142.2 Å²	142.2	65%	0.65	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-68.7	137.3	169.3	151.7	0	0	0	0	111.7
38	R	25.6	Very low	26.7	Very low	239 Å²	239	140.3 Å²	140.3	90%	0.902	81%	0.812	S	S	*	*			trans	-137.4	118	145.2	-80.5	-167.9	175.9	-176.7	-1	109.4
39	N	26.3	Very low	26.9	Very low	151 Å²	151	140.2 Å²	140.2	81%	0.807	82%	0.818	S	S	*	*			trans	-75.2	162.6	174.8	-103	-10.9	0	0	0	112.5
40	P	35	Very low	27	Very low	111 Å²	111	132.9 Å²	132.9	72%	0.721	81%	0.814	S	S	*	*			trans	-98.5	160.4	-169.9	38.8	-32.3	0	0	0	112.7
41	T	25.8	Very low	27.1	Very low	129 Å²	129	131.3 Å²	131.3	79%	0.791	82%	0.817	S	S	*	*			trans	-149.2	137.6	164.2	37.3	0	0	0	0	112.9
42	M	26.3	Very low	27.3	Very low	170 Å²	170	129.5 Å²	129.5	84%	0.837	82%	0.817	S	S	*	*			trans	92	93.6	157.2	-50.7	-130.5	-167.6	0	0	115.8
43	V	27.5	Very low	27.2	Very low	130 Å²	130	129.1 Å²	129.1	79%	0.788	82%	0.82	S	S	*	*				71.8	105.6	77.2	-178.3	0	0	0	0	111.4
44	N	26.4	Very low	27.1	Very low	160 Å²	160	127.1 Å²	127.1	86%	0.856	82%	0.82	S	S	*	*				-155.4	134.7	121.8	-144.1	3.5	0	0	0	111.9
45	E	26	Very low	27	Very low	185 Å²	185	127.6 Å²	127.6	86%	0.864	83%	0.826	S	S	*	*			trans	-79.5	152.8	-178.4	-65.3	179.1	142.4	0	0	111.8
46	G	26.8	Very low	27	Very low	77 Å²	77	125.7 Å²	125.7	79%	0.794	83%	0.825	S	S	*	*			trans	-164.7	85.8	172.1	0	0	0	0	0	110.1
47	S	27.5	Very low	27	Very low	128 Å²	128	123.6 Å²	123.6	90%	0.895	83%	0.825	S	S	*	*			trans	-49.3	139.9	-180	51.6	0	0	0	0	116.3
48	G	27.7	Very low	27.2	Very low	78 Å²	78	128.3 Å²	128.3	80%	0.804	84%	0.837	S	S	*	*			trans	-173.2	87.7	164.8	0	0	0	0	0	112.1
49	S	27.3	Very low	27.2	Very low	129 Å²	129	122.7 Å²	122.7	90%	0.902	83%	0.834	S	S	*	*			trans	-71.7	133.3	178.8	51.3	0	0	0	0	113.1
50	G	28.1	Very low	27.2	Very low	79 Å²	79	119.9 Å²	119.9	81%	0.814	83%	0.826	S	S	*	*			trans	-163.6	94.6	166.8	0	0	0	0	0	110.9
51	S	26.6	Very low	26.9	Very low	129 Å²	129	124.2 Å²	124.2	90%	0.902	83%	0.834	S	S	*	*			trans	-72.3	137.8	-178.7	46.3	0	0	0	0	113.8
52	G	27.7	Very low	26.8	Very low	77 Å²	77	124.5 Å²	124.5	79%	0.794	83%	0.83	S	S	*	*			trans	-173.5	108	166.2	0	0	0	0	0	112
53	S	27.8	Very low	27	Very low	131 Å²	131	121 Å²	121	92%	0.916	82%	0.822	S	S	*	*			trans	-76.7	154.1	-164.2	-42.4	0	0	0	0	116.3
54	G	26.8	Very low	27	Very low	69 Å²	69	120 Å²	120	71%	0.711	82%	0.821	S	S	*	*			trans	126.2	86.8	137.1	0	0	0	0	0	119.9
55	S	26.8	Very low	27.1	Very low	130 Å²	130	121 Å²	121	91%	0.909	81%	0.813	S	S	*	*			trans	50.9	126.3	137.2	63.1	0	0	0	0	122.6
56	G	26.2	Very low	27.2	Very low	79 Å²	79	117.9 Å²	117.9	81%	0.814	81%	0.81	S	S	*	*			trans	154.1	87.6	152.5	0	0	0	0	0	113.6
57	S	25.6	Very low	27.5	Very low	121 Å²	121	119.6 Å²	119.6	85%	0.846	81%	0.81	S	S	*	*			trans	-73.7	122.8	177.1	51.6	0	0	0	0	112.4
58	E	26.9	Very low	28	Very low	193 Å²	193	115.1 Å²	115.1	90%	0.902	78%	0.777	S	S	*	*			trans	-143.1	128	148.2	-102.3	177.5	-174.7	0	0	108.8	S60	E58-S60 PolarHBondContact O-N 3.39Å
59	S	26.9	Very low	28.5	Very low	120 Å²	120	115.4 Å²	115.4	84%	0.839	77%	0.765	S	S	*	*			trans	-71.3	114.4	-169.4	52.9	0	0	0	0	112.1	K61	S59-K61 PolarHBondContact O-N 3.27Å
60	S	26.1	Very low	29.4	Very low	92 Å²	92	112.1 Å²	112.1	64%	0.643	74%	0.742	S	S	*	*			trans	-74.5	117.3	167.1	58.1	0	0	0	0	110.3	E58 D62	E58-S60 PolarHBondContact O-N 3.39Å; S60-D62 WeakPolarHBondContact CB-OD2 3.4Å; S60-D62 PolarHBondContact O-N 3.01Å; S60-D62 PolarHBondContact OG-OD2 3.27Å
61	K	28.2	Very low	30.5	Very low	203 Å²	203	109.7 Å²	109.7	88%	0.883	71%	0.71	S	S	*	*			trans	-80.9	80.2	153.8	-81.8	-177.9	176.1	177.5	0	106.8	S59 S63	S59-K61 PolarHBondContact O-N 3.27Å; K61-S63 VanDerWaalsContact C-N 3.27Å; K61-S63 PolarHBondContact O-N 2.98Å
62	D	24.7	Very low	31.8	Very low	135 Å²	135	106.6 Å²	106.6	72%	0.722	68%	0.684	S	S	*	*			trans	-74.4	85.3	169	-75.2	-46.1	0	0	0	109.1	S60 S64	S60-D62 WeakPolarHBondContact CB-OD2 3.4Å; S60-D62 PolarHBondContact O-N 3.01Å; S60-D62 PolarHBondContact OG-OD2 3.27Å; D62-S64 VanDerWaalsContact C-N 3.33Å; D62-S64 PolarHBondContact O-N 2.7Å
63	S	28.7	Very low	32.9	Very low	96 Å²	96	106.7 Å²	106.7	67%	0.671	67%	0.67	S	S	*	*			trans	-74.4	97.4	149.1	60	0	0	0	0	106.3	K61 R65	K61-S63 VanDerWaalsContact C-N 3.27Å; K61-S63 PolarHBondContact O-N 2.98Å; S63-R65 PolarHBondContact O-N 2.95Å
64	S	28	Very low	34.3	Very low	109 Å²	109	104.2 Å²	104.2	76%	0.762	64%	0.644	S	S	*	*			trans	-62.1	85	171.2	58.8	0	0	0	0	109.5	D62 C66	D62-S64 VanDerWaalsContact C-N 3.33Å; D62-S64 PolarHBondContact O-N 2.7Å; S64-C66 PolarHBondContact O-N 3.4Å
65	R	29.9	Very low	36	Very low	181 Å²	181	102.5 Å²	102.5	68%	0.683	62%	0.616	S	S	*	*			trans	-68.6	107.8	158.9	-73.4	-177.7	175.3	-174.2	-3.9	105.1	S63 S67 E417	S63-R65 PolarHBondContact O-N 2.95Å; R65-S67 PolarHBondContact O-N 3.31Å; R65-E417 IonicContact CZ-OE2 3.71Å; R65-E417 IonicContact NH1-OE1 3.87Å; R65-E417 IonicContact NH1-OE2 2.82Å; R65-E417 PolarHBondContact NH1-OE2 2.96Å; R65-E417 IonicContact NH2-OE2 3.46Å
66	C	27.4	Very low	37.8	Very low	119 Å²	119	98.9 Å²	98.9	80%	0.804	59%	0.585	S	S	*	*			trans	-60.2	107	167.6	-76.2	0	0	0	0	107.5	S64 T68	S64-C66 PolarHBondContact O-N 3.4Å; C66-T68 PolarHBondContact O-N 3.32Å
67	S	31.8	Very low	40.7	Very low	113 Å²	113	97.1 Å²	97.1	79%	0.79	56%	0.556	S	S	*	*			trans	-70.3	106.9	172.1	-53.3	0	0	0	0	108.3	R65	R65-S67 PolarHBondContact O-N 3.31Å
68	T	39.5	Very low	43.9	Very low	34 Å²	34	93.4 Å²	93.4	21%	0.209	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-53.9	133.3	170.3	-33	0	0	0	0	109	C66 S70 N420	C66-T68 PolarHBondContact O-N 3.32Å; T68-S70 PolarHBondContact O-N 3.41Å; T68-N420 PolarHBondContact OG1-OD1 3.28Å
69	P	37.7	Very low	47.2	Very low	85 Å²	85	84.2 Å²	84.2	55%	0.552	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-56.5	133.7	172.2	-21.6	31.3	0	0	0	110.8	L71	P69-L71 PolarHBondContact O-N 3.42Å
70	S	45.8	Very low	50.4	Low	60 Å²	60	81.1 Å²	81.1	42%	0.42	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-54.7	120.3	-178.1	58.4	0	0	0	0	111.1	T68 D72	T68-S70 PolarHBondContact O-N 3.41Å; S70-D72 PolarHBondContact O-N 2.94Å
71	L	50.5	Low	53.7	Low	28 Å²	28	80 Å²	80	15%	0.147	43%	0.434	C	S	.	.	S	Bend	trans	-69.2	-16.2	-170.9	-74.8	164.2	0	0	0	114	P69 Y395 R601 I604	P69-L71 PolarHBondContact O-N 3.42Å; L71-Y395 HydrophobicContact CB-CE1 3.64Å; L71-Y395 HydrophobicContact CD1-CD1 3.27Å; L71-Y395 HydrophobicContact CD1-CD2 4.01Å; L71-Y395 HydrophobicContact CD1-CE1 3.25Å; L71-Y395 HydrophobicContact CD1-CE2 4.01Å; L71-Y395 HydrophobicContact CD1-CG 3.67Å; L71-Y395 HydrophobicContact CG-CD1 4.44Å; L71-Y395 HydrophobicContact CG-CE1 3.99Å; L71-R601 PolarHBondContact O-NH1 3.42Å; L71-I604 HydrophobicContact CD1-CD1 3.93Å; L71-I604 HydrophobicContact CD1-CG1 4.13Å; L71-I604 HydrophobicContact CD1-CG2 4.37Å; L71-I604 HydrophobicContact CD2-CD1 3.4Å; L71-I604 HydrophobicContact CD2-CG1 3.84Å; L71-I604 HydrophobicContact CG-CD1 4.28Å
72	D	54.6	Low	56.9	Low	64 Å²	64	71.9 Å²	71.9	34%	0.342	40%	0.399	S	S	.	.			trans	-150.9	103.2	173.7	-176.2	6.5	0	0	0	109.7	S70 E74 R75 H76	S70-D72 PolarHBondContact O-N 2.94Å; D72-E74 PolarHBondContact O-N 3.31Å; D72-E74 VanDerWaalsContact O-N 3.16Å; D72-E74 WeakPolarHBondContact OD1-CB 3.39Å; D72-E74 WeakPolarHBondContact OD1-CG 3.33Å; D72-E74 PolarHBondContact OD1-N 2.78Å; D72-R75 HydrophobicContact CB-CB 3.97Å; D72-R75 VanDerWaalsContact O-CB 3.3Å; D72-R75 WeakPolarHBondContact O-CB 3.17Å; D72-R75 PolarHBondContact O-N 2.71Å; D72-H76 PolarHBondContact O-CD2 3.32Å
73	P	51.7	Low	60.2	Low	78 Å²	78	65.5 Å²	65.5	51%	0.506	37%	0.365	S	S	.	.	H	α-helix	trans	-57.7	-27.1	175.2	21.7	-29.2	0	0	0	111.6	R75 H76	P73-R75 PolarHBondContact O-N 3.29Å; P73-H76 PolarHBondContact O-N 3.13Å
74	E	57.3	Low	63.4	Low	80 Å²	80	68 Å²	68	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-64.4	-25.5	176.2	-44.4	-156.3	147.3	0	0	112.8	D72 H76 K82 R85	D72-E74 PolarHBondContact O-N 3.31Å; D72-E74 VanDerWaalsContact O-N 3.16Å; D72-E74 WeakPolarHBondContact OD1-CB 3.39Å; D72-E74 WeakPolarHBondContact OD1-CG 3.33Å; D72-E74 PolarHBondContact OD1-N 2.78Å; E74-H76 VanDerWaalsContact C-N 3.31Å; E74-H76 PolarHBondContact O-N 2.71Å; E74-K82 WeakPolarHBondContact O-CE 3.17Å; E74-R85 VanDerWaalsContact CG-CZ 3.44Å; E74-R85 VanDerWaalsContact CG-NH1 3.32Å; E74-R85 VanDerWaalsContact CG-NH2 3.25Å; E74-R85 IonicContact OE1-CZ 3.86Å; E74-R85 IonicContact OE1-NE 2.97Å; E74-R85 PolarHBondContact OE1-NE 2.94Å; E74-R85 IonicContact OE1-NH1 3.46Å; E74-R85 IonicContact OE1-NH2 2.87Å; E74-R85 PolarHBondContact OE1-NH2 2.95Å; E74-R85 IonicContact OE2-CZ 3.01Å; E74-R85 IonicContact OE2-NH2 3.51Å; E74-R85 PolarHBondContact OE2-NH2 3.26Å; E74-R85 VanDerWaalsContact OE2-NH2 3.07Å
75	R	61.8	Low	66.5	Low	33 Å²	33	65.8 Å²	65.8	13%	0.125	34%	0.335	C	S	.	.	H	α-helix	trans	-74.2	-22.3	-178.2	-165.2	174.4	175.9	-165.4	-5.3	112.6	D72 P73 V385 R391 R392 E394 Y395	D72-R75 HydrophobicContact CB-CB 3.97Å; D72-R75 VanDerWaalsContact O-CB 3.3Å; D72-R75 WeakPolarHBondContact O-CB 3.17Å; D72-R75 PolarHBondContact O-N 2.71Å; P73-R75 PolarHBondContact O-N 3.29Å; R75-V385 VanDerWaalsContact NE-CG1 3.33Å; R75-R391 PolarHBondContact NH2-O 3.21Å; R75-R392 PolarHBondContact NE-O 3.33Å; R75-R392 PolarHBondContact NH1-O 3.42Å; R75-R392 PolarHBondContact NH2-O 2.93Å; R75-E394 PolarHBondContact NH1-O 2.91Å; R75-E394 PolarHBondContact NH2-O 3.12Å; R75-Y395 PolarHBondContact NH1-OH 2.96Å
76	H	65.4	Low	69.6	Low	53 Å²	53	60 Å²	60	25%	0.245	31%	0.313	C	S	.	.	H	α-helix	trans	-92	-16.9	179.6	-63.1	-76.1	0	0	0	113.5	D72 P73 E74 R392 E393	D72-H76 PolarHBondContact O-CD2 3.32Å; P73-H76 PolarHBondContact O-N 3.13Å; E74-H76 VanDerWaalsContact C-N 3.31Å; E74-H76 PolarHBondContact O-N 2.71Å; H76-R392 PolarHBondContact O-NH1 3.39Å; H76-E393 IonicContact CE1-OE1 3.84Å; H76-E393 PolarHBondContact CE1-OE1 3.36Å; H76-E393 IonicContact ND1-OE1 3.58Å; H76-E393 IonicContact NE2-OE1 3.3Å
77	E	85.3	Confident	72.7	Confident	43 Å²	43	58.2 Å²	58.2	20%	0.201	29%	0.294	C	S	.	.	S	Bend	trans	-75.6	151.7	-173.8	-73.3	176.9	-160.7	0	0	113.6	E81 K82 R85 K185	E77-E81 WeakPolarHBondContact CA-OE2 3.4Å; E77-E81 HydrophobicContact CB-CB 4.04Å; E77-E81 HydrophobicContact CG-CB 4.27Å; E77-K82 HydrophobicContact CB-CG 4Å; E77-R85 IonicContact OE1-NH1 3.55Å; E77-R85 PolarHBondContact OE1-NH1 3.49Å; E77-R85 IonicContact OE2-CZ 3.93Å; E77-R85 IonicContact OE2-NH1 3.35Å; E77-R85 PolarHBondContact OE2-NH1 3.15Å; E77-K185 PolarHBondContact O-NZ 2.85Å
78	R	93.3	Very high	75.7	Confident	42 Å²	42	59 Å²	59	16%	0.158	29%	0.289	C	S	.	.			trans	-76.4	160.5	171	-65.7	178.5	67.1	170.7	-2.7	110.5	R80 E81 K82 D222 F224 D225	R78-R80 VanDerWaalsContact C-N 3.28Å; R78-R80 HydrophobicContact CB-CG 4.33Å; R78-R80 PolarHBondContact O-N 3.46Å; R78-E81 HydrophobicContact CB-CG 4.44Å; R78-E81 PolarHBondContact N-OE2 3.3Å; R78-E81 WeakPolarHBondContact O-CB 3.43Å; R78-E81 PolarHBondContact O-N 3.45Å; R78-E81 VanDerWaalsContact O-N 3.09Å; R78-K82 WeakPolarHBondContact O-CG 3.41Å; R78-K82 PolarHBondContact O-N 3.33Å; R78-D222 IonicContact CZ-OD1 3.24Å; R78-D222 IonicContact CZ-OD2 3.17Å; R78-D222 PolarHBondContact NH1-O 3.1Å; R78-D222 IonicContact NH1-OD1 2.94Å; R78-D222 PolarHBondContact NH1-OD1 2.92Å; R78-D222 IonicContact NH1-OD2 3.08Å; R78-D222 PolarHBondContact NH1-OD2 3.43Å; R78-D222 PolarHBondContact NH2-O 3.06Å; R78-D222 IonicContact NH2-OD1 3.88Å; R78-D222 PolarHBondContact NH2-OD1 3.36Å; R78-D222 IonicContact NH2-OD2 3.47Å; R78-F224 PolarHBondContact NH2-O 2.94Å; R78-D225 WeakPolarHBondContact CB-OD2 3.41Å; R78-D225 IonicContact CZ-OD1 3.92Å; R78-D225 IonicContact NE-OD1 3.66Å; R78-D225 PolarHBondContact NE-OD1 3.4Å; R78-D225 IonicContact NH2-OD1 2.78Å; R78-D225 PolarHBondContact NH2-OD1 3.29Å
79	L	95.8	Very high	78.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.6	-42.4	-177.2	175.8	58.1	0	0	0	110.9	E81 K82 M83 L123 F124 E157 V159 N186 D225 F258	L79-E81 VanDerWaalsContact C-N 3.26Å; L79-E81 PolarHBondContact O-N 3.1Å; L79-K82 PolarHBondContact O-N 3.01Å; L79-M83 HydrophobicContact CD1-CE 3.89Å; L79-M83 HydrophobicContact CD1-CG 4.34Å; L79-M83 HydrophobicContact CD2-CE 4.05Å; L79-M83 HydrophobicContact CG-CE 3.82Å; L79-M83 HydrophobicContact CG-SD 4.45Å; L79-M83 WeakPolarHBondContact O-CG 3.47Å; L79-M83 PolarHBondContact O-N 2.97Å; L79-L123 HydrophobicContact CD1-CD2 4.37Å; L79-L123 HydrophobicContact CD1-CG 4.14Å; L79-F124 HydrophobicContact CD1-CB 4.14Å; L79-F124 HydrophobicContact CD1-CD1 3.88Å; L79-F124 HydrophobicContact CD1-CG 4.28Å; L79-F124 HydrophobicContact CD2-CB 4.35Å; L79-F124 HydrophobicContact CD2-CD1 4.24Å; L79-F124 HydrophobicContact CD2-CG 4.19Å; L79-E157 HydrophobicContact CD1-CG 4.08Å; L79-V159 HydrophobicContact CD2-CG2 4.02Å; L79-N186 VanDerWaalsContact CB-OD1 3.29Å; L79-N186 WeakPolarHBondContact CB-OD1 3.29Å; L79-N186 HydrophobicContact CD2-CB 4.2Å; L79-D225 WeakPolarHBondContact CA-OD2 3.33Å; L79-D225 WeakPolarHBondContact CB-OD2 3.41Å; L79-D225 PolarHBondContact N-OD2 3.43Å; L79-F258 HydrophobicContact CD2-CE1 4.03Å; L79-F258 HydrophobicContact CD2-CZ 4.01Å
80	R	95.3	Very high	81	Confident	56 Å²	56	58.3 Å²	58.3	21%	0.211	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-30.6	176.8	71.2	-175.1	-173	-165.3	-5.3	114	R78 R84 D222 D225 D257	R78-R80 VanDerWaalsContact C-N 3.28Å; R78-R80 HydrophobicContact CB-CG 4.33Å; R78-R80 PolarHBondContact O-N 3.46Å; R80-R84 WeakPolarHBondContact O-CB 3.48Å; R80-R84 PolarHBondContact O-N 2.78Å; R80-R84 VanDerWaalsContact O-N 3.08Å; R80-D222 IonicContact CZ-OD1 3.34Å; R80-D222 IonicContact CZ-OD2 2.7Å; R80-D222 IonicContact NH1-OD1 2.73Å; R80-D222 PolarHBondContact NH1-OD1 3.42Å; R80-D222 IonicContact NH1-OD2 3.68Å; R80-D222 IonicContact NH2-OD1 2.63Å; R80-D222 PolarHBondContact NH2-OD1 2.89Å; R80-D222 IonicContact NH2-OD2 3.74Å; R80-D222 PolarHBondContact NH2-OD2 3.29Å; R80-D225 PolarHBondContact N-OD2 3.15Å; R80-D225 IonicContact NE-OD1 3.6Å; R80-D257 HydrophobicContact CB-CB 4.25Å; R80-D257 WeakPolarHBondContact CD-OD1 3.42Å; R80-D257 IonicContact CZ-OD1 3.74Å; R80-D257 IonicContact NE-OD1 2.71Å; R80-D257 IonicContact NH1-OD1 2.68Å; R80-D257 PolarHBondContact NH1-OD1 3.14Å
81	E	95.3	Very high	83.2	Confident	68 Å²	68	60 Å²	60	32%	0.318	30%	0.298	S	S	.	.	H	α-helix	trans	-75.6	-44.7	177.1	-71.7	158.7	-173.1	0	0	110.5	E77 R78 L79 M83 R84 R85	E77-E81 WeakPolarHBondContact CA-OE2 3.4Å; E77-E81 HydrophobicContact CB-CB 4.04Å; E77-E81 HydrophobicContact CG-CB 4.27Å; R78-E81 HydrophobicContact CB-CG 4.44Å; R78-E81 PolarHBondContact N-OE2 3.3Å; R78-E81 WeakPolarHBondContact O-CB 3.43Å; R78-E81 PolarHBondContact O-N 3.45Å; R78-E81 VanDerWaalsContact O-N 3.09Å; L79-E81 VanDerWaalsContact C-N 3.26Å; L79-E81 PolarHBondContact O-N 3.1Å; E81-M83 VanDerWaalsContact C-N 3.3Å; E81-M83 PolarHBondContact O-N 3.02Å; E81-R84 PolarHBondContact O-N 2.85Å; E81-R85 WeakPolarHBondContact O-CB 3.49Å; E81-R85 PolarHBondContact O-N 3.31Å
82	K	94.4	Very high	85.4	Confident	32 Å²	32	63 Å²	63	14%	0.139	31%	0.31	C	S	.	.	H	α-helix	trans	-57.4	-43.7	172.7	-65.3	175.3	178.1	-177	0	111.6	E74 E77 R78 L79 R86 L123 E157	E74-K82 WeakPolarHBondContact O-CE 3.17Å; E77-K82 HydrophobicContact CB-CG 4Å; R78-K82 WeakPolarHBondContact O-CG 3.41Å; R78-K82 PolarHBondContact O-N 3.33Å; L79-K82 PolarHBondContact O-N 3.01Å; K82-R86 WeakPolarHBondContact O-CG 3.41Å; K82-R86 PolarHBondContact O-N 3.35Å; K82-R86 VanDerWaalsContact O-N 3.12Å; K82-L123 HydrophobicContact CB-CD1 4.09Å; K82-L123 HydrophobicContact CD-CD1 4.49Å; K82-E157 IonicContact NZ-OE2 2.8Å; K82-E157 PolarHBondContact NZ-OE2 3.24Å
83	M	95.3	Very high	87.4	Confident	2 Å²	2	60 Å²	60	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-59.8	-52.2	175.4	-74	-178.5	175.5	0	0	111.2	L79 E81 R85 R86 M87 W93 L123 F124 F258 L287	L79-M83 HydrophobicContact CD1-CE 3.89Å; L79-M83 HydrophobicContact CD1-CG 4.34Å; L79-M83 HydrophobicContact CD2-CE 4.05Å; L79-M83 HydrophobicContact CG-CE 3.82Å; L79-M83 HydrophobicContact CG-SD 4.45Å; L79-M83 WeakPolarHBondContact O-CG 3.47Å; L79-M83 PolarHBondContact O-N 2.97Å; E81-M83 VanDerWaalsContact C-N 3.3Å; E81-M83 PolarHBondContact O-N 3.02Å; M83-R85 PolarHBondContact O-N 3.01Å; M83-R86 PolarHBondContact O-N 3.41Å; M83-M87 WeakPolarHBondContact O-CG 3.37Å; M83-M87 PolarHBondContact O-N 3.35Å; M83-W93 HydrophobicContact CB-CZ2 4.49Å; M83-W93 HydrophobicContact CE-CH2 3.77Å; M83-W93 HydrophobicContact CE-CZ2 4.32Å; M83-W93 HydrophobicContact CE-CZ3 4.49Å; M83-W93 HydrophobicContact CG-CH2 4.28Å; M83-W93 HydrophobicContact CG-CZ2 3.91Å; M83-W93 HydrophobicContact SD-CH2 4.31Å; M83-W93 HydrophobicContact SD-CZ2 4.33Å; M83-L123 HydrophobicContact CG-CD2 3.77Å; M83-F124 HydrophobicContact CE-CD1 3.85Å; M83-F124 HydrophobicContact CE-CE1 3.33Å; M83-F124 HydrophobicContact CE-CZ 4.1Å; M83-F258 HydrophobicContact CE-CD1 4.07Å; M83-F258 HydrophobicContact CE-CD2 4.03Å; M83-F258 HydrophobicContact CE-CE1 3.77Å; M83-F258 HydrophobicContact CE-CE2 3.73Å; M83-F258 HydrophobicContact CE-CG 4.19Å; M83-F258 HydrophobicContact CE-CZ 3.58Å; M83-F258 HydrophobicContact SD-CB 4.45Å; M83-F258 HydrophobicContact SD-CD1 3.89Å; M83-F258 HydrophobicContact SD-CD2 4.37Å; M83-F258 HydrophobicContact SD-CE1 4.14Å; M83-F258 HydrophobicContact SD-CG 4.01Å; M83-F258 HydrophobicContact SD-CZ 4.48Å; M83-L287 HydrophobicContact CE-CD1 4.23Å
84	R	94.8	Very high	89.7	Confident	148 Å²	148	56.5 Å²	56.5	56%	0.558	27%	0.271	S	S	*	.	H	α-helix	trans	-58.8	-45.6	179.6	-172.3	-174.9	-60.4	145.6	2.9	111.8	R80 E81 R86 M87 D88	R80-R84 WeakPolarHBondContact O-CB 3.48Å; R80-R84 PolarHBondContact O-N 2.78Å; R80-R84 VanDerWaalsContact O-N 3.08Å; E81-R84 PolarHBondContact O-N 2.85Å; R84-R86 PolarHBondContact O-N 2.91Å; R84-M87 WeakPolarHBondContact O-CB 3.46Å; R84-M87 PolarHBondContact O-N 2.97Å; R84-M87 VanDerWaalsContact O-N 3.14Å; R84-D88 VanDerWaalsContact O-CG 3.22Å; R84-D88 PolarHBondContact O-N 3.23Å
85	R	94	Very high	91.6	Very high	62 Å²	62	52.7 Å²	52.7	23%	0.234	25%	0.253	C	S	.	.	H	α-helix	trans	-58.3	-46.3	178.7	-174	-178.7	69	-132.3	-11.5	112	E74 E77 E81 M83 M87 D88 S89	E74-R85 VanDerWaalsContact CG-CZ 3.44Å; E74-R85 VanDerWaalsContact CG-NH1 3.32Å; E74-R85 VanDerWaalsContact CG-NH2 3.25Å; E74-R85 IonicContact OE1-CZ 3.86Å; E74-R85 IonicContact OE1-NE 2.97Å; E74-R85 PolarHBondContact OE1-NE 2.94Å; E74-R85 IonicContact OE1-NH1 3.46Å; E74-R85 IonicContact OE1-NH2 2.87Å; E74-R85 PolarHBondContact OE1-NH2 2.95Å; E74-R85 IonicContact OE2-CZ 3.01Å; E74-R85 IonicContact OE2-NH2 3.51Å; E74-R85 PolarHBondContact OE2-NH2 3.26Å; E74-R85 VanDerWaalsContact OE2-NH2 3.07Å; E77-R85 IonicContact OE1-NH1 3.55Å; E77-R85 PolarHBondContact OE1-NH1 3.49Å; E77-R85 IonicContact OE2-CZ 3.93Å; E77-R85 IonicContact OE2-NH1 3.35Å; E77-R85 PolarHBondContact OE2-NH1 3.15Å; E81-R85 WeakPolarHBondContact O-CB 3.49Å; E81-R85 PolarHBondContact O-N 3.31Å; M83-R85 PolarHBondContact O-N 3.01Å; R85-M87 VanDerWaalsContact C-N 3.32Å; R85-D88 PolarHBondContact O-N 2.82Å; R85-S89 PolarHBondContact O-N 3.3Å; R85-S89 PolarHBondContact O-OG 2.9Å
86	R	94.3	Very high	93.4	Very high	61 Å²	61	51.1 Å²	51.1	23%	0.23	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-35.1	177.4	-70.8	-169.3	-178.5	-167	2.1	112.3	K82 M83 R84 S89 G90 D91	K82-R86 WeakPolarHBondContact O-CG 3.41Å; K82-R86 PolarHBondContact O-N 3.35Å; K82-R86 VanDerWaalsContact O-N 3.12Å; M83-R86 PolarHBondContact O-N 3.41Å; R84-R86 PolarHBondContact O-N 2.91Å; R86-S89 WeakPolarHBondContact CA-OG 3.01Å; R86-S89 PolarHBondContact O-OG 3.28Å; R86-S89 VanDerWaalsContact O-OG 3.11Å; R86-G90 CarbonylContact O-C 3.31Å; R86-G90 PolarHBondContact O-N 2.89Å; R86-D91 HydrophobicContact CB-CB 4.18Å; R86-D91 HydrophobicContact CG-CB 4.33Å; R86-D91 PolarHBondContact O-N 2.99Å
87	M	93.8	Very high	94.9	Very high	81 Å²	81	50.2 Å²	50.2	40%	0.399	24%	0.243	S	C	.	.	H	α-helix	trans	-63.6	-44.9	172.9	-69.8	172.3	64.1	0	0	111.6	M83 R84 R85 G90 P285 P350	M83-M87 WeakPolarHBondContact O-CG 3.37Å; M83-M87 PolarHBondContact O-N 3.35Å; R84-M87 WeakPolarHBondContact O-CB 3.46Å; R84-M87 PolarHBondContact O-N 2.97Å; R84-M87 VanDerWaalsContact O-N 3.14Å; R85-M87 VanDerWaalsContact C-N 3.32Å; M87-G90 PolarHBondContact O-N 2.68Å; M87-P285 HydrophobicContact CE-CB 4.47Å; M87-P285 HydrophobicContact CE-CG 4.19Å; M87-P285 HydrophobicContact SD-CB 4.11Å; M87-P285 HydrophobicContact SD-CG 3.74Å; M87-P350 HydrophobicContact CE-CB 4.24Å; M87-P350 HydrophobicContact CG-CB 3.52Å; M87-P350 HydrophobicContact SD-CB 3.87Å; M87-P350 HydrophobicContact SD-CG 4.34Å
88	D	94.3	Very high	95.5	Very high	128 Å²	128	48.3 Å²	48.3	68%	0.684	23%	0.234	S	C	*	.	H	α-helix	trans	-67.7	-34.6	-179.9	-65.9	-18.9	0	0	0	112.2	R84 R85 G90	R84-D88 VanDerWaalsContact O-CG 3.22Å; R84-D88 PolarHBondContact O-N 3.23Å; R85-D88 PolarHBondContact O-N 2.82Å; D88-G90 VanDerWaalsContact C-N 3.32Å
89	S	93.8	Very high	95.6	Very high	67 Å²	67	50.6 Å²	50.6	47%	0.469	25%	0.245	S	C	.	.	H	α-helix	trans	-78.6	-15	174.1	65.6	0	0	0	0	113.8	R85 R86 D91	R85-S89 PolarHBondContact O-N 3.3Å; R85-S89 PolarHBondContact O-OG 2.9Å; R86-S89 WeakPolarHBondContact CA-OG 3.01Å; R86-S89 PolarHBondContact O-OG 3.28Å; R86-S89 VanDerWaalsContact O-OG 3.11Å; S89-D91 VanDerWaalsContact C-N 3.3Å; S89-D91 WeakPolarHBondContact CB-OD2 3.13Å; S89-D91 WeakPolarHBondContact OG-CB 3.49Å; S89-D91 PolarHBondContact OG-N 2.82Å; S89-D91 PolarHBondContact OG-OD2 2.8Å
90	G	93.6	Very high	95.5	Very high	39 Å²	39	51.9 Å²	51.9	40%	0.402	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	0.9	-174.5	0	0	0	0	0	114.5	R86 M87 D88 K92	R86-G90 CarbonylContact O-C 3.31Å; R86-G90 PolarHBondContact O-N 2.89Å; M87-G90 PolarHBondContact O-N 2.68Å; D88-G90 VanDerWaalsContact C-N 3.32Å; G90-K92 PolarHBondContact O-N 2.7Å; G90-K92 PolarHBondContact O-NZ 3.24Å
91	D	93.8	Very high	95.5	Very high	95 Å²	95	49.8 Å²	49.8	51%	0.508	25%	0.247	S	C	.	.			trans	-67.5	121.9	-179.9	-65.1	-36.2	0	0	0	111.4	R86 S89	R86-D91 HydrophobicContact CB-CB 4.18Å; R86-D91 HydrophobicContact CG-CB 4.33Å; R86-D91 PolarHBondContact O-N 2.99Å; S89-D91 VanDerWaalsContact C-N 3.3Å; S89-D91 WeakPolarHBondContact CB-OD2 3.13Å; S89-D91 WeakPolarHBondContact OG-CB 3.49Å; S89-D91 PolarHBondContact OG-N 2.82Å; S89-D91 PolarHBondContact OG-OD2 2.8Å
92	K	96.2	Very high	95.3	Very high	90 Å²	90	58.1 Å²	58.1	39%	0.391	28%	0.276	S	S	.	.			trans	-83.7	147.9	175	-57.3	-66	175.3	-78.8	0	110	G90 L344 V349 M372	G90-K92 PolarHBondContact O-N 2.7Å; G90-K92 PolarHBondContact O-NZ 3.24Å; K92-L344 HydrophobicContact CB-CD2 4.2Å; K92-L344 HydrophobicContact CD-CD2 3.91Å; K92-L344 HydrophobicContact CG-CD2 4.01Å; K92-V349 WeakPolarHBondContact CD-O 3.21Å; K92-V349 WeakPolarHBondContact CE-O 3.41Å; K92-M372 HydrophobicContact CB-CE 3.92Å
93	W	96.9	Very high	95.1	Very high	3 Å²	3	60.5 Å²	60.5	1%	0.011	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	169.9	-176	51.2	-96.5	0	0	0	111.9	M83 L123 F124 L287 P350 G351 L352 M372	M83-W93 HydrophobicContact CB-CZ2 4.49Å; M83-W93 HydrophobicContact CE-CH2 3.77Å; M83-W93 HydrophobicContact CE-CZ2 4.32Å; M83-W93 HydrophobicContact CE-CZ3 4.49Å; M83-W93 HydrophobicContact CG-CH2 4.28Å; M83-W93 HydrophobicContact CG-CZ2 3.91Å; M83-W93 HydrophobicContact SD-CH2 4.31Å; M83-W93 HydrophobicContact SD-CZ2 4.33Å; W93-L123 HydrophobicContact CB-CB 4.17Å; W93-L123 HydrophobicContact CB-CD2 4.44Å; W93-L123 HydrophobicContact CD2-CB 4.24Å; W93-L123 HydrophobicContact CD2-CD2 3.4Å; W93-L123 HydrophobicContact CD2-CG 4.45Å; W93-L123 HydrophobicContact CE3-CB 3.99Å; W93-L123 HydrophobicContact CE3-CD2 3.64Å; W93-L123 HydrophobicContact CE3-CG 4.44Å; W93-L123 HydrophobicContact CG-CB 4.34Å; W93-L123 HydrophobicContact CG-CD2 3.78Å; W93-L123 HydrophobicContact CH2-CD2 4.12Å; W93-L123 HydrophobicContact CZ2-CD2 4Å; W93-L123 HydrophobicContact CZ3-CD2 4.01Å; W93-F124 HydrophobicContact CE3-CE1 4.49Å; W93-F124 HydrophobicContact CH2-CE1 4Å; W93-F124 HydrophobicContact CZ3-CD1 4.38Å; W93-F124 AromaticContact CZ3-CE1 3.6Å; W93-F124 HydrophobicContact CZ3-CE1 3.6Å; W93-F124 HydrophobicContact CZ3-CZ 4.43Å; W93-L287 HydrophobicContact CH2-CD1 3.4Å; W93-L287 VanDerWaalsContact CH2-CD1 3.4Å; W93-L287 HydrophobicContact CH2-CD2 3.18Å; W93-L287 HydrophobicContact CH2-CG 3.9Å; W93-L287 HydrophobicContact CZ2-CD2 3.64Å; W93-L287 HydrophobicContact CZ3-CD1 3.88Å; W93-L287 HydrophobicContact CZ3-CD2 4.02Å; W93-P350 HydrophobicContact CZ2-CB 4.42Å; W93-P350 HydrophobicContact CZ2-CG 4.41Å; W93-P350 PolarHBondContact NE1-O 2.73Å; W93-G351 CarbonylContact O-C 3.51Å; W93-G351 WeakPolarHBondContact O-CA 3.41Å; W93-L352 PolarHBondContact O-N 2.79Å; W93-M372 VanDerWaalsContact C-CE 3.43Å; W93-M372 VanDerWaalsContact O-CE 3.22Å; W93-M372 WeakPolarHBondContact O-CE 3.49Å
94	F	98.4	Very high	94.6	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	159.7	177.9	71	-86.4	0	0	0	112.1	L96 G120 P122 L123 L352 F354 L367 M372 W373	F94-L96 HydrophobicContact CD2-CD2 3.94Å; F94-L96 HydrophobicContact CD2-CG 4.08Å; F94-L96 HydrophobicContact CE2-CD1 4.09Å; F94-L96 HydrophobicContact CE2-CD2 4.04Å; F94-L96 HydrophobicContact CE2-CG 4Å; F94-G120 WeakPolarHBondContact CE1-O 3.49Å; F94-P122 HydrophobicContact CD2-CB 4.11Å; F94-P122 HydrophobicContact CE2-CB 3.56Å; F94-P122 HydrophobicContact CE2-CG 4.4Å; F94-P122 HydrophobicContact CZ-CB 3.97Å; F94-L123 PolarHBondContact O-N 2.9Å; F94-L352 CarbonylContact C-O 3.47Å; F94-L352 WeakPolarHBondContact CA-O 3.35Å; F94-F354 HydrophobicContact CB-CD2 4.45Å; F94-F354 HydrophobicContact CB-CE2 4.34Å; F94-L367 HydrophobicContact CB-CD2 3.7Å; F94-L367 HydrophobicContact CD1-CD1 4.42Å; F94-L367 HydrophobicContact CD1-CD2 3.77Å; F94-L367 HydrophobicContact CD2-CD1 3.58Å; F94-L367 HydrophobicContact CD2-CD2 3.9Å; F94-L367 HydrophobicContact CD2-CG 4.41Å; F94-L367 HydrophobicContact CE1-CD1 4.37Å; F94-L367 HydrophobicContact CE1-CD2 4.38Å; F94-L367 HydrophobicContact CE2-CD1 3.5Å; F94-L367 VanDerWaalsContact CE2-CD1 3.5Å; F94-L367 HydrophobicContact CE2-CD2 4.47Å; F94-L367 HydrophobicContact CG-CD1 4.05Å; F94-L367 HydrophobicContact CG-CD2 3.5Å; F94-L367 HydrophobicContact CG-CG 4.45Å; F94-L367 HydrophobicContact CZ-CD1 3.92Å; F94-M372 HydrophobicContact CB-CE 4.36Å; F94-M372 HydrophobicContact CD1-CB 4.42Å; F94-M372 WeakPolarHBondContact CE1-O 3.44Å; F94-W373 HydrophobicContact CZ-CE3 4.39Å; F94-W373 HydrophobicContact CZ-CZ3 4.49Å
95	S	98.5	Very high	94.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	160.9	171.9	60.5	0	0	0	0	110.7	F124 L352 H353 F354	S95-F124 VanDerWaalsContact CA-O 3.23Å; S95-F124 WeakPolarHBondContact CA-O 3.22Å; S95-F124 VanDerWaalsContact CB-CE2 3.42Å; S95-F124 VanDerWaalsContact CB-O 3.25Å; S95-F124 WeakPolarHBondContact CB-O 3.47Å; S95-F124 VanDerWaalsContact OG-CZ 3.29Å; S95-F124 WeakPolarHBondContact OG-CZ 3.41Å; S95-L352 PolarHBondContact N-O 3.45Å; S95-H353 WeakPolarHBondContact OG-CA 3.37Å; S95-H353 WeakPolarHBondContact OG-CB 3.17Å; S95-H353 PolarHBondContact OG-ND1 3Å; S95-F354 PolarHBondContact O-N 2.8Å
96	L	98.5	Very high	93.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.2	-174.8	-50.7	166.2	0	0	0	110.6	F94 F98 M117 P122 F124 L125 D126 F354 T356 T363 L367	F94-L96 HydrophobicContact CD2-CD2 3.94Å; F94-L96 HydrophobicContact CD2-CG 4.08Å; F94-L96 HydrophobicContact CE2-CD1 4.09Å; F94-L96 HydrophobicContact CE2-CD2 4.04Å; F94-L96 HydrophobicContact CE2-CG 4Å; L96-F98 HydrophobicContact CB-CD2 4.48Å; L96-F98 HydrophobicContact CB-CE2 3.7Å; L96-F98 HydrophobicContact CB-CZ 4.18Å; L96-F98 HydrophobicContact CD1-CE2 4.41Å; L96-F98 HydrophobicContact CD1-CZ 4.42Å; L96-M117 HydrophobicContact CD1-CB 3.99Å; L96-M117 HydrophobicContact CD1-CE 3.65Å; L96-M117 HydrophobicContact CD1-SD 4.44Å; L96-M117 HydrophobicContact CD2-CE 4Å; L96-M117 HydrophobicContact CG-CE 4.41Å; L96-P122 HydrophobicContact CD1-CB 4.36Å; L96-F124 PolarHBondContact N-O 2.95Å; L96-L125 HydrophobicContact CB-CD2 3.66Å; L96-L125 HydrophobicContact CD1-CD2 3.86Å; L96-L125 HydrophobicContact CG-CD2 4.11Å; L96-L125 CarbonylContact O-C 3.49Å; L96-L125 WeakPolarHBondContact O-CA 3.29Å; L96-D126 PolarHBondContact O-N 2.95Å; L96-F354 HydrophobicContact CD2-CB 4.14Å; L96-T356 HydrophobicContact CB-CG2 3.9Å; L96-T356 HydrophobicContact CD2-CG2 4.1Å; L96-T363 HydrophobicContact CD2-CG2 3.54Å; L96-L367 HydrophobicContact CD2-CD1 4.25Å
97	E	98.4	Very high	93.7	Very high	34 Å²	34	57.3 Å²	57.3	16%	0.159	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.2	175.5	-173.6	-178	110.6	0	0	112.2	D126 T128 H161 H353 F354 Y355 T356	E97-D126 HydrophobicContact CB-CB 4.02Å; E97-D126 HydrophobicContact CG-CB 3.94Å; E97-T128 HydrophobicContact CG-CG2 3.77Å; E97-T128 VanDerWaalsContact OE1-CG2 3.23Å; E97-T128 WeakPolarHBondContact OE1-CG2 3.47Å; E97-H161 IonicContact OE2-CE1 3.7Å; E97-H161 PolarHBondContact OE2-CE1 3.44Å; E97-H161 IonicContact OE2-NE2 3.36Å; E97-H353 WeakPolarHBondContact CB-NE2 3.37Å; E97-H353 IonicContact OE2-NE2 3.8Å; E97-H353 PolarHBondContact OE2-NE2 3.12Å; E97-F354 PolarHBondContact N-O 3.21Å; E97-Y355 HydrophobicContact CB-CD1 4.2Å; E97-Y355 HydrophobicContact CG-CD1 4.46Å; E97-Y355 WeakPolarHBondContact OE1-CD1 3.34Å; E97-Y355 WeakPolarHBondContact OE2-CE1 3.38Å; E97-T356 WeakPolarHBondContact O-CB 3.5Å; E97-T356 WeakPolarHBondContact O-CG2 3.32Å; E97-T356 PolarHBondContact O-N 2.74Å; E97-T356 PolarHBondContact O-OG1 3.06Å
98	F	97.6	Very high	93.3	Very high	3 Å²	3	55.2 Å²	55.2	1%	0.013	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	161	177.2	-62.8	-85.1	0	0	0	111.6	L96 L110 R113 F114 M117 L125 D126 T128 T356 N358	L96-F98 HydrophobicContact CB-CD2 4.48Å; L96-F98 HydrophobicContact CB-CE2 3.7Å; L96-F98 HydrophobicContact CB-CZ 4.18Å; L96-F98 HydrophobicContact CD1-CE2 4.41Å; L96-F98 HydrophobicContact CD1-CZ 4.42Å; F98-L110 HydrophobicContact CB-CD1 4.29Å; F98-L110 HydrophobicContact CD1-CD1 3.58Å; F98-L110 HydrophobicContact CE1-CD1 4.18Å; F98-L110 HydrophobicContact CG-CD1 4.12Å; F98-R113 HydrophobicContact CE1-CG 4.46Å; F98-F114 HydrophobicContact CB-CE1 4.14Å; F98-F114 HydrophobicContact CD1-CE1 4.11Å; F98-F114 HydrophobicContact CD2-CD1 4.21Å; F98-F114 AromaticContact CD2-CE1 3.52Å; F98-F114 HydrophobicContact CD2-CE1 3.52Å; F98-F114 HydrophobicContact CD2-CZ 4.45Å; F98-F114 HydrophobicContact CE1-CE1 4.4Å; F98-F114 HydrophobicContact CE2-CD1 4.03Å; F98-F114 AromaticContact CE2-CE1 3.81Å; F98-F114 HydrophobicContact CE2-CE1 3.81Å; F98-F114 AromaticContact CG-CE1 3.66Å; F98-F114 HydrophobicContact CG-CE1 3.66Å; F98-F114 HydrophobicContact CG-CZ 4.49Å; F98-F114 HydrophobicContact CZ-CD1 4.24Å; F98-F114 HydrophobicContact CZ-CE1 4.24Å; F98-M117 HydrophobicContact CE1-SD 3.98Å; F98-M117 HydrophobicContact CZ-CE 4.38Å; F98-M117 HydrophobicContact CZ-SD 3.62Å; F98-L125 HydrophobicContact CD2-CD1 4.49Å; F98-L125 HydrophobicContact CE2-CD1 4.14Å; F98-L125 HydrophobicContact CE2-CD2 3.86Å; F98-D126 PolarHBondContact N-O 3.23Å; F98-T128 PolarHBondContact O-N 3.44Å; F98-T128 PolarHBondContact O-OG1 2.71Å; F98-T356 VanDerWaalsContact CD1-OG1 3.23Å; F98-T356 WeakPolarHBondContact CD1-OG1 3.31Å; F98-T356 HydrophobicContact CE1-CG2 4.1Å; F98-T356 VanDerWaalsContact CE1-OG1 3.3Å; F98-T356 WeakPolarHBondContact CE1-OG1 3.44Å; F98-T356 HydrophobicContact CZ-CG2 4.07Å; F98-N358 WeakPolarHBondContact CA-OD1 3.37Å; F98-N358 WeakPolarHBondContact CB-OD1 3.43Å; F98-N358 WeakPolarHBondContact CD1-OD1 3.45Å
99	F	94.4	Very high	93	Very high	89 Å²	89	53.1 Å²	53.1	39%	0.39	28%	0.282	S	S	.	.			trans	-118.2	145.1	173.4	63.7	-97.1	0	0	0	112.3	P101 T128 L357 N358	F99-P101 WeakPolarHBondContact O-CD 3.37Å; F99-T128 WeakPolarHBondContact CA-OG1 3.46Å; F99-T128 WeakPolarHBondContact CB-OG1 3.4Å; F99-L357 VanDerWaalsContact CE1-C 3.48Å; F99-L357 HydrophobicContact CE1-CB 4.35Å; F99-N358 HydrophobicContact CD1-CB 4.48Å; F99-N358 WeakPolarHBondContact CD2-ND2 3.33Å; F99-N358 HydrophobicContact CE1-CB 3.92Å; F99-N358 WeakPolarHBondContact CE2-ND2 3.34Å; F99-N358 HydrophobicContact CZ-CB 4Å; F99-N358 WeakPolarHBondContact CZ-ND2 3.28Å; F99-N358 PolarHBondContact N-OD1 3.2Å; F99-N358 PolarHBondContact O-ND2 3.25Å; F99-N358 PolarHBondContact O-OD1 3.19Å
100	P	94.9	Very high	93	Very high	27 Å²	27	50.1 Å²	50.1	18%	0.175	26%	0.261	C	S	.	.			trans	-59.4	127.4	177.1	24.6	-35.1	0	0	0	110.7	T128 T141 S143	P100-T128 WeakPolarHBondContact CD-O 3.45Å; P100-T128 WeakPolarHBondContact CD-OG1 3.42Å; P100-T141 VanDerWaalsContact CB-O 3.24Å; P100-T141 WeakPolarHBondContact CB-O 3.5Å; P100-S143 WeakPolarHBondContact CG-OG 3.28Å
101	P	93.8	Very high	92.9	Very high	12 Å²	12	48.5 Å²	48.5	8%	0.078	24%	0.243	C	C	.	.			trans	-66.9	156	176.6	-23.5	38	0	0	0	111.5	F99 G106 L110 T141	F99-P101 WeakPolarHBondContact O-CD 3.37Å; P101-G106 VanDerWaalsContact CB-C 3.41Å; P101-G106 VanDerWaalsContact CG-C 3.46Å; P101-G106 WeakPolarHBondContact CG-O 3.47Å; P101-L110 HydrophobicContact CG-CB 3.9Å; P101-L110 HydrophobicContact CG-CD2 3.72Å; P101-L110 HydrophobicContact CG-CG 4.44Å; P101-T141 WeakPolarHBondContact O-CB 3.43Å; P101-T141 WeakPolarHBondContact O-CG2 3.46Å
102	R	90.8	Very high	92.6	Very high	244 Å²	244	44.9 Å²	44.9	92%	0.921	23%	0.225	S	C	*	.	S	Bend	trans	-88	-7.5	179	-64.3	-174.7	178.2	-172.9	-1.6	114
103	T	91.4	Very high	92.5	Very high	82 Å²	82	42.9 Å²	42.9	50%	0.503	22%	0.215	S	C	.	.	S	Bend	trans	-132.3	153.5	-176.4	64.7	0	0	0	0	111.1	E105 G106 A107	T103-E105 VanDerWaalsContact C-N 3.35Å; T103-E105 PolarHBondContact O-N 2.76Å; T103-G106 WeakPolarHBondContact O-CA 3.47Å; T103-G106 PolarHBondContact O-N 2.91Å; T103-G106 VanDerWaalsContact O-N 3.12Å; T103-G106 PolarHBondContact OG1-N 2.98Å; T103-G106 VanDerWaalsContact OG1-N 3.15Å; T103-A107 PolarHBondContact O-N 2.93Å
104	A	85.3	Confident	92.3	Very high	42 Å²	42	42.8 Å²	42.8	35%	0.347	22%	0.215	S	C	.	.	H	α-helix	trans	-52.4	-50.1	174.8	0	0	0	0	0	112.7	G106 A107 V108 E140	A104-G106 VanDerWaalsContact C-N 3.28Å; A104-G106 PolarHBondContact O-N 3.26Å; A104-A107 WeakPolarHBondContact O-CA 3.27Å; A104-A107 VanDerWaalsContact O-CB 3.31Å; A104-A107 WeakPolarHBondContact O-CB 3.43Å; A104-A107 PolarHBondContact O-N 2.96Å; A104-V108 PolarHBondContact O-N 2.84Å; A104-V108 VanDerWaalsContact O-N 3.07Å; A104-E140 WeakPolarHBondContact CA-OE1 3.28Å; A104-E140 VanDerWaalsContact CB-CD 3.49Å; A104-E140 WeakPolarHBondContact CB-OE1 3.36Å
105	E	84.1	Confident	91.8	Very high	144 Å²	144	45.6 Å²	45.6	67%	0.673	23%	0.23	S	C	*	.	H	α-helix	trans	-60.9	-39.8	178	-171.1	-170.5	165.3	0	0	111.2	T103 A107 V108 N109	T103-E105 VanDerWaalsContact C-N 3.35Å; T103-E105 PolarHBondContact O-N 2.76Å; E105-A107 VanDerWaalsContact C-N 3.31Å; E105-A107 PolarHBondContact O-N 3.38Å; E105-V108 PolarHBondContact O-N 3.03Å; E105-N109 WeakPolarHBondContact O-CB 3.48Å; E105-N109 VanDerWaalsContact O-CG 3.3Å; E105-N109 PolarHBondContact O-N 3.34Å; E105-N109 PolarHBondContact O-ND2 3.01Å
106	G	89.2	Confident	91.4	Very high	19 Å²	19	50.8 Å²	50.8	20%	0.196	25%	0.25	C	C	.	.	H	α-helix	trans	-59.8	-40.4	172.9	0	0	0	0	0	112.4	P101 T103 A104 N109 L110	P101-G106 VanDerWaalsContact CB-C 3.41Å; P101-G106 VanDerWaalsContact CG-C 3.46Å; P101-G106 WeakPolarHBondContact CG-O 3.47Å; T103-G106 WeakPolarHBondContact O-CA 3.47Å; T103-G106 PolarHBondContact O-N 2.91Å; T103-G106 VanDerWaalsContact O-N 3.12Å; T103-G106 PolarHBondContact OG1-N 2.98Å; T103-G106 VanDerWaalsContact OG1-N 3.15Å; A104-G106 VanDerWaalsContact C-N 3.28Å; A104-G106 PolarHBondContact O-N 3.26Å; G106-N109 PolarHBondContact O-N 3.5Å; G106-L110 WeakPolarHBondContact O-CB 3.1Å; G106-L110 PolarHBondContact O-N 3.01Å
107	A	90.2	Very high	91.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.2	-50.1	176.1	0	0	0	0	0	111.3	T103 A104 E105 N109 L110 I111 I146 F440	T103-A107 PolarHBondContact O-N 2.93Å; A104-A107 WeakPolarHBondContact O-CA 3.27Å; A104-A107 VanDerWaalsContact O-CB 3.31Å; A104-A107 WeakPolarHBondContact O-CB 3.43Å; A104-A107 PolarHBondContact O-N 2.96Å; E105-A107 VanDerWaalsContact C-N 3.31Å; E105-A107 PolarHBondContact O-N 3.38Å; A107-N109 VanDerWaalsContact C-N 3.31Å; A107-N109 PolarHBondContact O-N 3.19Å; A107-L110 WeakPolarHBondContact O-CB 3.29Å; A107-L110 PolarHBondContact O-N 3.29Å; A107-L110 VanDerWaalsContact O-N 3.09Å; A107-I111 WeakPolarHBondContact O-CG1 3.16Å; A107-I111 PolarHBondContact O-N 3.09Å; A107-I146 HydrophobicContact CB-CD1 4Å; A107-F440 HydrophobicContact CB-CD2 4.28Å; A107-F440 HydrophobicContact CB-CE2 4.17Å
108	V	86.1	Confident	90.9	Very high	37 Å²	37	50.7 Å²	50.7	22%	0.224	26%	0.255	C	S	.	.	H	α-helix	trans	-58.1	-43.4	177	177.2	0	0	0	0	111.8	A104 E105 L110 I111 S112 F440	A104-V108 PolarHBondContact O-N 2.84Å; A104-V108 VanDerWaalsContact O-N 3.07Å; E105-V108 PolarHBondContact O-N 3.03Å; V108-L110 VanDerWaalsContact C-N 3.32Å; V108-L110 PolarHBondContact O-N 3.4Å; V108-I111 PolarHBondContact O-N 3.46Å; V108-S112 PolarHBondContact O-N 3.33Å; V108-S112 PolarHBondContact O-OG 2.91Å; V108-S112 VanDerWaalsContact O-OG 3.04Å; V108-F440 HydrophobicContact CG2-CD2 4.47Å
109	N	88.2	Confident	90.5	Very high	84 Å²	84	52.6 Å²	52.6	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-63.3	-37.4	176.7	-76.9	-31.8	0	0	0	112.5	E105 G106 A107 R113	E105-N109 WeakPolarHBondContact O-CB 3.48Å; E105-N109 VanDerWaalsContact O-CG 3.3Å; E105-N109 PolarHBondContact O-N 3.34Å; E105-N109 PolarHBondContact O-ND2 3.01Å; G106-N109 PolarHBondContact O-N 3.5Å; A107-N109 VanDerWaalsContact C-N 3.31Å; A107-N109 PolarHBondContact O-N 3.19Å; N109-R113 PolarHBondContact O-N 3.03Å; N109-R113 VanDerWaalsContact O-N 3.11Å
110	L	93.1	Very high	90.4	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-69.3	-43	176.6	-177.9	61.3	0	0	0	111.9	F98 P101 G106 A107 V108 S112 R113 F114 I146 N358	F98-L110 HydrophobicContact CB-CD1 4.29Å; F98-L110 HydrophobicContact CD1-CD1 3.58Å; F98-L110 HydrophobicContact CE1-CD1 4.18Å; F98-L110 HydrophobicContact CG-CD1 4.12Å; P101-L110 HydrophobicContact CG-CB 3.9Å; P101-L110 HydrophobicContact CG-CD2 3.72Å; P101-L110 HydrophobicContact CG-CG 4.44Å; G106-L110 WeakPolarHBondContact O-CB 3.1Å; G106-L110 PolarHBondContact O-N 3.01Å; A107-L110 WeakPolarHBondContact O-CB 3.29Å; A107-L110 PolarHBondContact O-N 3.29Å; A107-L110 VanDerWaalsContact O-N 3.09Å; V108-L110 VanDerWaalsContact C-N 3.32Å; V108-L110 PolarHBondContact O-N 3.4Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.47Å; L110-R113 CarbonylContact O-C 3.58Å; L110-R113 WeakPolarHBondContact O-CA 3.27Å; L110-R113 VanDerWaalsContact O-CB 3.28Å; L110-R113 WeakPolarHBondContact O-CB 3.43Å; L110-R113 PolarHBondContact O-N 3.39Å; L110-F114 HydrophobicContact CD1-CD1 4.31Å; L110-F114 HydrophobicContact CD1-CE1 3.73Å; L110-F114 HydrophobicContact CD1-CZ 4.18Å; L110-F114 HydrophobicContact CD2-CE1 4.34Å; L110-F114 HydrophobicContact CD2-CZ 3.97Å; L110-F114 HydrophobicContact CG-CD1 4.48Å; L110-F114 HydrophobicContact CG-CE1 3.83Å; L110-F114 HydrophobicContact CG-CE2 4.38Å; L110-F114 HydrophobicContact CG-CZ 3.79Å; L110-F114 PolarHBondContact O-N 3.43Å; L110-I146 HydrophobicContact CD2-CD1 4.5Å; L110-I146 HydrophobicContact CD2-CG2 3.86Å; L110-N358 HydrophobicContact CD1-CB 4.44Å
111	I	90.8	Very high	90.3	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-42.9	176.4	-58.8	-45.1	0	0	0	110.9	A107 V108 R113 F114 D115 I146 T149	A107-I111 WeakPolarHBondContact O-CG1 3.16Å; A107-I111 PolarHBondContact O-N 3.09Å; V108-I111 PolarHBondContact O-N 3.46Å; I111-R113 PolarHBondContact O-N 3.2Å; I111-F114 HydrophobicContact CD1-CD2 3.73Å; I111-F114 HydrophobicContact CD1-CE2 3.7Å; I111-F114 WeakPolarHBondContact O-CB 3.49Å; I111-F114 PolarHBondContact O-N 3.3Å; I111-D115 PolarHBondContact O-N 3.04Å; I111-D115 VanDerWaalsContact O-N 3.13Å; I111-I146 HydrophobicContact CD1-CD1 4.32Å; I111-T149 HydrophobicContact CD1-CG2 3.39Å; I111-T149 HydrophobicContact CG1-CG2 3.79Å; I111-T149 HydrophobicContact CG2-CG2 4.06Å
112	S	88.1	Confident	90.4	Very high	20 Å²	20	49 Å²	49	14%	0.14	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-31	174.4	-58.5	0	0	0	0	112.3	V108 L110 R116	V108-S112 PolarHBondContact O-N 3.33Å; V108-S112 PolarHBondContact O-OG 2.91Å; V108-S112 VanDerWaalsContact O-OG 3.04Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.47Å; S112-R116 PolarHBondContact O-N 3.4Å; S112-R116 PolarHBondContact O-NH1 3.34Å
113	R	93.8	Very high	90.7	Very high	48 Å²	48	37.8 Å²	37.8	18%	0.181	22%	0.22	C	C	.	.	H	α-helix	trans	-72.8	-37.1	174.1	-171.4	-179.5	-53.1	-70.3	4.6	112	F98 N109 L110 I111 D115 R116 M117 N358 E360	F98-R113 HydrophobicContact CE1-CG 4.46Å; N109-R113 PolarHBondContact O-N 3.03Å; N109-R113 VanDerWaalsContact O-N 3.11Å; L110-R113 CarbonylContact O-C 3.58Å; L110-R113 WeakPolarHBondContact O-CA 3.27Å; L110-R113 VanDerWaalsContact O-CB 3.28Å; L110-R113 WeakPolarHBondContact O-CB 3.43Å; L110-R113 PolarHBondContact O-N 3.39Å; I111-R113 PolarHBondContact O-N 3.2Å; R113-D115 VanDerWaalsContact C-N 3.33Å; R113-D115 PolarHBondContact O-N 3.35Å; R113-R116 PolarHBondContact O-N 3.01Å; R113-M117 HydrophobicContact CG-CG 4.08Å; R113-M117 HydrophobicContact CG-SD 3.76Å; R113-M117 WeakPolarHBondContact O-CB 3.41Å; R113-M117 WeakPolarHBondContact O-CG 3.37Å; R113-M117 PolarHBondContact O-N 3.13Å; R113-N358 PolarHBondContact NE-O 3.39Å; R113-N358 PolarHBondContact NH2-O 2.93Å; R113-E360 HydrophobicContact CG-CB 4.26Å; R113-E360 IonicContact CZ-OE2 3.45Å; R113-E360 VanDerWaalsContact NH1-CG 3.26Å; R113-E360 IonicContact NH1-OE1 3.59Å; R113-E360 PolarHBondContact NH1-OE1 2.8Å; R113-E360 IonicContact NH1-OE2 3.33Å; R113-E360 PolarHBondContact NH1-OE2 3.29Å
114	F	93.9	Very high	91	Very high	1 Å²	1	34 Å²	34	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-56.8	-48.4	172	-65.9	-18.6	0	0	0	110.9	F98 L110 I111 R116 M117 A118 L125 I146 A150 C154 L156	F98-F114 HydrophobicContact CB-CE1 4.14Å; F98-F114 HydrophobicContact CD1-CE1 4.11Å; F98-F114 HydrophobicContact CD2-CD1 4.21Å; F98-F114 AromaticContact CD2-CE1 3.52Å; F98-F114 HydrophobicContact CD2-CE1 3.52Å; F98-F114 HydrophobicContact CD2-CZ 4.45Å; F98-F114 HydrophobicContact CE1-CE1 4.4Å; F98-F114 HydrophobicContact CE2-CD1 4.03Å; F98-F114 AromaticContact CE2-CE1 3.81Å; F98-F114 HydrophobicContact CE2-CE1 3.81Å; F98-F114 AromaticContact CG-CE1 3.66Å; F98-F114 HydrophobicContact CG-CE1 3.66Å; F98-F114 HydrophobicContact CG-CZ 4.49Å; F98-F114 HydrophobicContact CZ-CD1 4.24Å; F98-F114 HydrophobicContact CZ-CE1 4.24Å; L110-F114 HydrophobicContact CD1-CD1 4.31Å; L110-F114 HydrophobicContact CD1-CE1 3.73Å; L110-F114 HydrophobicContact CD1-CZ 4.18Å; L110-F114 HydrophobicContact CD2-CE1 4.34Å; L110-F114 HydrophobicContact CD2-CZ 3.97Å; L110-F114 HydrophobicContact CG-CD1 4.48Å; L110-F114 HydrophobicContact CG-CE1 3.83Å; L110-F114 HydrophobicContact CG-CE2 4.38Å; L110-F114 HydrophobicContact CG-CZ 3.79Å; L110-F114 PolarHBondContact O-N 3.43Å; I111-F114 HydrophobicContact CD1-CD2 3.73Å; I111-F114 HydrophobicContact CD1-CE2 3.7Å; I111-F114 WeakPolarHBondContact O-CB 3.49Å; I111-F114 PolarHBondContact O-N 3.3Å; F114-R116 VanDerWaalsContact C-N 3.31Å; F114-R116 PolarHBondContact O-N 3.49Å; F114-M117 PolarHBondContact O-N 3.35Å; F114-A118 VanDerWaalsContact O-CB 3.23Å; F114-A118 WeakPolarHBondContact O-CB 3.38Å; F114-A118 PolarHBondContact O-N 3.47Å; F114-L125 HydrophobicContact CD1-CD1 3.86Å; F114-L125 HydrophobicContact CE1-CD1 4.13Å; F114-L125 HydrophobicContact CG-CD1 4.21Å; F114-I146 HydrophobicContact CE2-CG2 3.87Å; F114-I146 HydrophobicContact CZ-CG2 3.78Å; F114-A150 HydrophobicContact CD2-CB 4.03Å; F114-A150 HydrophobicContact CE2-CB 3.88Å; F114-C154 HydrophobicContact CB-CB 4.38Å; F114-L156 HydrophobicContact CB-CD1 3.98Å
115	D	87.6	Confident	91.5	Very high	62 Å²	62	32.1 Å²	32.1	33%	0.332	18%	0.181	S	C	.	.	H	α-helix	trans	-58.4	-42.1	179.5	-65.5	-23.6	0	0	0	111.6	I111 R113 C154 K406	I111-D115 PolarHBondContact O-N 3.04Å; I111-D115 VanDerWaalsContact O-N 3.13Å; R113-D115 VanDerWaalsContact C-N 3.33Å; R113-D115 PolarHBondContact O-N 3.35Å; D115-C154 PolarHBondContact OD1-SG 3.46Å; D115-K406 IonicContact OD2-NZ 3.04Å; D115-K406 PolarHBondContact OD2-NZ 3.09Å
116	R	90.3	Very high	92	Very high	110 Å²	110	25.3 Å²	25.3	42%	0.415	15%	0.149	S	C	.	.	H	α-helix	trans	-70.3	-41.2	176.6	-68.5	-169.8	-57.5	-85.7	0.5	113.3	S112 R113 F114 A119 E360	S112-R116 PolarHBondContact O-N 3.4Å; S112-R116 PolarHBondContact O-NH1 3.34Å; R113-R116 PolarHBondContact O-N 3.01Å; F114-R116 VanDerWaalsContact C-N 3.31Å; F114-R116 PolarHBondContact O-N 3.49Å; R116-A119 WeakPolarHBondContact O-CB 3.49Å; R116-E360 IonicContact CZ-OE1 3.72Å; R116-E360 IonicContact CZ-OE2 3.88Å; R116-E360 VanDerWaalsContact CZ-OE2 3.27Å; R116-E360 IonicContact NE-OE1 2.8Å; R116-E360 IonicContact NE-OE2 3.36Å; R116-E360 PolarHBondContact NE-OE2 3.21Å; R116-E360 IonicContact NH2-OE1 2.62Å; R116-E360 PolarHBondContact NH2-OE1 2.9Å; R116-E360 IonicContact NH2-OE2 2.63Å; R116-E360 PolarHBondContact NH2-OE2 2.8Å
117	M	94.4	Very high	92.5	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-79.3	-22.7	-176.2	-66.9	-172.4	78.9	0	0	113.1	L96 F98 R113 F114 A119 G120 T356 E360 T363 M364	L96-M117 HydrophobicContact CD1-CB 3.99Å; L96-M117 HydrophobicContact CD1-CE 3.65Å; L96-M117 HydrophobicContact CD1-SD 4.44Å; L96-M117 HydrophobicContact CD2-CE 4Å; L96-M117 HydrophobicContact CG-CE 4.41Å; F98-M117 HydrophobicContact CE1-SD 3.98Å; F98-M117 HydrophobicContact CZ-CE 4.38Å; F98-M117 HydrophobicContact CZ-SD 3.62Å; R113-M117 HydrophobicContact CG-CG 4.08Å; R113-M117 HydrophobicContact CG-SD 3.76Å; R113-M117 WeakPolarHBondContact O-CB 3.41Å; R113-M117 WeakPolarHBondContact O-CG 3.37Å; R113-M117 PolarHBondContact O-N 3.13Å; F114-M117 PolarHBondContact O-N 3.35Å; M117-A119 PolarHBondContact O-N 2.83Å; M117-G120 PolarHBondContact O-N 3.2Å; M117-T356 HydrophobicContact CE-CG2 4.33Å; M117-E360 HydrophobicContact CE-CB 4.32Å; M117-E360 HydrophobicContact CG-CB 4.05Å; M117-E360 HydrophobicContact SD-CB 3.66Å; M117-T363 HydrophobicContact CE-CG2 4.33Å; M117-M364 HydrophobicContact CE-CG 4.31Å; M117-M364 HydrophobicContact CG-SD 4.46Å
118	A	91.6	Very high	92.8	Very high	30 Å²	30	25.8 Å²	25.8	25%	0.248	15%	0.148	C	C	.	.	H	α-helix	trans	-57.4	-32.9	171	0	0	0	0	0	112.6	F114 G120 G121 L156	F114-A118 VanDerWaalsContact O-CB 3.23Å; F114-A118 WeakPolarHBondContact O-CB 3.38Å; F114-A118 PolarHBondContact O-N 3.47Å; A118-G120 PolarHBondContact O-N 3.45Å; A118-G120 VanDerWaalsContact O-N 3.12Å; A118-G121 PolarHBondContact O-N 3.27Å; A118-L156 HydrophobicContact CB-CD1 4.11Å; A118-L156 HydrophobicContact CB-CD2 3.75Å; A118-L156 HydrophobicContact CB-CG 4.37Å
119	A	89.1	Confident	93.2	Very high	42 Å²	42	24.6 Å²	24.6	35%	0.347	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.4	179.3	0	0	0	0	0	113.2	R116 M117 G121 W373	R116-A119 WeakPolarHBondContact O-CB 3.49Å; M117-A119 PolarHBondContact O-N 2.83Å; A119-G121 PolarHBondContact O-N 3.06Å; A119-W373 HydrophobicContact CB-CZ2 4.46Å
120	G	92.2	Very high	93.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-14.6	177.6	0	0	0	0	0	114.7	F94 M117 A118 W373 T374	F94-G120 WeakPolarHBondContact CE1-O 3.49Å; M117-G120 PolarHBondContact O-N 3.2Å; A118-G120 PolarHBondContact O-N 3.45Å; A118-G120 VanDerWaalsContact O-N 3.12Å; G120-W373 VanDerWaalsContact CA-CD2 3.4Å; G120-W373 VanDerWaalsContact CA-CZ2 3.41Å; G120-W373 VanDerWaalsContact N-CZ2 3.3Å; G120-T374 PolarHBondContact O-N 3Å; G120-T374 VanDerWaalsContact O-N 3.16Å; G120-T374 PolarHBondContact O-OG1 3.41Å
121	G	92.8	Very high	92.9	Very high	33 Å²	33	27.4 Å²	27.4	34%	0.34	15%	0.154	S	C	.	.			trans	76.4	47.3	-176.7	0	0	0	0	0	115.2	A118 A119	A118-G121 PolarHBondContact O-N 3.27Å; A119-G121 PolarHBondContact O-N 3.06Å
122	P	96.1	Very high	92.6	Very high	19 Å²	19	31.5 Å²	31.5	12%	0.123	19%	0.188	C	C	.	.			trans	-59.5	146.6	173.7	27.5	-33.8	0	0	0	110.9	F94 L96 L125 L156	F94-P122 HydrophobicContact CD2-CB 4.11Å; F94-P122 HydrophobicContact CE2-CB 3.56Å; F94-P122 HydrophobicContact CE2-CG 4.4Å; F94-P122 HydrophobicContact CZ-CB 3.97Å; L96-P122 HydrophobicContact CD1-CB 4.36Å; P122-L125 HydrophobicContact CB-CD2 4.36Å; P122-L125 HydrophobicContact CG-CD2 4.29Å; P122-L156 HydrophobicContact CG-CD2 4.39Å
123	L	96.2	Very high	92.4	Very high	9 Å²	9	32.6 Å²	32.6	5%	0.047	20%	0.203	C	C	.	.	S	Bend	trans	-71.1	-39.4	172.8	-179.2	62.4	0	0	0	111.3	L79 K82 M83 W93 F94 E157	L79-L123 HydrophobicContact CD1-CD2 4.37Å; L79-L123 HydrophobicContact CD1-CG 4.14Å; K82-L123 HydrophobicContact CB-CD1 4.09Å; K82-L123 HydrophobicContact CD-CD1 4.49Å; M83-L123 HydrophobicContact CG-CD2 3.77Å; W93-L123 HydrophobicContact CB-CB 4.17Å; W93-L123 HydrophobicContact CB-CD2 4.44Å; W93-L123 HydrophobicContact CD2-CB 4.24Å; W93-L123 HydrophobicContact CD2-CD2 3.4Å; W93-L123 HydrophobicContact CD2-CG 4.45Å; W93-L123 HydrophobicContact CE3-CB 3.99Å; W93-L123 HydrophobicContact CE3-CD2 3.64Å; W93-L123 HydrophobicContact CE3-CG 4.44Å; W93-L123 HydrophobicContact CG-CB 4.34Å; W93-L123 HydrophobicContact CG-CD2 3.78Å; W93-L123 HydrophobicContact CH2-CD2 4.12Å; W93-L123 HydrophobicContact CZ2-CD2 4Å; W93-L123 HydrophobicContact CZ3-CD2 4.01Å; F94-L123 PolarHBondContact O-N 2.9Å; L123-E157 WeakPolarHBondContact O-CB 3.11Å
124	F	97.4	Very high	92.3	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	164.6	174.9	66.7	-89.1	0	0	0	111.9	L79 M83 W93 S95 L96 D126 E157 V159 F258 I260 L287	L79-F124 HydrophobicContact CD1-CB 4.14Å; L79-F124 HydrophobicContact CD1-CD1 3.88Å; L79-F124 HydrophobicContact CD1-CG 4.28Å; L79-F124 HydrophobicContact CD2-CB 4.35Å; L79-F124 HydrophobicContact CD2-CD1 4.24Å; L79-F124 HydrophobicContact CD2-CG 4.19Å; M83-F124 HydrophobicContact CE-CD1 3.85Å; M83-F124 HydrophobicContact CE-CE1 3.33Å; M83-F124 HydrophobicContact CE-CZ 4.1Å; W93-F124 HydrophobicContact CE3-CE1 4.49Å; W93-F124 HydrophobicContact CH2-CE1 4Å; W93-F124 HydrophobicContact CZ3-CD1 4.38Å; W93-F124 AromaticContact CZ3-CE1 3.6Å; W93-F124 HydrophobicContact CZ3-CE1 3.6Å; W93-F124 HydrophobicContact CZ3-CZ 4.43Å; S95-F124 VanDerWaalsContact CA-O 3.23Å; S95-F124 WeakPolarHBondContact CA-O 3.22Å; S95-F124 VanDerWaalsContact CB-CE2 3.42Å; S95-F124 VanDerWaalsContact CB-O 3.25Å; S95-F124 WeakPolarHBondContact CB-O 3.47Å; S95-F124 VanDerWaalsContact OG-CZ 3.29Å; S95-F124 WeakPolarHBondContact OG-CZ 3.41Å; L96-F124 PolarHBondContact N-O 2.95Å; F124-D126 WeakPolarHBondContact CD2-OD1 3.39Å; F124-D126 WeakPolarHBondContact CE2-OD1 3.4Å; F124-E157 CarbonylContact C-O 3.5Å; F124-E157 WeakPolarHBondContact CA-O 3.43Å; F124-E157 HydrophobicContact CB-CB 4.2Å; F124-E157 HydrophobicContact CB-CG 3.96Å; F124-E157 WeakPolarHBondContact CB-O 3.39Å; F124-V159 HydrophobicContact CD2-CG2 3.6Å; F124-V159 HydrophobicContact CE2-CG2 3.97Å; F124-V159 HydrophobicContact CG-CG2 4.33Å; F124-F258 HydrophobicContact CZ-CE2 4.17Å; F124-F258 HydrophobicContact CZ-CZ 4.41Å; F124-I260 HydrophobicContact CE2-CD1 4.34Å; F124-I260 HydrophobicContact CZ-CD1 4.35Å; F124-L287 HydrophobicContact CE1-CD1 4.15Å; F124-L287 HydrophobicContact CZ-CD1 3.92Å
125	L	96.5	Very high	92.3	Very high	4 Å²	4	34 Å²	34	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	152.3	172.3	-66.7	-162.9	0	0	0	111.7	L96 F98 F114 P122 L156 E157 T158 V159	L96-L125 HydrophobicContact CB-CD2 3.66Å; L96-L125 HydrophobicContact CD1-CD2 3.86Å; L96-L125 HydrophobicContact CG-CD2 4.11Å; L96-L125 CarbonylContact O-C 3.49Å; L96-L125 WeakPolarHBondContact O-CA 3.29Å; F98-L125 HydrophobicContact CD2-CD1 4.49Å; F98-L125 HydrophobicContact CE2-CD1 4.14Å; F98-L125 HydrophobicContact CE2-CD2 3.86Å; F114-L125 HydrophobicContact CD1-CD1 3.86Å; F114-L125 HydrophobicContact CE1-CD1 4.13Å; F114-L125 HydrophobicContact CG-CD1 4.21Å; P122-L125 HydrophobicContact CB-CD2 4.36Å; P122-L125 HydrophobicContact CG-CD2 4.29Å; L125-L156 HydrophobicContact CD1-CB 4.17Å; L125-L156 HydrophobicContact CD1-CD1 3.38Å; L125-L156 HydrophobicContact CD1-CG 4.29Å; L125-L156 HydrophobicContact CG-CB 4.3Å; L125-L156 HydrophobicContact CG-CD1 4.15Å; L125-E157 PolarHBondContact N-O 2.75Å; L125-T158 CarbonylContact O-C 3.57Å; L125-T158 VanDerWaalsContact O-CA 3.26Å; L125-T158 WeakPolarHBondContact O-CA 2.95Å; L125-V159 PolarHBondContact O-N 2.82Å
126	D	95.3	Very high	92.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.7	176.5	-72	10.1	0	0	0	111.3	L96 E97 F98 F124 V159 H161 I260 H353	L96-D126 PolarHBondContact O-N 2.95Å; E97-D126 HydrophobicContact CB-CB 4.02Å; E97-D126 HydrophobicContact CG-CB 3.94Å; F98-D126 PolarHBondContact N-O 3.23Å; F124-D126 WeakPolarHBondContact CD2-OD1 3.39Å; F124-D126 WeakPolarHBondContact CE2-OD1 3.4Å; D126-V159 WeakPolarHBondContact CA-O 3.28Å; D126-V159 WeakPolarHBondContact OD1-CB 3.42Å; D126-V159 VanDerWaalsContact OD1-CG2 3.24Å; D126-V159 WeakPolarHBondContact OD1-CG2 3.43Å; D126-H161 IonicContact OD2-NE2 3.88Å; D126-I260 WeakPolarHBondContact OD2-CD1 3.26Å; D126-H353 IonicContact OD2-CE1 2.62Å; D126-H353 PolarHBondContact OD2-CE1 3.03Å; D126-H353 IonicContact OD2-ND1 2.9Å
127	V	98.2	Very high	92.7	Very high	0 Å²	0	27 Å²	27	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	115.5	173.8	-177.7	0	0	0	0	109.4	I146 A147 T158 V159 H161	V127-I146 HydrophobicContact CG1-CB 4.26Å; V127-I146 HydrophobicContact CG1-CG2 4.04Å; V127-I146 HydrophobicContact CG2-CG2 4.07Å; V127-A147 HydrophobicContact CB-CB 4.12Å; V127-A147 HydrophobicContact CG2-CB 3.98Å; V127-T158 HydrophobicContact CG2-CG2 4.13Å; V127-V159 PolarHBondContact N-O 3.34Å; V127-H161 WeakPolarHBondContact O-CB 3.33Å; V127-H161 PolarHBondContact O-CD2 2.88Å; V127-H161 PolarHBondContact O-N 2.91Å
128	T	96.8	Very high	92.7	Very high	29 Å²	29	32.8 Å²	32.8	18%	0.178	22%	0.219	C	C	.	.			trans	-67.4	160.2	-178.7	58.2	0	0	0	0	113.2	E97 F98 F99 P100 S143	E97-T128 HydrophobicContact CG-CG2 3.77Å; E97-T128 VanDerWaalsContact OE1-CG2 3.23Å; E97-T128 WeakPolarHBondContact OE1-CG2 3.47Å; F98-T128 PolarHBondContact O-N 3.44Å; F98-T128 PolarHBondContact O-OG1 2.71Å; F99-T128 WeakPolarHBondContact CA-OG1 3.46Å; F99-T128 WeakPolarHBondContact CB-OG1 3.4Å; P100-T128 WeakPolarHBondContact CD-O 3.45Å; P100-T128 WeakPolarHBondContact CD-OG1 3.42Å; T128-S143 WeakPolarHBondContact O-CB 3.45Å; T128-S143 PolarHBondContact O-OG 3.4Å
129	W	94.6	Very high	92.6	Very high	13 Å²	13	36.7 Å²	36.7	5%	0.049	23%	0.23	C	C	.	.			trans	-133.5	127.7	-174.8	179.5	-75.5	0	0	0	110.5	P135 M144 L160 H161 T163 H175	W129-P135 HydrophobicContact CD2-CB 3.56Å; W129-P135 HydrophobicContact CD2-CG 3.52Å; W129-P135 HydrophobicContact CE3-CB 3.61Å; W129-P135 HydrophobicContact CE3-CG 4.01Å; W129-P135 HydrophobicContact CG-CB 4.11Å; W129-P135 HydrophobicContact CG-CG 4.01Å; W129-P135 HydrophobicContact CH2-CB 4.06Å; W129-P135 HydrophobicContact CH2-CG 3.91Å; W129-P135 HydrophobicContact CZ2-CB 4.06Å; W129-P135 HydrophobicContact CZ2-CG 3.45Å; W129-P135 VanDerWaalsContact CZ2-CG 3.45Å; W129-P135 HydrophobicContact CZ3-CB 3.84Å; W129-P135 HydrophobicContact CZ3-CG 4.17Å; W129-M144 HydrophobicContact CZ3-CE 4.23Å; W129-L160 HydrophobicContact CE3-CD1 4.11Å; W129-L160 HydrophobicContact CE3-CG 4.46Å; W129-L160 HydrophobicContact CZ3-CD2 4.37Å; W129-H161 HydrophobicContact CB-CB 3.73Å; W129-H161 WeakPolarHBondContact CB-O 3.26Å; W129-H161 VanDerWaalsContact CE3-O 3.25Å; W129-T163 PolarHBondContact NE1-OG1 3.21Å; W129-H175 HydrophobicContact CH2-CB 4.24Å; W129-H175 AromaticContact CH2-CG 3.8Å; W129-H175 AromaticContact CH2-ND1 3.7Å; W129-H175 AromaticContact CZ2-CE1 3.81Å; W129-H175 AromaticContact CZ2-ND1 3.58Å
130	H	89.4	Confident	92.6	Very high	106 Å²	106	37.6 Å²	37.6	49%	0.491	23%	0.228	S	C	.	.			trans	-141.6	125.3	175	-169.5	-74.2	0	0	0	110	A132 G133 P135	H130-A132 VanDerWaalsContact C-N 3.27Å; H130-A132 WeakPolarHBondContact ND1-CB 3.47Å; H130-A132 PolarHBondContact ND1-N 3.15Å; H130-A132 PolarHBondContact O-N 2.71Å; H130-A132 VanDerWaalsContact O-N 3.14Å; H130-G133 PolarHBondContact O-N 2.91Å; H130-P135 WeakPolarHBondContact O-CD 3.27Å; H130-P135 WeakPolarHBondContact O-CG 3.36Å
131	P	85.8	Confident	92.7	Very high	41 Å²	41	39.1 Å²	39.1	27%	0.266	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-53.5	-38.3	-174.3	-29.3	35.4	0	0	0	114.7	G133 D134 P135	P131-G133 PolarHBondContact O-N 2.96Å; P131-D134 PolarHBondContact O-N 3.19Å; P131-P135 WeakPolarHBondContact O-CD 3.48Å
132	A	84.8	Confident	92.9	Very high	90 Å²	90	37.5 Å²	37.5	74%	0.744	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-59.7	-17.3	178	0	0	0	0	0	114.9	H130	H130-A132 VanDerWaalsContact C-N 3.27Å; H130-A132 WeakPolarHBondContact ND1-CB 3.47Å; H130-A132 PolarHBondContact ND1-N 3.15Å; H130-A132 PolarHBondContact O-N 2.71Å; H130-A132 VanDerWaalsContact O-N 3.14Å
133	G	84.8	Confident	92.9	Very high	44 Å²	44	36.7 Å²	36.7	45%	0.454	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-88.9	3.4	177.1	0	0	0	0	0	114.5	H130 P131	H130-G133 PolarHBondContact O-N 2.91Å; P131-G133 PolarHBondContact O-N 2.96Å
134	D	90.7	Very high	93	Very high	72 Å²	72	36.3 Å²	36.3	39%	0.385	21%	0.213	S	C	.	.			trans	49.5	54.5	-170.7	-171.5	16.1	0	0	0	112.4	P131 G136 S137 K139	P131-D134 PolarHBondContact O-N 3.19Å; D134-G136 VanDerWaalsContact C-N 3.3Å; D134-G136 PolarHBondContact O-N 3.2Å; D134-S137 WeakPolarHBondContact O-CB 3.42Å; D134-S137 PolarHBondContact O-N 3.39Å; D134-S137 PolarHBondContact O-OG 2.62Å; D134-S137 WeakPolarHBondContact OD2-CB 3.29Å; D134-S137 PolarHBondContact OD2-OG 2.9Å; D134-K139 IonicContact OD2-NZ 3.84Å; D134-K139 PolarHBondContact OD2-NZ 2.94Å
135	P	93.7	Very high	92.9	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.039	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-18.4	-160.6	29.4	-38.6	0	0	0	114.7	W129 H130 P131 S142 S143 M144	W129-P135 HydrophobicContact CD2-CB 3.56Å; W129-P135 HydrophobicContact CD2-CG 3.52Å; W129-P135 HydrophobicContact CE3-CB 3.61Å; W129-P135 HydrophobicContact CE3-CG 4.01Å; W129-P135 HydrophobicContact CG-CB 4.11Å; W129-P135 HydrophobicContact CG-CG 4.01Å; W129-P135 HydrophobicContact CH2-CB 4.06Å; W129-P135 HydrophobicContact CH2-CG 3.91Å; W129-P135 HydrophobicContact CZ2-CB 4.06Å; W129-P135 HydrophobicContact CZ2-CG 3.45Å; W129-P135 VanDerWaalsContact CZ2-CG 3.45Å; W129-P135 HydrophobicContact CZ3-CB 3.84Å; W129-P135 HydrophobicContact CZ3-CG 4.17Å; H130-P135 WeakPolarHBondContact O-CD 3.27Å; H130-P135 WeakPolarHBondContact O-CG 3.36Å; P131-P135 WeakPolarHBondContact O-CD 3.48Å; P135-S142 WeakPolarHBondContact O-CB 3.28Å; P135-S143 WeakPolarHBondContact CB-OG 3.32Å; P135-S143 PolarHBondContact O-N 3.04Å; P135-M144 VanDerWaalsContact O-CB 3.29Å; P135-M144 WeakPolarHBondContact O-CB 3.49Å; P135-M144 PolarHBondContact O-N 3.29Å
136	G	93.5	Very high	92.9	Very high	6 Å²	6	37.4 Å²	37.4	6%	0.062	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-8.8	176.5	0	0	0	0	0	115	D134 K178	D134-G136 VanDerWaalsContact C-N 3.3Å; D134-G136 PolarHBondContact O-N 3.2Å; G136-K178 PolarHBondContact O-NZ 3.39Å
137	S	94.1	Very high	93	Very high	20 Å²	20	37.4 Å²	37.4	14%	0.14	22%	0.218	C	C	.	.	S	Bend	trans	-71	172.9	-176.7	68.5	0	0	0	0	113.8	D134 K139 S142	D134-S137 WeakPolarHBondContact O-CB 3.42Å; D134-S137 PolarHBondContact O-N 3.39Å; D134-S137 PolarHBondContact O-OG 2.62Å; D134-S137 WeakPolarHBondContact OD2-CB 3.29Å; D134-S137 PolarHBondContact OD2-OG 2.9Å; S137-K139 VanDerWaalsContact C-N 3.28Å; S137-K139 PolarHBondContact OG-N 3.36Å; S137-S142 WeakPolarHBondContact O-CB 3.31Å; S137-S142 PolarHBondContact O-OG 3.17Å
138	D	92.6	Very high	92.9	Very high	123 Å²	123	37.9 Å²	37.9	66%	0.658	22%	0.222	S	C	*	.	S	Bend	trans	-87.8	9.8	172.8	-63.1	-55	0	0	0	113.5	K178	D138-K178 WeakPolarHBondContact OD1-CE 2.65Å; D138-K178 IonicContact OD1-NZ 3.88Å; D138-K178 PolarHBondContact OD1-NZ 2.99Å; D138-K178 IonicContact OD2-NZ 2.97Å; D138-K178 PolarHBondContact OD2-NZ 3.43Å
139	K	91.1	Very high	92.8	Very high	111 Å²	111	36.7 Å²	36.7	48%	0.483	21%	0.214	S	C	.	.	S	Bend	trans	-64	140.4	173.5	-67.6	171	-179.2	153.8	0	109.6	D134 S137 T141 S142 M145	D134-K139 IonicContact OD2-NZ 3.84Å; D134-K139 PolarHBondContact OD2-NZ 2.94Å; S137-K139 VanDerWaalsContact C-N 3.28Å; S137-K139 PolarHBondContact OG-N 3.36Å; K139-T141 PolarHBondContact O-N 3.14Å; K139-S142 VanDerWaalsContact O-CB 3.3Å; K139-S142 WeakPolarHBondContact O-CB 3.36Å; K139-S142 PolarHBondContact O-N 3.11Å; K139-S142 PolarHBondContact O-OG 2.89Å; K139-S142 VanDerWaalsContact O-OG 3.14Å; K139-M145 WeakPolarHBondContact O-CB 3.37Å; K139-M145 VanDerWaalsContact O-CG 3.29Å; K139-M145 WeakPolarHBondContact O-CG 3.16Å
140	E	88.8	Confident	92.8	Very high	62 Å²	62	36 Å²	36	29%	0.29	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-23.4	176	67.1	-164.2	161.4	0	0	114.2	A104 I146 F440	A104-E140 WeakPolarHBondContact CA-OE1 3.28Å; A104-E140 VanDerWaalsContact CB-CD 3.49Å; A104-E140 WeakPolarHBondContact CB-OE1 3.36Å; E140-I146 WeakPolarHBondContact O-CD1 3.48Å; E140-F440 HydrophobicContact CB-CB 4.36Å; E140-F440 HydrophobicContact CB-CD1 3.21Å; E140-F440 HydrophobicContact CB-CD2 4.02Å; E140-F440 HydrophobicContact CB-CE1 3.26Å; E140-F440 HydrophobicContact CB-CE2 4.08Å; E140-F440 HydrophobicContact CB-CG 3.6Å; E140-F440 HydrophobicContact CB-CZ 3.71Å; E140-F440 HydrophobicContact CG-CD1 4.41Å; E140-F440 HydrophobicContact CG-CG 4.48Å; E140-F440 WeakPolarHBondContact OE2-CB 3.43Å; E140-F440 WeakPolarHBondContact OE2-CG 3.45Å
141	T	93.3	Very high	93	Very high	31 Å²	31	31.3 Å²	31.3	19%	0.19	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-1.4	177.8	52	0	0	0	0	113.6	P100 P101 K139	P100-T141 VanDerWaalsContact CB-O 3.24Å; P100-T141 WeakPolarHBondContact CB-O 3.5Å; P101-T141 WeakPolarHBondContact O-CB 3.43Å; P101-T141 WeakPolarHBondContact O-CG2 3.46Å; K139-T141 PolarHBondContact O-N 3.14Å
142	S	96.8	Very high	93.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-75.9	148.6	-178.6	85.2	0	0	0	0	111.6	P135 S137 K139 M144 M145 I146	P135-S142 WeakPolarHBondContact O-CB 3.28Å; S137-S142 WeakPolarHBondContact O-CB 3.31Å; S137-S142 PolarHBondContact O-OG 3.17Å; K139-S142 VanDerWaalsContact O-CB 3.3Å; K139-S142 WeakPolarHBondContact O-CB 3.36Å; K139-S142 PolarHBondContact O-N 3.11Å; K139-S142 PolarHBondContact O-OG 2.89Å; K139-S142 VanDerWaalsContact O-OG 3.14Å; S142-M144 PolarHBondContact O-N 3.12Å; S142-M145 PolarHBondContact O-N 3.27Å; S142-M145 WeakPolarHBondContact OG-CG 3.14Å; S142-M145 PolarHBondContact OG-N 3.3Å; S142-M145 VanDerWaalsContact OG-N 3.09Å; S142-I146 WeakPolarHBondContact O-CG1 3.36Å; S142-I146 PolarHBondContact O-N 2.86Å
143	S	97.8	Very high	93.4	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-55.2	-40.9	174.2	-56.2	0	0	0	0	111.7	P100 T128 P135 A147	P100-S143 WeakPolarHBondContact CG-OG 3.28Å; T128-S143 WeakPolarHBondContact O-CB 3.45Å; T128-S143 PolarHBondContact O-OG 3.4Å; P135-S143 WeakPolarHBondContact CB-OG 3.32Å; P135-S143 PolarHBondContact O-N 3.04Å; S143-A147 VanDerWaalsContact O-CB 3.3Å; S143-A147 WeakPolarHBondContact O-CB 3.48Å; S143-A147 PolarHBondContact O-N 3.23Å
144	M	97.4	Very high	93.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-47	179	-170.9	69.1	70.1	0	0	112.1	W129 P135 S142 S148 L160 H175 K178 A179 L182 L184	W129-M144 HydrophobicContact CZ3-CE 4.23Å; P135-M144 VanDerWaalsContact O-CB 3.29Å; P135-M144 WeakPolarHBondContact O-CB 3.49Å; P135-M144 PolarHBondContact O-N 3.29Å; S142-M144 PolarHBondContact O-N 3.12Å; M144-S148 WeakPolarHBondContact O-CB 3.36Å; M144-S148 PolarHBondContact O-N 3.33Å; M144-L160 HydrophobicContact CE-CD2 3.9Å; M144-L160 HydrophobicContact SD-CD2 3.78Å; M144-H175 HydrophobicContact CE-CB 4.26Å; M144-H175 WeakPolarHBondContact CE-O 3.18Å; M144-K178 HydrophobicContact CE-CB 4.37Å; M144-K178 HydrophobicContact CE-CD 4.48Å; M144-K178 HydrophobicContact CE-CG 4.44Å; M144-K178 HydrophobicContact CG-CD 4.14Å; M144-K178 HydrophobicContact CG-CG 4.28Å; M144-K178 HydrophobicContact SD-CG 4.31Å; M144-A179 HydrophobicContact CE-CB 4.19Å; M144-A179 HydrophobicContact SD-CB 3.96Å; M144-L182 HydrophobicContact CG-CD1 3.76Å; M144-L182 HydrophobicContact SD-CD1 4.04Å; M144-L184 HydrophobicContact SD-CD1 4.11Å
145	M	95.6	Very high	93.6	Very high	28 Å²	28	23.7 Å²	23.7	14%	0.138	13%	0.131	C	C	.	.	H	α-helix	trans	-72.8	-37.3	-178.5	-69.7	-57.7	100.9	0	0	112.5	K139 S142 T149 L182	K139-M145 WeakPolarHBondContact O-CB 3.37Å; K139-M145 VanDerWaalsContact O-CG 3.29Å; K139-M145 WeakPolarHBondContact O-CG 3.16Å; S142-M145 PolarHBondContact O-N 3.27Å; S142-M145 WeakPolarHBondContact OG-CG 3.14Å; S142-M145 PolarHBondContact OG-N 3.3Å; S142-M145 VanDerWaalsContact OG-N 3.09Å; M145-T149 WeakPolarHBondContact O-CB 3.37Å; M145-T149 PolarHBondContact O-N 3Å; M145-T149 PolarHBondContact O-OG1 3.27Å; M145-L182 HydrophobicContact CE-CD1 3.54Å
146	I	96.9	Very high	93.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.7	-46.6	174.7	-64.9	-63	0	0	0	110.8	A107 L110 I111 F114 V127 E140 S142 T149 A150	A107-I146 HydrophobicContact CB-CD1 4Å; L110-I146 HydrophobicContact CD2-CD1 4.5Å; L110-I146 HydrophobicContact CD2-CG2 3.86Å; I111-I146 HydrophobicContact CD1-CD1 4.32Å; F114-I146 HydrophobicContact CE2-CG2 3.87Å; F114-I146 HydrophobicContact CZ-CG2 3.78Å; V127-I146 HydrophobicContact CG1-CB 4.26Å; V127-I146 HydrophobicContact CG1-CG2 4.04Å; V127-I146 HydrophobicContact CG2-CG2 4.07Å; E140-I146 WeakPolarHBondContact O-CD1 3.48Å; S142-I146 WeakPolarHBondContact O-CG1 3.36Å; S142-I146 PolarHBondContact O-N 2.86Å; I146-T149 PolarHBondContact O-N 3.48Å; I146-A150 PolarHBondContact O-N 3.47Å
147	A	97.6	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.1	-42.6	178	0	0	0	0	0	112.3	V127 S143 T149 A150 V151 T158 L160 L184	V127-A147 HydrophobicContact CB-CB 4.12Å; V127-A147 HydrophobicContact CG2-CB 3.98Å; S143-A147 VanDerWaalsContact O-CB 3.3Å; S143-A147 WeakPolarHBondContact O-CB 3.48Å; S143-A147 PolarHBondContact O-N 3.23Å; A147-T149 VanDerWaalsContact C-N 3.26Å; A147-T149 PolarHBondContact O-N 3.17Å; A147-A150 PolarHBondContact O-N 3.17Å; A147-V151 PolarHBondContact O-N 3.16Å; A147-V151 VanDerWaalsContact O-N 3.15Å; A147-T158 HydrophobicContact CB-CG2 3.98Å; A147-L160 HydrophobicContact CB-CB 4.38Å; A147-L160 HydrophobicContact CB-CD1 3.97Å; A147-L184 HydrophobicContact CB-CD1 4.13Å; A147-L184 HydrophobicContact CB-CD2 3.95Å
148	S	95.6	Very high	93.9	Very high	10 Å²	10	24 Å²	24	7%	0.07	13%	0.129	C	C	.	.	H	α-helix	trans	-58.3	-40.3	172.8	176.9	0	0	0	0	111.6	M144 V151 N152	M144-S148 WeakPolarHBondContact O-CB 3.36Å; M144-S148 PolarHBondContact O-N 3.33Å; S148-V151 PolarHBondContact O-N 3.25Å; S148-N152 VanDerWaalsContact O-CB 3.31Å; S148-N152 WeakPolarHBondContact O-CB 3.42Å; S148-N152 PolarHBondContact O-N 3.27Å; S148-N152 PolarHBondContact O-ND2 2.87Å; S148-N152 PolarHBondContact OG-ND2 3.22Å; S148-N152 VanDerWaalsContact OG-ND2 3.08Å
149	T	93.3	Very high	94.1	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.025	10%	0.097	C	C	.	.	H	α-helix	trans	-66.3	-41.4	179	-60.3	0	0	0	0	111.7	I111 M145 I146 A147 V151 Y153 C154	I111-T149 HydrophobicContact CD1-CG2 3.39Å; I111-T149 HydrophobicContact CG1-CG2 3.79Å; I111-T149 HydrophobicContact CG2-CG2 4.06Å; M145-T149 WeakPolarHBondContact O-CB 3.37Å; M145-T149 PolarHBondContact O-N 3Å; M145-T149 PolarHBondContact O-OG1 3.27Å; I146-T149 PolarHBondContact O-N 3.48Å; A147-T149 VanDerWaalsContact C-N 3.26Å; A147-T149 PolarHBondContact O-N 3.17Å; T149-V151 VanDerWaalsContact C-N 3.33Å; T149-V151 PolarHBondContact O-N 3.02Å; T149-Y153 HydrophobicContact CG2-CD2 3.86Å; T149-Y153 WeakPolarHBondContact O-CB 3.4Å; T149-Y153 PolarHBondContact O-N 3.42Å; T149-C154 PolarHBondContact O-N 3.08Å
150	A	94.6	Very high	94.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.6	-43.6	175.6	0	0	0	0	0	112	F114 I146 A147 C154 G155 L156 T158	F114-A150 HydrophobicContact CD2-CB 4.03Å; F114-A150 HydrophobicContact CE2-CB 3.88Å; I146-A150 PolarHBondContact O-N 3.47Å; A147-A150 PolarHBondContact O-N 3.17Å; A150-C154 CarbonylContact O-C 3.55Å; A150-C154 WeakPolarHBondContact O-CB 3.3Å; A150-C154 PolarHBondContact O-N 2.9Å; A150-G155 PolarHBondContact O-N 2.97Å; A150-G155 VanDerWaalsContact O-N 3.13Å; A150-L156 PolarHBondContact O-N 2.99Å; A150-T158 HydrophobicContact CB-CG2 4.28Å; A150-T158 WeakPolarHBondContact CB-OG1 3.1Å
151	V	94.3	Very high	94.9	Very high	6 Å²	6	10.4 Å²	10.4	4%	0.036	6%	0.063	C	C	.	.	H	α-helix	trans	-69.3	-54.2	177.7	173.1	0	0	0	0	111.9	A147 S148 T149 L184 A387	A147-V151 PolarHBondContact O-N 3.16Å; A147-V151 VanDerWaalsContact O-N 3.15Å; S148-V151 PolarHBondContact O-N 3.25Å; T149-V151 VanDerWaalsContact C-N 3.33Å; T149-V151 PolarHBondContact O-N 3.02Å; V151-L184 HydrophobicContact CG2-CD2 3.73Å; V151-A387 HydrophobicContact CG1-CB 4.1Å; V151-A387 PolarHBondContact O-N 2.93Å; V151-A387 VanDerWaalsContact O-N 3.11Å
152	N	90.1	Very high	95.1	Very high	20 Å²	20	9 Å²	9	11%	0.107	5%	0.054	C	C	.	.	H	α-helix	trans	-77.2	-42	-167	-73.1	-58.8	0	0	0	112	S148 L182 S386 H388 I409	S148-N152 VanDerWaalsContact O-CB 3.31Å; S148-N152 WeakPolarHBondContact O-CB 3.42Å; S148-N152 PolarHBondContact O-N 3.27Å; S148-N152 PolarHBondContact O-ND2 2.87Å; S148-N152 PolarHBondContact OG-ND2 3.22Å; S148-N152 VanDerWaalsContact OG-ND2 3.08Å; N152-L182 PolarHBondContact ND2-O 3.39Å; N152-S386 PolarHBondContact O-OG 3.42Å; N152-S386 VanDerWaalsContact O-OG 3.08Å; N152-H388 WeakPolarHBondContact OD1-CB 3.28Å; N152-H388 PolarHBondContact OD1-CD2 2.76Å; N152-I409 WeakPolarHBondContact O-CD1 3.47Å
153	Y	88.3	Confident	95	Very high	24 Å²	24	9.4 Å²	9.4	9%	0.094	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-29.5	-169.7	-60.8	-65.8	0	0	0	114.3	T149 K406 I409 Y441	T149-Y153 HydrophobicContact CG2-CD2 3.86Å; T149-Y153 WeakPolarHBondContact O-CB 3.4Å; T149-Y153 PolarHBondContact O-N 3.42Å; Y153-K406 HydrophobicContact CD1-CB 3.83Å; Y153-K406 HydrophobicContact CD1-CG 3.93Å; Y153-K406 HydrophobicContact CE1-CB 4.24Å; Y153-K406 WeakPolarHBondContact CE1-O 3.32Å; Y153-K406 HydrophobicContact CG-CG 4.3Å; Y153-I409 HydrophobicContact CD1-CB 4.08Å; Y153-I409 HydrophobicContact CD1-CD1 4.37Å; Y153-I409 HydrophobicContact CD1-CG2 4Å; Y153-I409 HydrophobicContact CE1-CB 3.87Å; Y153-I409 HydrophobicContact CE1-CG2 3.71Å; Y153-Y441 HydrophobicContact CD2-CD2 4.4Å; Y153-Y441 HydrophobicContact CE1-CD2 4.36Å; Y153-Y441 HydrophobicContact CE1-CE2 4.34Å; Y153-Y441 HydrophobicContact CE2-CD1 4.45Å; Y153-Y441 AromaticContact CE2-CD2 3.84Å; Y153-Y441 HydrophobicContact CE2-CD2 3.84Å; Y153-Y441 HydrophobicContact CE2-CE1 4.42Å; Y153-Y441 AromaticContact CE2-CE2 3.8Å; Y153-Y441 HydrophobicContact CE2-CE2 3.8Å; Y153-Y441 HydrophobicContact CE2-CG 4.18Å; Y153-Y441 AromaticContact CZ-CD2 3.82Å; Y153-Y441 AromaticContact CZ-CE2 3.54Å; Y153-Y441 WeakPolarHBondContact OH-CE2 3.15Å
154	C	89.4	Confident	94.5	Very high	16 Å²	16	9.3 Å²	9.3	11%	0.108	6%	0.056	C	C	.	.	S	Bend	trans	-97	-10.9	177.6	-58.4	0	0	0	0	113.2	F114 D115 T149 A150 L156	F114-C154 HydrophobicContact CB-CB 4.38Å; D115-C154 PolarHBondContact OD1-SG 3.46Å; T149-C154 PolarHBondContact O-N 3.08Å; A150-C154 CarbonylContact O-C 3.55Å; A150-C154 WeakPolarHBondContact O-CB 3.3Å; A150-C154 PolarHBondContact O-N 2.9Å; C154-L156 VanDerWaalsContact C-N 3.31Å; C154-L156 HydrophobicContact CB-CD1 3.76Å; C154-L156 HydrophobicContact CB-CG 4.03Å; C154-L156 PolarHBondContact O-N 3.09Å
155	G	90.8	Very high	93.8	Very high	28 Å²	28	9.3 Å²	9.3	29%	0.289	6%	0.056	S	C	.	.			trans	71.9	24.2	179.1	0	0	0	0	0	114.1	A150 V385	A150-G155 PolarHBondContact O-N 2.97Å; A150-G155 VanDerWaalsContact O-N 3.13Å; G155-V385 WeakPolarHBondContact CA-O 3.5Å
156	L	92.9	Very high	92.9	Very high	17 Å²	17	11.6 Å²	11.6	9%	0.089	7%	0.066	C	C	.	.			trans	-101.9	130.1	-172	-65.3	168.9	0	0	0	111.9	F114 A118 P122 L125 A150 C154 T158	F114-L156 HydrophobicContact CB-CD1 3.98Å; A118-L156 HydrophobicContact CB-CD1 4.11Å; A118-L156 HydrophobicContact CB-CD2 3.75Å; A118-L156 HydrophobicContact CB-CG 4.37Å; P122-L156 HydrophobicContact CG-CD2 4.39Å; L125-L156 HydrophobicContact CD1-CB 4.17Å; L125-L156 HydrophobicContact CD1-CD1 3.38Å; L125-L156 HydrophobicContact CD1-CG 4.29Å; L125-L156 HydrophobicContact CG-CB 4.3Å; L125-L156 HydrophobicContact CG-CD1 4.15Å; A150-L156 PolarHBondContact O-N 2.99Å; C154-L156 VanDerWaalsContact C-N 3.31Å; C154-L156 HydrophobicContact CB-CD1 3.76Å; C154-L156 HydrophobicContact CB-CG 4.03Å; C154-L156 PolarHBondContact O-N 3.09Å; L156-T158 PolarHBondContact O-N 3.09Å; L156-T158 PolarHBondContact O-OG1 3.29Å
157	E	95.8	Very high	92.1	Very high	21 Å²	21	12.4 Å²	12.4	10%	0.098	7%	0.07	C	C	.	.			trans	-59.2	119	167.1	-172.7	67.8	-107	0	0	108.5	L79 K82 L123 F124 L125 K185 N186	L79-E157 HydrophobicContact CD1-CG 4.08Å; K82-E157 IonicContact NZ-OE2 2.8Å; K82-E157 PolarHBondContact NZ-OE2 3.24Å; L123-E157 WeakPolarHBondContact O-CB 3.11Å; F124-E157 CarbonylContact C-O 3.5Å; F124-E157 WeakPolarHBondContact CA-O 3.43Å; F124-E157 HydrophobicContact CB-CB 4.2Å; F124-E157 HydrophobicContact CB-CG 3.96Å; F124-E157 WeakPolarHBondContact CB-O 3.39Å; L125-E157 PolarHBondContact N-O 2.75Å; E157-K185 WeakPolarHBondContact OE1-CE 3.25Å; E157-K185 IonicContact OE1-NZ 3Å; E157-K185 PolarHBondContact OE1-NZ 2.73Å; E157-K185 WeakPolarHBondContact OE2-CE 3.45Å; E157-K185 IonicContact OE2-NZ 3.89Å; E157-K185 PolarHBondContact OE2-NZ 2.65Å; E157-N186 PolarHBondContact OE1-ND2 2.89Å
158	T	97.9	Very high	91.6	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.3	-167.8	-54.8	0	0	0	0	111.6	L125 V127 A147 A150 L156 L184 N186	L125-T158 CarbonylContact O-C 3.57Å; L125-T158 VanDerWaalsContact O-CA 3.26Å; L125-T158 WeakPolarHBondContact O-CA 2.95Å; V127-T158 HydrophobicContact CG2-CG2 4.13Å; A147-T158 HydrophobicContact CB-CG2 3.98Å; A150-T158 HydrophobicContact CB-CG2 4.28Å; A150-T158 WeakPolarHBondContact CB-OG1 3.1Å; L156-T158 PolarHBondContact O-N 3.09Å; L156-T158 PolarHBondContact O-OG1 3.29Å; T158-L184 HydrophobicContact CG2-CD2 4.35Å; T158-N186 PolarHBondContact O-ND2 3.23Å
159	V	98.6	Very high	91.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.1	169.6	-170.9	0	0	0	0	108.8	L79 F124 L125 D126 V127 N186 M188	L79-V159 HydrophobicContact CD2-CG2 4.02Å; F124-V159 HydrophobicContact CD2-CG2 3.6Å; F124-V159 HydrophobicContact CE2-CG2 3.97Å; F124-V159 HydrophobicContact CG-CG2 4.33Å; L125-V159 PolarHBondContact O-N 2.82Å; D126-V159 WeakPolarHBondContact CA-O 3.28Å; D126-V159 WeakPolarHBondContact OD1-CB 3.42Å; D126-V159 VanDerWaalsContact OD1-CG2 3.24Å; D126-V159 WeakPolarHBondContact OD1-CG2 3.43Å; V127-V159 PolarHBondContact N-O 3.34Å; V159-N186 WeakPolarHBondContact CA-O 3.47Å; V159-N186 HydrophobicContact CB-CB 4.19Å; V159-N186 HydrophobicContact CG1-CB 4.24Å; V159-N186 HydrophobicContact CG2-CB 3.79Å; V159-M188 HydrophobicContact CG1-CB 3.93Å
160	L	98.7	Very high	91.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125	172.6	176.3	64.2	0	0	0	109.1	W129 M144 A147 V162 A179 L184 N186 I187 M188	W129-L160 HydrophobicContact CE3-CD1 4.11Å; W129-L160 HydrophobicContact CE3-CG 4.46Å; W129-L160 HydrophobicContact CZ3-CD2 4.37Å; M144-L160 HydrophobicContact CE-CD2 3.9Å; M144-L160 HydrophobicContact SD-CD2 3.78Å; A147-L160 HydrophobicContact CB-CB 4.38Å; A147-L160 HydrophobicContact CB-CD1 3.97Å; L160-V162 HydrophobicContact CD2-CG2 4.49Å; L160-V162 HydrophobicContact CG-CG2 4.36Å; L160-A179 HydrophobicContact CD2-CB 4.24Å; L160-L184 HydrophobicContact CB-CD1 4.15Å; L160-L184 HydrophobicContact CD2-CD1 3.77Å; L160-N186 PolarHBondContact N-O 3.39Å; L160-I187 HydrophobicContact CB-CD1 4.16Å; L160-I187 WeakPolarHBondContact O-CA 3.44Å; L160-M188 PolarHBondContact O-N 3.07Å
161	H	98.2	Very high	91.1	Very high	9 Å²	9	31.1 Å²	31.1	4%	0.042	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	143.4	171.1	-66.7	-160.4	0	0	0	109.5	E97 D126 V127 W129 M188 L190	E97-H161 IonicContact OE2-CE1 3.7Å; E97-H161 PolarHBondContact OE2-CE1 3.44Å; E97-H161 IonicContact OE2-NE2 3.36Å; D126-H161 IonicContact OD2-NE2 3.88Å; V127-H161 WeakPolarHBondContact O-CB 3.33Å; V127-H161 PolarHBondContact O-CD2 2.88Å; V127-H161 PolarHBondContact O-N 2.91Å; W129-H161 HydrophobicContact CB-CB 3.73Å; W129-H161 WeakPolarHBondContact CB-O 3.26Å; W129-H161 VanDerWaalsContact CE3-O 3.25Å; H161-M188 HydrophobicContact CB-CB 4.46Å; H161-M188 PolarHBondContact CE1-SD 2.83Å; H161-M188 PolarHBondContact NE2-SD 3.45Å; H161-M188 VanDerWaalsContact NE2-SD 3.36Å; H161-L190 HydrophobicContact CB-CD1 4.1Å
162	V	96.8	Very high	91.1	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	122.2	173	-179.5	0	0	0	0	108	L160 I187 M188 L190 L212	L160-V162 HydrophobicContact CD2-CG2 4.49Å; L160-V162 HydrophobicContact CG-CG2 4.36Å; V162-I187 HydrophobicContact CB-CG2 4.11Å; V162-I187 HydrophobicContact CG2-CD1 4.3Å; V162-I187 HydrophobicContact CG2-CG2 3.83Å; V162-M188 PolarHBondContact N-O 3.37Å; V162-L190 PolarHBondContact O-N 3.13Å; V162-L212 HydrophobicContact CB-CD2 4.35Å; V162-L212 HydrophobicContact CG1-CD2 4.15Å; V162-L212 WeakPolarHBondContact O-CD2 3.42Å
163	T	94.1	Very high	91.3	Very high	8 Å²	8	31.1 Å²	31.1	5%	0.049	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142.3	175.5	62.4	0	0	0	0	110.4	W129 Q167 L190	W129-T163 PolarHBondContact NE1-OG1 3.21Å; T163-Q167 PolarHBondContact O-OE1 2.92Å; T163-L190 WeakPolarHBondContact CA-O 3.48Å; T163-L190 HydrophobicContact CG2-CB 3.95Å; T163-L190 HydrophobicContact CG2-CD1 4.42Å
164	C	88.3	Confident	91.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.			trans	-104	2.5	-179	70.3	0	0	0	0	115.3	I172 L190 R191 F206 L212	C164-I172 HydrophobicContact CB-CD1 3.58Å; C164-L190 PolarHBondContact N-O 3.28Å; C164-L190 VanDerWaalsContact N-O 3.08Å; C164-R191 PolarHBondContact N-O 3.11Å; C164-F206 HydrophobicContact CB-CB 3.55Å; C164-F206 HydrophobicContact CB-CD2 3.94Å; C164-F206 HydrophobicContact CB-CG 3.88Å; C164-F206 VanDerWaalsContact SG-CB 3.58Å; C164-L212 HydrophobicContact CB-CB 4.13Å; C164-L212 HydrophobicContact CB-CD2 4.15Å
165	C	81.9	Confident	92.1	Very high	1 Å²	1	33 Å²	33	1%	0.007	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	133	176.7	61.3	0	0	0	0	111.8	Q167 R191 D193 W199	C165-Q167 PolarHBondContact O-N 3.35Å; C165-R191 VanDerWaalsContact CB-O 3.27Å; C165-R191 WeakPolarHBondContact CB-O 3.48Å; C165-R191 PolarHBondContact N-O 3.46Å; C165-D193 PolarHBondContact SG-O 3.19Å; C165-D193 VanDerWaalsContact SG-O 3.4Å; C165-W199 HydrophobicContact CB-CH2 4.02Å; C165-W199 HydrophobicContact CB-CZ3 4.04Å
166	Q	76.3	Confident	92.5	Very high	76 Å²	76	31.7 Å²	31.7	36%	0.355	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	41.3	176.6	-57.9	175.1	-1.7	0	0	113.2	V195	Q166-V195 VanDerWaalsContact OE1-CG2 3.31Å
167	Q	81.5	Confident	92.7	Very high	16 Å²	16	35.1 Å²	35.1	8%	0.075	17%	0.173	C	C	.	.			trans	-132.9	139.4	176.3	-69	-168.2	-8.6	0	0	110.5	T163 C165 I172	T163-Q167 PolarHBondContact O-OE1 2.92Å; C165-Q167 PolarHBondContact O-N 3.35Å; Q167-I172 HydrophobicContact CB-CD1 4.11Å; Q167-I172 HydrophobicContact CB-CG1 3.93Å
168	R	86.8	Confident	92.8	Very high	102 Å²	102	36.1 Å²	36.1	39%	0.385	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-78.8	152.5	175.4	-61.4	-178.4	-63.3	137	5	110.5	E170 E171 I172	R168-E170 IonicContact NH1-OE2 2.8Å; R168-E170 PolarHBondContact O-N 3.2Å; R168-E171 HydrophobicContact CB-CG 4.44Å; R168-E171 IonicContact CZ-OE1 2.8Å; R168-E171 PolarHBondContact N-OE2 2.99Å; R168-E171 VanDerWaalsContact N-OE2 3.14Å; R168-E171 IonicContact NE-OE1 2.8Å; R168-E171 PolarHBondContact NE-OE1 2.79Å; R168-E171 IonicContact NH2-OE1 2.7Å; R168-E171 PolarHBondContact NH2-OE1 2.88Å; R168-E171 PolarHBondContact O-N 3.37Å; R168-I172 PolarHBondContact O-N 2.96Å
169	Q	89.8	Confident	92.8	Very high	94 Å²	94	36.1 Å²	36.1	44%	0.439	18%	0.177	S	C	.	.	H	α-helix	trans	-53.5	-38.8	178.5	-171.1	178.6	5.6	0	0	113.3	E171 T173 F206 H215	Q169-E171 PolarHBondContact O-N 2.92Å; Q169-T173 WeakPolarHBondContact O-CB 3.27Å; Q169-T173 PolarHBondContact O-N 2.85Å; Q169-T173 PolarHBondContact O-OG1 2.98Å; Q169-F206 HydrophobicContact CB-CE2 4.27Å; Q169-F206 HydrophobicContact CB-CZ 4.26Å; Q169-F206 HydrophobicContact CG-CE2 4.44Å; Q169-F206 HydrophobicContact CG-CZ 3.98Å; Q169-H215 VanDerWaalsContact CG-CE1 3.41Å; Q169-H215 WeakPolarHBondContact CG-CE1 3.27Å; Q169-H215 PolarHBondContact NE2-CE1 3.09Å; Q169-H215 PolarHBondContact NE2-ND1 2.81Å
170	E	91.5	Very high	92.7	Very high	143 Å²	143	40.3 Å²	40.3	67%	0.668	20%	0.195	S	C	*	.	H	α-helix	trans	-62.6	-40	178.2	-64.3	176.6	169.6	0	0	112.5	R168 T173 G174	R168-E170 IonicContact NH1-OE2 2.8Å; R168-E170 PolarHBondContact O-N 3.2Å; E170-T173 PolarHBondContact O-N 2.91Å; E170-G174 PolarHBondContact O-N 3.4Å
171	E	91.3	Very high	92.5	Very high	69 Å²	69	47.5 Å²	47.5	32%	0.322	23%	0.229	S	C	.	.	H	α-helix	trans	-68.6	-46.3	-178.6	-68.4	163.7	-178.4	0	0	110.9	R168 Q169 T173 G174 H175	R168-E171 HydrophobicContact CB-CG 4.44Å; R168-E171 IonicContact CZ-OE1 2.8Å; R168-E171 PolarHBondContact N-OE2 2.99Å; R168-E171 VanDerWaalsContact N-OE2 3.14Å; R168-E171 IonicContact NE-OE1 2.8Å; R168-E171 PolarHBondContact NE-OE1 2.79Å; R168-E171 IonicContact NH2-OE1 2.7Å; R168-E171 PolarHBondContact NH2-OE1 2.88Å; R168-E171 PolarHBondContact O-N 3.37Å; Q169-E171 PolarHBondContact O-N 2.92Å; E171-T173 VanDerWaalsContact C-N 3.31Å; E171-T173 PolarHBondContact O-N 3.35Å; E171-G174 PolarHBondContact O-N 3.48Å; E171-H175 PolarHBondContact O-N 2.92Å; E171-H175 PolarHBondContact O-ND1 3.01Å
172	I	93.1	Very high	92.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-43.6	174.8	-60.3	-155.5	0	0	0	110.5	C164 Q167 R168 G174 H175 L176 F206 L212	C164-I172 HydrophobicContact CB-CD1 3.58Å; Q167-I172 HydrophobicContact CB-CD1 4.11Å; Q167-I172 HydrophobicContact CB-CG1 3.93Å; R168-I172 PolarHBondContact O-N 2.96Å; I172-G174 VanDerWaalsContact C-N 3.33Å; I172-G174 PolarHBondContact O-N 2.88Å; I172-H175 PolarHBondContact O-N 2.92Å; I172-L176 HydrophobicContact CG2-CD1 3.84Å; I172-L176 HydrophobicContact CG2-CG 4.26Å; I172-L176 VanDerWaalsContact O-CG 3.28Å; I172-L176 WeakPolarHBondContact O-CG 3.29Å; I172-L176 PolarHBondContact O-N 3.19Å; I172-F206 HydrophobicContact CB-CE2 4.03Å; I172-F206 HydrophobicContact CD1-CD2 3.37Å; I172-F206 HydrophobicContact CD1-CE2 3.34Å; I172-F206 HydrophobicContact CD1-CG 4.41Å; I172-F206 HydrophobicContact CD1-CZ 4.38Å; I172-F206 HydrophobicContact CG1-CD2 4.23Å; I172-F206 HydrophobicContact CG1-CE2 3.82Å; I172-F206 HydrophobicContact CG2-CE2 4.41Å; I172-L212 HydrophobicContact CD1-CD1 4.14Å; I172-L212 HydrophobicContact CG2-CD1 3.52Å
173	T	95.9	Very high	92.2	Very high	25 Å²	25	49.3 Å²	49.3	15%	0.153	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-43.1	177.7	-56.1	0	0	0	0	111.4	Q169 E170 E171 L176 H177 H215	Q169-T173 WeakPolarHBondContact O-CB 3.27Å; Q169-T173 PolarHBondContact O-N 2.85Å; Q169-T173 PolarHBondContact O-OG1 2.98Å; E170-T173 PolarHBondContact O-N 2.91Å; E171-T173 VanDerWaalsContact C-N 3.31Å; E171-T173 PolarHBondContact O-N 3.35Å; T173-L176 PolarHBondContact O-N 3.41Å; T173-H177 PolarHBondContact O-CD2 2.75Å; T173-H177 PolarHBondContact O-N 3.47Å; T173-H215 PolarHBondContact OG1-CE1 3.25Å; T173-H215 VanDerWaalsContact OG1-CE1 3.27Å; T173-H215 PolarHBondContact OG1-NE2 3.37Å
174	G	96.9	Very high	92.4	Very high	39 Å²	39	49 Å²	49	40%	0.402	24%	0.236	S	C	.	.	H	α-helix	trans	-59.1	-46.1	173.3	0	0	0	0	0	112.8	E170 E171 I172 L176 H177 K178	E170-G174 PolarHBondContact O-N 3.4Å; E171-G174 PolarHBondContact O-N 3.48Å; I172-G174 VanDerWaalsContact C-N 3.33Å; I172-G174 PolarHBondContact O-N 2.88Å; G174-L176 PolarHBondContact O-N 2.93Å; G174-H177 PolarHBondContact O-N 3.21Å; G174-K178 WeakPolarHBondContact O-CB 3.28Å; G174-K178 PolarHBondContact O-N 2.91Å
175	H	97.2	Very high	92.8	Very high	41 Å²	41	49.9 Å²	49.9	19%	0.19	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-42.8	175.6	-64.6	150.3	0	0	0	112.4	W129 M144 E171 I172 K178 A179	W129-H175 HydrophobicContact CH2-CB 4.24Å; W129-H175 AromaticContact CH2-CG 3.8Å; W129-H175 AromaticContact CH2-ND1 3.7Å; W129-H175 AromaticContact CZ2-CE1 3.81Å; W129-H175 AromaticContact CZ2-ND1 3.58Å; M144-H175 HydrophobicContact CE-CB 4.26Å; M144-H175 WeakPolarHBondContact CE-O 3.18Å; E171-H175 PolarHBondContact O-N 2.92Å; E171-H175 PolarHBondContact O-ND1 3.01Å; I172-H175 PolarHBondContact O-N 2.92Å; H175-K178 PolarHBondContact O-N 3.24Å; H175-A179 WeakPolarHBondContact O-CB 3.24Å; H175-A179 PolarHBondContact O-N 3.48Å
176	L	98.1	Very high	93.6	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-67.6	-39.9	179.3	-68.4	168.9	0	0	0	112.2	I172 T173 G174 A179 K180 I187 I216 F220 F224	I172-L176 HydrophobicContact CG2-CD1 3.84Å; I172-L176 HydrophobicContact CG2-CG 4.26Å; I172-L176 VanDerWaalsContact O-CG 3.28Å; I172-L176 WeakPolarHBondContact O-CG 3.29Å; I172-L176 PolarHBondContact O-N 3.19Å; T173-L176 PolarHBondContact O-N 3.41Å; G174-L176 PolarHBondContact O-N 2.93Å; L176-A179 PolarHBondContact O-N 3.31Å; L176-K180 WeakPolarHBondContact O-CB 3.32Å; L176-K180 PolarHBondContact O-N 2.91Å; L176-I187 HydrophobicContact CD2-CD1 4.31Å; L176-I187 HydrophobicContact CD2-CG1 4.22Å; L176-I216 HydrophobicContact CD1-CG1 3.67Å; L176-I216 HydrophobicContact CD2-CD1 4.31Å; L176-I216 HydrophobicContact CD2-CG1 4.07Å; L176-F220 HydrophobicContact CB-CD2 4.34Å; L176-F220 HydrophobicContact CB-CE1 4.28Å; L176-F220 HydrophobicContact CB-CE2 3.49Å; L176-F220 VanDerWaalsContact CB-CE2 3.49Å; L176-F220 HydrophobicContact CB-CZ 3.46Å; L176-F220 VanDerWaalsContact CB-CZ 3.46Å; L176-F220 HydrophobicContact CD1-CD2 4.19Å; L176-F220 HydrophobicContact CD1-CE2 3.67Å; L176-F220 HydrophobicContact CD1-CZ 4.48Å; L176-F220 HydrophobicContact CG-CE2 4.22Å; L176-F224 HydrophobicContact CD2-CE2 4.41Å
177	H	98.1	Very high	94.6	Very high	89 Å²	89	46.3 Å²	46.3	41%	0.412	22%	0.224	S	C	.	.	H	α-helix	trans	-61	-45.2	172.5	-82.9	-63.3	0	0	0	111.7	T173 G174 K180 Q181 F220	T173-H177 PolarHBondContact O-CD2 2.75Å; T173-H177 PolarHBondContact O-N 3.47Å; G174-H177 PolarHBondContact O-N 3.21Å; H177-K180 PolarHBondContact O-N 3.43Å; H177-Q181 WeakPolarHBondContact O-CG 3.31Å; H177-Q181 PolarHBondContact O-N 3.08Å; H177-F220 AromaticContact CD2-CZ 3.97Å; H177-F220 AromaticContact CE1-CE1 3.76Å; H177-F220 AromaticContact CE1-CZ 3.89Å; H177-F220 AromaticContact CG-CZ 3.99Å; H177-F220 AromaticContact ND1-CE1 3.67Å; H177-F220 AromaticContact ND1-CZ 3.95Å; H177-F220 AromaticContact NE2-CZ 3.92Å
178	K	97.8	Very high	95.4	Very high	42 Å²	42	46 Å²	46	18%	0.183	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-45.4	176.8	-174.8	173.4	-178.9	177.8	0	111.6	G136 D138 M144 G174 H175 K180 Q181 L182	G136-K178 PolarHBondContact O-NZ 3.39Å; D138-K178 WeakPolarHBondContact OD1-CE 2.65Å; D138-K178 IonicContact OD1-NZ 3.88Å; D138-K178 PolarHBondContact OD1-NZ 2.99Å; D138-K178 IonicContact OD2-NZ 2.97Å; D138-K178 PolarHBondContact OD2-NZ 3.43Å; M144-K178 HydrophobicContact CE-CB 4.37Å; M144-K178 HydrophobicContact CE-CD 4.48Å; M144-K178 HydrophobicContact CE-CG 4.44Å; M144-K178 HydrophobicContact CG-CD 4.14Å; M144-K178 HydrophobicContact CG-CG 4.28Å; M144-K178 HydrophobicContact SD-CG 4.31Å; G174-K178 WeakPolarHBondContact O-CB 3.28Å; G174-K178 PolarHBondContact O-N 2.91Å; H175-K178 PolarHBondContact O-N 3.24Å; K178-K180 VanDerWaalsContact C-N 3.34Å; K178-K180 PolarHBondContact O-N 3.05Å; K178-Q181 PolarHBondContact O-N 3.18Å; K178-L182 HydrophobicContact CG-CD1 3.91Å; K178-L182 WeakPolarHBondContact O-CG 3.31Å; K178-L182 PolarHBondContact O-N 3.19Å
179	A	98	Very high	96	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-57.3	-47.6	176.4	0	0	0	0	0	111.4	M144 L160 H175 L176 Q181 L182 G183 L184 I187	M144-A179 HydrophobicContact CE-CB 4.19Å; M144-A179 HydrophobicContact SD-CB 3.96Å; L160-A179 HydrophobicContact CD2-CB 4.24Å; H175-A179 WeakPolarHBondContact O-CB 3.24Å; H175-A179 PolarHBondContact O-N 3.48Å; L176-A179 PolarHBondContact O-N 3.31Å; A179-Q181 PolarHBondContact O-N 3.25Å; A179-L182 PolarHBondContact O-N 2.8Å; A179-G183 PolarHBondContact O-N 3.14Å; A179-L184 HydrophobicContact CB-CB 4.13Å; A179-L184 HydrophobicContact CB-CD1 3.9Å; A179-L184 WeakPolarHBondContact O-CB 3.38Å; A179-L184 PolarHBondContact O-N 3.33Å; A179-I187 HydrophobicContact CB-CD1 4.49Å
180	K	97	Very high	96.2	Very high	87 Å²	87	38.1 Å²	38.1	38%	0.378	19%	0.191	S	C	.	.	H	α-helix	trans	-59.6	-44.9	175.5	172.7	168	-174.3	-165.1	0	112.5	L176 H177 K178 L182 G183 F220 Y223 F224	L176-K180 WeakPolarHBondContact O-CB 3.32Å; L176-K180 PolarHBondContact O-N 2.91Å; H177-K180 PolarHBondContact O-N 3.43Å; K178-K180 VanDerWaalsContact C-N 3.34Å; K178-K180 PolarHBondContact O-N 3.05Å; K180-L182 VanDerWaalsContact C-N 3.29Å; K180-L182 PolarHBondContact O-N 3.04Å; K180-G183 PolarHBondContact O-N 3.34Å; K180-G183 VanDerWaalsContact O-N 3.1Å; K180-F220 HydrophobicContact CD-CD1 4.19Å; K180-F220 HydrophobicContact CD-CE1 4.41Å; K180-Y223 HydrophobicContact CB-CD1 4.47Å; K180-Y223 HydrophobicContact CB-CE1 3.81Å; K180-Y223 HydrophobicContact CD-CD1 3.89Å; K180-Y223 HydrophobicContact CD-CD2 4.3Å; K180-Y223 HydrophobicContact CD-CE1 3.79Å; K180-Y223 HydrophobicContact CD-CE2 4.19Å; K180-Y223 HydrophobicContact CD-CG 4.17Å; K180-Y223 HydrophobicContact CG-CD1 4.17Å; K180-Y223 HydrophobicContact CG-CE1 3.54Å; K180-Y223 HydrophobicContact CG-CE2 4.18Å; K180-F224 HydrophobicContact CB-CZ 3.87Å
181	Q	94.4	Very high	96.3	Very high	153 Å²	153	33.7 Å²	33.7	72%	0.715	17%	0.168	S	C	*	.	H	α-helix	trans	-62.4	-36.4	178.9	-77.4	178.5	-3.9	0	0	112.5	H177 K178 A179 G183	H177-Q181 WeakPolarHBondContact O-CG 3.31Å; H177-Q181 PolarHBondContact O-N 3.08Å; K178-Q181 PolarHBondContact O-N 3.18Å; A179-Q181 PolarHBondContact O-N 3.25Å; Q181-G183 PolarHBondContact O-N 3.25Å
182	L	94.1	Very high	95.9	Very high	46 Å²	46	31.1 Å²	31.1	24%	0.241	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	1.3	176.8	-64.9	170.7	0	0	0	113.6	M144 M145 N152 K178 A179 K180	M144-L182 HydrophobicContact CG-CD1 3.76Å; M144-L182 HydrophobicContact SD-CD1 4.04Å; M145-L182 HydrophobicContact CE-CD1 3.54Å; N152-L182 PolarHBondContact ND2-O 3.39Å; K178-L182 HydrophobicContact CG-CD1 3.91Å; K178-L182 WeakPolarHBondContact O-CG 3.31Å; K178-L182 PolarHBondContact O-N 3.19Å; A179-L182 PolarHBondContact O-N 2.8Å; K180-L182 VanDerWaalsContact C-N 3.29Å; K180-L182 PolarHBondContact O-N 3.04Å
183	G	94.7	Very high	95.2	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	5.6	176.3	0	0	0	0	0	115.6	A179 K180 Q181 H388 P389	A179-G183 PolarHBondContact O-N 3.14Å; K180-G183 PolarHBondContact O-N 3.34Å; K180-G183 VanDerWaalsContact O-N 3.1Å; Q181-G183 PolarHBondContact O-N 3.25Å; G183-H388 VanDerWaalsContact CA-CD2 3.48Å; G183-H388 WeakPolarHBondContact CA-CD2 3.31Å; G183-H388 WeakPolarHBondContact CA-NE2 3.44Å; G183-P389 VanDerWaalsContact O-CD 3.31Å; G183-P389 WeakPolarHBondContact O-CD 3.34Å
184	L	97.3	Very high	94	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.191	C	C	.	.			trans	-67.2	139.4	172.5	-68.4	160.8	0	0	0	109.8	M144 A147 V151 T158 L160 A179 Y223 F224	M144-L184 HydrophobicContact SD-CD1 4.11Å; A147-L184 HydrophobicContact CB-CD1 4.13Å; A147-L184 HydrophobicContact CB-CD2 3.95Å; V151-L184 HydrophobicContact CG2-CD2 3.73Å; T158-L184 HydrophobicContact CG2-CD2 4.35Å; L160-L184 HydrophobicContact CB-CD1 4.15Å; L160-L184 HydrophobicContact CD2-CD1 3.77Å; A179-L184 HydrophobicContact CB-CB 4.13Å; A179-L184 HydrophobicContact CB-CD1 3.9Å; A179-L184 WeakPolarHBondContact O-CB 3.38Å; A179-L184 PolarHBondContact O-N 3.33Å; L184-Y223 WeakPolarHBondContact O-CE1 3.39Å; L184-Y223 PolarHBondContact O-OH 2.99Å; L184-F224 WeakPolarHBondContact O-CE1 3.35Å
185	K	96.9	Very high	92.4	Very high	20 Å²	20	39 Å²	39	9%	0.087	20%	0.197	C	C	.	.			trans	-132.6	-1.6	-178.2	66.5	175.2	-175.7	176.4	0	114	E77 E157 F224 D225	E77-K185 PolarHBondContact O-NZ 2.85Å; E157-K185 WeakPolarHBondContact OE1-CE 3.25Å; E157-K185 IonicContact OE1-NZ 3Å; E157-K185 PolarHBondContact OE1-NZ 2.73Å; E157-K185 WeakPolarHBondContact OE2-CE 3.45Å; E157-K185 IonicContact OE2-NZ 3.89Å; E157-K185 PolarHBondContact OE2-NZ 2.65Å; K185-F224 CarbonylContact O-C 3.43Å; K185-F224 VanDerWaalsContact O-CA 3.29Å; K185-F224 WeakPolarHBondContact O-CA 3.14Å; K185-D225 PolarHBondContact O-N 3.41Å
186	N	98.5	Very high	90.8	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.9	177.9	-37.1	-68.7	0	0	0	110.3	L79 E157 T158 V159 L160 D225	L79-N186 VanDerWaalsContact CB-OD1 3.29Å; L79-N186 WeakPolarHBondContact CB-OD1 3.29Å; L79-N186 HydrophobicContact CD2-CB 4.2Å; E157-N186 PolarHBondContact OE1-ND2 2.89Å; T158-N186 PolarHBondContact O-ND2 3.23Å; V159-N186 WeakPolarHBondContact CA-O 3.47Å; V159-N186 HydrophobicContact CB-CB 4.19Å; V159-N186 HydrophobicContact CG1-CB 4.24Å; V159-N186 HydrophobicContact CG2-CB 3.79Å; L160-N186 PolarHBondContact N-O 3.39Å; N186-D225 CarbonylContact C-O 3.54Å; N186-D225 VanDerWaalsContact CA-O 3.28Å; N186-D225 WeakPolarHBondContact CA-O 3.23Å
187	I	98.6	Very high	88.9	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.9	-177.8	-59	-64.4	0	0	0	109.8	L160 V162 L176 A179 I216 F224 D225 I226 C227	L160-I187 HydrophobicContact CB-CD1 4.16Å; L160-I187 WeakPolarHBondContact O-CA 3.44Å; V162-I187 HydrophobicContact CB-CG2 4.11Å; V162-I187 HydrophobicContact CG2-CD1 4.3Å; V162-I187 HydrophobicContact CG2-CG2 3.83Å; L176-I187 HydrophobicContact CD2-CD1 4.31Å; L176-I187 HydrophobicContact CD2-CG1 4.22Å; A179-I187 HydrophobicContact CB-CD1 4.49Å; I187-I216 HydrophobicContact CG2-CD1 3.95Å; I187-F224 HydrophobicContact CD1-CD1 4.27Å; I187-F224 HydrophobicContact CD1-CE1 4.12Å; I187-F224 HydrophobicContact CG1-CB 4.39Å; I187-F224 HydrophobicContact CG1-CD1 3.58Å; I187-F224 HydrophobicContact CG1-CE1 3.89Å; I187-F224 HydrophobicContact CG1-CG 3.96Å; I187-D225 PolarHBondContact N-O 2.87Å; I187-I226 VanDerWaalsContact O-CA 3.31Å; I187-I226 WeakPolarHBondContact O-CA 3.42Å; I187-C227 PolarHBondContact O-N 2.96Å
188	M	98.5	Very high	87	Confident	9 Å²	9	50.1 Å²	50.1	4%	0.044	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	109.3	165.8	-169.3	176.4	-164.5	0	0	109.2	V159 L160 H161 V162 L190 C227 A229 I260	V159-M188 HydrophobicContact CG1-CB 3.93Å; L160-M188 PolarHBondContact O-N 3.07Å; H161-M188 HydrophobicContact CB-CB 4.46Å; H161-M188 PolarHBondContact CE1-SD 2.83Å; H161-M188 PolarHBondContact NE2-SD 3.45Å; H161-M188 VanDerWaalsContact NE2-SD 3.36Å; V162-M188 PolarHBondContact N-O 3.37Å; M188-L190 HydrophobicContact CE-CD2 4Å; M188-L190 HydrophobicContact CG-CD1 4.37Å; M188-L190 HydrophobicContact CG-CD2 4.02Å; M188-L190 HydrophobicContact CG-CG 4.02Å; M188-L190 PolarHBondContact O-N 2.63Å; M188-L190 HydrophobicContact SD-CD1 4.28Å; M188-L190 HydrophobicContact SD-CD2 4.19Å; M188-L190 HydrophobicContact SD-CG 4.43Å; M188-C227 CarbonylContact C-O 3.58Å; M188-C227 WeakPolarHBondContact CA-O 3.26Å; M188-C227 VanDerWaalsContact CA-SG 3.55Å; M188-C227 WeakPolarHBondContact CB-SG 3.41Å; M188-C227 VanDerWaalsContact CG-SG 3.5Å; M188-A229 HydrophobicContact CE-CB 4.07Å; M188-I260 HydrophobicContact CE-CB 3.91Å; M188-I260 HydrophobicContact CE-CD1 4.33Å; M188-I260 HydrophobicContact CE-CG2 4.47Å; M188-I260 HydrophobicContact SD-CD1 4.49Å
189	A	97.9	Very high	85.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	114.1	-179.5	0	0	0	0	0	110.4	L212 V213 I216 I226 C227 V228	A189-L212 HydrophobicContact CB-CB 4.48Å; A189-L212 HydrophobicContact CB-CD2 3.81Å; A189-L212 HydrophobicContact CB-CG 4.01Å; A189-V213 HydrophobicContact CB-CG2 3.73Å; A189-I216 HydrophobicContact CB-CD1 4.42Å; A189-I226 HydrophobicContact CB-CG2 3.99Å; A189-C227 PolarHBondContact N-O 2.89Å; A189-V228 HydrophobicContact CB-CG1 4.41Å
190	L	95.6	Very high	83.8	Confident	31 Å²	31	59.5 Å²	59.5	16%	0.162	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152.3	-175.9	-63.1	175	0	0	0	110.9	H161 V162 T163 C164 M188 A229	H161-L190 HydrophobicContact CB-CD1 4.1Å; V162-L190 PolarHBondContact O-N 3.13Å; T163-L190 WeakPolarHBondContact CA-O 3.48Å; T163-L190 HydrophobicContact CG2-CB 3.95Å; T163-L190 HydrophobicContact CG2-CD1 4.42Å; C164-L190 PolarHBondContact N-O 3.28Å; C164-L190 VanDerWaalsContact N-O 3.08Å; M188-L190 HydrophobicContact CE-CD2 4Å; M188-L190 HydrophobicContact CG-CD1 4.37Å; M188-L190 HydrophobicContact CG-CD2 4.02Å; M188-L190 HydrophobicContact CG-CG 4.02Å; M188-L190 PolarHBondContact O-N 2.63Å; M188-L190 HydrophobicContact SD-CD1 4.28Å; M188-L190 HydrophobicContact SD-CD2 4.19Å; M188-L190 HydrophobicContact SD-CG 4.43Å; L190-A229 HydrophobicContact CD2-CB 3.71Å
191	R	91.6	Very high	82	Confident	50 Å²	50	59.3 Å²	59.3	19%	0.189	32%	0.315	C	S	.	.			trans	-70.2	-47.6	168.7	-172.2	-171.5	67.7	179.8	4.1	109.7	C164 C165 W199 A209 E237	C164-R191 PolarHBondContact N-O 3.11Å; C165-R191 VanDerWaalsContact CB-O 3.27Å; C165-R191 WeakPolarHBondContact CB-O 3.48Å; C165-R191 PolarHBondContact N-O 3.46Å; R191-W199 HydrophobicContact CG-CH2 3.74Å; R191-W199 HydrophobicContact CG-CZ3 4.13Å; R191-A209 HydrophobicContact CB-CB 4.46Å; R191-E237 IonicContact CZ-OE2 3.99Å; R191-E237 IonicContact NH1-OE2 3.1Å; R191-E237 PolarHBondContact NH1-OE2 3.19Å; R191-E237 IonicContact NH2-OE1 3.47Å; R191-E237 IonicContact NH2-OE2 3.1Å; R191-E237 PolarHBondContact NH2-OE2 3.07Å
192	G	84.8	Confident	80.6	Confident	16 Å²	16	55.8 Å²	55.8	17%	0.165	30%	0.299	C	S	.	.			trans	87.3	169.8	-167.2	0	0	0	0	0	112
193	D	78.6	Confident	79.1	Confident	105 Å²	105	63 Å²	63	56%	0.561	33%	0.331	S	S	*	.			trans	-97.6	146.1	176.8	-63.8	-36	0	0	0	109.7	C165	C165-D193 PolarHBondContact SG-O 3.19Å; C165-D193 VanDerWaalsContact SG-O 3.4Å
194	P	70.1	Confident	77.8	Confident	35 Å²	35	65.8 Å²	65.8	23%	0.227	36%	0.36	C	S	.	.			trans	-63.9	143.2	176.4	26.2	-32.8	0	0	0	111.2	G196 W199	P194-G196 PolarHBondContact O-N 3Å; P194-G196 VanDerWaalsContact O-N 3.14Å; P194-W199 HydrophobicContact CB-CE3 4.25Å
195	V	63.9	Low	76.7	Confident	90 Å²	90	66.8 Å²	66.8	55%	0.545	37%	0.371	S	S	.	.	S	Bend	trans	-80.4	93.3	170.4	-175.7	0	0	0	0	107.9	Q166	Q166-V195 VanDerWaalsContact OE1-CG2 3.31Å
196	G	62.9	Low	76.1	Confident	55 Å²	55	66.9 Å²	66.9	57%	0.567	37%	0.371	S	S	*	.	S	Bend	trans	111.2	-164.1	-177.5	0	0	0	0	0	113.4	P194	P194-G196 PolarHBondContact O-N 3Å; P194-G196 VanDerWaalsContact O-N 3.14Å
197	D	57.7	Low	75.4	Confident	160 Å²	160	68.6 Å²	68.6	86%	0.856	38%	0.384	S	S	*	.	S	Bend	trans	-85.8	-9.5	-173	-69.7	-26.9	0	0	0	114.1
198	H	57.6	Low	75	Confident	149 Å²	149	75.1 Å²	75.1	69%	0.69	41%	0.409	S	S	*	.	S	Bend	trans	-129.9	140.8	-173.3	-63	-37.1	0	0	0	112.9
199	W	64.6	Low	74.8	Confident	95 Å²	95	75.1 Å²	75.1	36%	0.36	41%	0.411	S	S	.	.			trans	-80.9	116.9	171.9	-178.1	-91	0	0	0	109.6	C165 R191 P194 T201 S207	C165-W199 HydrophobicContact CB-CH2 4.02Å; C165-W199 HydrophobicContact CB-CZ3 4.04Å; R191-W199 HydrophobicContact CG-CH2 3.74Å; R191-W199 HydrophobicContact CG-CZ3 4.13Å; P194-W199 HydrophobicContact CB-CE3 4.25Å; W199-T201 PolarHBondContact NE1-OG1 3.48Å; W199-S207 WeakPolarHBondContact CZ2-O 3.34Å
200	E	63.7	Low	74.7	Confident	144 Å²	144	75.8 Å²	75.8	67%	0.673	42%	0.415	S	S	*	.			trans	-110	119.8	171.6	-67.1	-175	177	0	0	108.2
201	T	60.1	Low	74.7	Confident	83 Å²	83	76.6 Å²	76.6	51%	0.509	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-85.1	119.1	176.3	-40.2	0	0	0	0	107.1	W199	W199-T201 PolarHBondContact NE1-OG1 3.48Å
202	E	64.1	Low	74.9	Confident	80 Å²	80	74.2 Å²	74.2	37%	0.374	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-75.6	138.6	176.5	-159.8	171.8	-178.3	0	0	109.7	G204 G205	E202-G204 PolarHBondContact O-N 2.98Å; E202-G204 VanDerWaalsContact O-N 3.15Å; E202-G205 PolarHBondContact O-N 3.22Å
203	E	64.5	Low	75.5	Confident	197 Å²	197	73.5 Å²	73.5	92%	0.921	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	116.2	-179.5	-165.4	172.9	-169.7	0	0	109.6
204	G	65.6	Low	76.4	Confident	60 Å²	60	74.1 Å²	74.1	62%	0.619	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	11.3	-172.5	0	0	0	0	0	115.4	E202	E202-G204 PolarHBondContact O-N 2.98Å; E202-G204 VanDerWaalsContact O-N 3.15Å
205	G	74.3	Confident	77.7	Confident	23 Å²	23	72.8 Å²	72.8	24%	0.237	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-91.2	-176.7	174	0	0	0	0	0	114	E202	E202-G205 PolarHBondContact O-N 3.22Å
206	F	84.7	Confident	79.3	Confident	21 Å²	21	68.5 Å²	68.5	9%	0.092	37%	0.365	C	S	.	.			trans	-97.4	138.9	179.9	-61.9	-82	0	0	0	111.8	C164 Q169 I172 D211 H215	C164-F206 HydrophobicContact CB-CB 3.55Å; C164-F206 HydrophobicContact CB-CD2 3.94Å; C164-F206 HydrophobicContact CB-CG 3.88Å; C164-F206 VanDerWaalsContact SG-CB 3.58Å; Q169-F206 HydrophobicContact CB-CE2 4.27Å; Q169-F206 HydrophobicContact CB-CZ 4.26Å; Q169-F206 HydrophobicContact CG-CE2 4.44Å; Q169-F206 HydrophobicContact CG-CZ 3.98Å; I172-F206 HydrophobicContact CB-CE2 4.03Å; I172-F206 HydrophobicContact CD1-CD2 3.37Å; I172-F206 HydrophobicContact CD1-CE2 3.34Å; I172-F206 HydrophobicContact CD1-CG 4.41Å; I172-F206 HydrophobicContact CD1-CZ 4.38Å; I172-F206 HydrophobicContact CG1-CD2 4.23Å; I172-F206 HydrophobicContact CG1-CE2 3.82Å; I172-F206 HydrophobicContact CG2-CE2 4.41Å; F206-D211 HydrophobicContact CB-CB 4.43Å; F206-D211 HydrophobicContact CD1-CB 3.59Å; F206-D211 HydrophobicContact CE1-CB 4.38Å; F206-D211 HydrophobicContact CG-CB 4.5Å; F206-H215 HydrophobicContact CE1-CB 3.66Å; F206-H215 AromaticContact CE1-CG 3.96Å; F206-H215 HydrophobicContact CZ-CB 3.87Å; F206-H215 AromaticContact CZ-CD2 3.82Å; F206-H215 AromaticContact CZ-CG 3.65Å
207	S	84.8	Confident	81	Confident	38 Å²	38	68 Å²	68	27%	0.266	35%	0.346	S	S	.	.	S	Bend	trans	-98	-37.6	178.9	-63.8	0	0	0	0	112.2	W199 D211	W199-S207 WeakPolarHBondContact CZ2-O 3.34Å; S207-D211 PolarHBondContact N-OD2 3.28Å
208	Y	90.6	Very high	82.9	Confident	136 Å²	136	64.3 Å²	64.3	53%	0.533	33%	0.333	S	S	.	.	S	Bend	trans	-131.7	157	-176.7	-59.2	-80.6	0	0	0	112	T210 D211	Y208-T210 PolarHBondContact O-N 3.16Å; Y208-T210 VanDerWaalsContact O-N 3.13Å; Y208-D211 PolarHBondContact N-OD2 3.14Å; Y208-D211 WeakPolarHBondContact O-CB 3.42Å; Y208-D211 PolarHBondContact O-N 3.35Å
209	A	93.9	Very high	84.8	Confident	10 Å²	10	62.3 Å²	62.3	8%	0.083	32%	0.324	C	S	.	.	H	α-helix	trans	-56.6	-29.1	172.3	0	0	0	0	0	112.4	R191 D211 L212 V213 K251	R191-A209 HydrophobicContact CB-CB 4.46Å; A209-D211 PolarHBondContact O-N 3.01Å; A209-L212 WeakPolarHBondContact O-CB 3.34Å; A209-L212 PolarHBondContact O-N 3.02Å; A209-V213 WeakPolarHBondContact O-CG2 3.09Å; A209-V213 PolarHBondContact O-N 3.4Å; A209-K251 HydrophobicContact CB-CD 4.01Å
210	T	95.8	Very high	86.3	Confident	13 Å²	13	58.8 Å²	58.8	8%	0.08	31%	0.311	C	S	.	.	H	α-helix	trans	-57.5	-37.4	174	-48.3	0	0	0	0	112.1	Y208 V213 K214 K251 A254	Y208-T210 PolarHBondContact O-N 3.16Å; Y208-T210 VanDerWaalsContact O-N 3.13Å; T210-V213 PolarHBondContact O-N 3.07Å; T210-K214 WeakPolarHBondContact O-CG 3.46Å; T210-K214 PolarHBondContact O-N 2.74Å; T210-K251 WeakPolarHBondContact OG1-CG 3.44Å; T210-A254 HydrophobicContact CG2-CB 3.97Å
211	D	94.6	Very high	87.9	Confident	49 Å²	49	53.6 Å²	53.6	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-70.1	-38.9	-179.8	-53.5	-38.7	0	0	0	110.5	F206 S207 Y208 A209 K214 H215	F206-D211 HydrophobicContact CB-CB 4.43Å; F206-D211 HydrophobicContact CD1-CB 3.59Å; F206-D211 HydrophobicContact CE1-CB 4.38Å; F206-D211 HydrophobicContact CG-CB 4.5Å; S207-D211 PolarHBondContact N-OD2 3.28Å; Y208-D211 PolarHBondContact N-OD2 3.14Å; Y208-D211 WeakPolarHBondContact O-CB 3.42Å; Y208-D211 PolarHBondContact O-N 3.35Å; A209-D211 PolarHBondContact O-N 3.01Å; D211-K214 PolarHBondContact O-N 2.79Å; D211-H215 WeakPolarHBondContact O-CB 3.34Å; D211-H215 PolarHBondContact O-N 3.44Å
212	L	96.3	Very high	89.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-43.3	173.2	179.3	59.8	0	0	0	111.8	V162 C164 I172 A189 A209 K214 H215 I216	V162-L212 HydrophobicContact CB-CD2 4.35Å; V162-L212 HydrophobicContact CG1-CD2 4.15Å; V162-L212 WeakPolarHBondContact O-CD2 3.42Å; C164-L212 HydrophobicContact CB-CB 4.13Å; C164-L212 HydrophobicContact CB-CD2 4.15Å; I172-L212 HydrophobicContact CD1-CD1 4.14Å; I172-L212 HydrophobicContact CG2-CD1 3.52Å; A189-L212 HydrophobicContact CB-CB 4.48Å; A189-L212 HydrophobicContact CB-CD2 3.81Å; A189-L212 HydrophobicContact CB-CG 4.01Å; A209-L212 WeakPolarHBondContact O-CB 3.34Å; A209-L212 PolarHBondContact O-N 3.02Å; L212-K214 PolarHBondContact O-N 3.3Å; L212-H215 PolarHBondContact O-N 3.37Å; L212-I216 HydrophobicContact CD1-CD1 4.03Å; L212-I216 HydrophobicContact CD1-CG1 4.15Å; L212-I216 HydrophobicContact CG-CD1 3.93Å; L212-I216 HydrophobicContact CG-CG1 4.49Å; L212-I216 VanDerWaalsContact O-CG1 3.27Å; L212-I216 WeakPolarHBondContact O-CG1 3.32Å; L212-I216 PolarHBondContact O-N 2.95Å
213	V	97.9	Very high	91.1	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-48.3	175.2	176.6	0	0	0	0	110.5	A189 A209 T210 H215 I216 R217 I226 V228 A254	A189-V213 HydrophobicContact CB-CG2 3.73Å; A209-V213 WeakPolarHBondContact O-CG2 3.09Å; A209-V213 PolarHBondContact O-N 3.4Å; T210-V213 PolarHBondContact O-N 3.07Å; V213-H215 VanDerWaalsContact C-N 3.33Å; V213-H215 PolarHBondContact O-N 3.3Å; V213-I216 PolarHBondContact O-N 3.17Å; V213-R217 WeakPolarHBondContact O-CG 3.14Å; V213-R217 PolarHBondContact O-N 3.13Å; V213-I226 HydrophobicContact CG1-CD1 4.43Å; V213-I226 HydrophobicContact CG2-CG2 4.14Å; V213-V228 HydrophobicContact CG2-CG1 3.79Å; V213-A254 HydrophobicContact CB-CB 4.18Å; V213-A254 HydrophobicContact CG1-CB 3.78Å
214	K	97.2	Very high	92.8	Very high	118 Å²	118	43.6 Å²	43.6	51%	0.513	24%	0.244	S	C	.	.	H	α-helix	trans	-59.5	-43.7	177.6	-72.2	172.7	-177.5	166.7	0	111.8	T210 D211 L212 R217 S218 A254	T210-K214 WeakPolarHBondContact O-CG 3.46Å; T210-K214 PolarHBondContact O-N 2.74Å; D211-K214 PolarHBondContact O-N 2.79Å; L212-K214 PolarHBondContact O-N 3.3Å; K214-R217 PolarHBondContact O-N 3.4Å; K214-S218 PolarHBondContact O-N 2.74Å; K214-S218 PolarHBondContact O-OG 2.89Å; K214-A254 HydrophobicContact CG-CB 3.92Å
215	H	96.9	Very high	94.3	Very high	8 Å²	8	40.8 Å²	40.8	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-44.9	179.2	-178.5	68.7	0	0	0	112.6	Q169 T173 F206 D211 L212 V213 R217 S218 E219	Q169-H215 VanDerWaalsContact CG-CE1 3.41Å; Q169-H215 WeakPolarHBondContact CG-CE1 3.27Å; Q169-H215 PolarHBondContact NE2-CE1 3.09Å; Q169-H215 PolarHBondContact NE2-ND1 2.81Å; T173-H215 PolarHBondContact OG1-CE1 3.25Å; T173-H215 VanDerWaalsContact OG1-CE1 3.27Å; T173-H215 PolarHBondContact OG1-NE2 3.37Å; F206-H215 HydrophobicContact CE1-CB 3.66Å; F206-H215 AromaticContact CE1-CG 3.96Å; F206-H215 HydrophobicContact CZ-CB 3.87Å; F206-H215 AromaticContact CZ-CD2 3.82Å; F206-H215 AromaticContact CZ-CG 3.65Å; D211-H215 WeakPolarHBondContact O-CB 3.34Å; D211-H215 PolarHBondContact O-N 3.44Å; L212-H215 PolarHBondContact O-N 3.37Å; V213-H215 VanDerWaalsContact C-N 3.33Å; V213-H215 PolarHBondContact O-N 3.3Å; H215-R217 VanDerWaalsContact C-N 3.29Å; H215-R217 PolarHBondContact O-N 2.95Å; H215-S218 WeakPolarHBondContact CA-OG 3.13Å; H215-S218 PolarHBondContact O-N 2.96Å; H215-S218 PolarHBondContact O-OG 3.08Å; H215-E219 VanDerWaalsContact CE1-CG 3.43Å; H215-E219 WeakPolarHBondContact CE1-CG 3.36Å; H215-E219 WeakPolarHBondContact O-CB 3.47Å; H215-E219 PolarHBondContact O-N 2.8Å
216	I	97.9	Very high	95.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-43.8	175.4	-64.4	163	0	0	0	109.9	L176 I187 A189 L212 V213 F220 F224 I226	L176-I216 HydrophobicContact CD1-CG1 3.67Å; L176-I216 HydrophobicContact CD2-CD1 4.31Å; L176-I216 HydrophobicContact CD2-CG1 4.07Å; I187-I216 HydrophobicContact CG2-CD1 3.95Å; A189-I216 HydrophobicContact CB-CD1 4.42Å; L212-I216 HydrophobicContact CD1-CD1 4.03Å; L212-I216 HydrophobicContact CD1-CG1 4.15Å; L212-I216 HydrophobicContact CG-CD1 3.93Å; L212-I216 HydrophobicContact CG-CG1 4.49Å; L212-I216 VanDerWaalsContact O-CG1 3.27Å; L212-I216 WeakPolarHBondContact O-CG1 3.32Å; L212-I216 PolarHBondContact O-N 2.95Å; V213-I216 PolarHBondContact O-N 3.17Å; I216-F220 WeakPolarHBondContact O-CA 3.23Å; I216-F220 WeakPolarHBondContact O-CB 3.31Å; I216-F220 PolarHBondContact O-N 3.08Å; I216-F224 HydrophobicContact CG2-CB 4.18Å; I216-F224 HydrophobicContact CG2-CD2 3.78Å; I216-F224 HydrophobicContact CG2-CG 4.35Å; I216-I226 HydrophobicContact CB-CD1 3.81Å; I216-I226 HydrophobicContact CD1-CD1 4.26Å; I216-I226 HydrophobicContact CG2-CD1 3.52Å; I216-I226 HydrophobicContact CG2-CG1 4.2Å
217	R	97.8	Very high	96.1	Very high	45 Å²	45	38.7 Å²	38.7	17%	0.17	20%	0.199	C	C	.	.	H	α-helix	trans	-67.9	-35.7	179.2	-68.4	-64.7	178.3	-141	0.4	113.2	V213 K214 H215 G221 D222 F224 I226 G255 D257	V213-R217 WeakPolarHBondContact O-CG 3.14Å; V213-R217 PolarHBondContact O-N 3.13Å; K214-R217 PolarHBondContact O-N 3.4Å; H215-R217 VanDerWaalsContact C-N 3.29Å; H215-R217 PolarHBondContact O-N 2.95Å; R217-G221 WeakPolarHBondContact CD-O 3.33Å; R217-G221 PolarHBondContact NH1-O 3.29Å; R217-G221 WeakPolarHBondContact O-CA 3.29Å; R217-G221 PolarHBondContact O-N 2.95Å; R217-G221 VanDerWaalsContact O-N 3.1Å; R217-D222 IonicContact NH1-OD1 3.93Å; R217-F224 PolarHBondContact NH1-O 3.48Å; R217-F224 PolarHBondContact NH2-O 3.2Å; R217-I226 HydrophobicContact CG-CD1 4.14Å; R217-I226 VanDerWaalsContact CZ-CD1 3.4Å; R217-G255 VanDerWaalsContact CZ-O 3.26Å; R217-G255 PolarHBondContact NE-O 2.95Å; R217-G255 PolarHBondContact NH2-O 3.33Å; R217-D257 IonicContact NH2-OD1 2.86Å; R217-D257 IonicContact NH2-OD2 3.69Å; R217-D257 PolarHBondContact NH2-OD2 3.37Å
218	S	97.6	Very high	96.8	Very high	82 Å²	82	36.9 Å²	36.9	57%	0.573	19%	0.187	S	C	*	.	H	α-helix	trans	-71.1	-44	177.9	61.6	0	0	0	0	112.4	K214 H215	K214-S218 PolarHBondContact O-N 2.74Å; K214-S218 PolarHBondContact O-OG 2.89Å; H215-S218 WeakPolarHBondContact CA-OG 3.13Å; H215-S218 PolarHBondContact O-N 2.96Å; H215-S218 PolarHBondContact O-OG 3.08Å
219	E	97.3	Very high	97.1	Very high	107 Å²	107	31 Å²	31	50%	0.5	17%	0.166	S	C	.	.	H	α-helix	trans	-84	-37.6	-174.4	-66.4	-57.3	133.8	0	0	113.2	H215	H215-E219 VanDerWaalsContact CE1-CG 3.43Å; H215-E219 WeakPolarHBondContact CE1-CG 3.36Å; H215-E219 WeakPolarHBondContact O-CB 3.47Å; H215-E219 PolarHBondContact O-N 2.8Å
220	F	97.7	Very high	97.2	Very high	20 Å²	20	30.6 Å²	30.6	9%	0.088	16%	0.163	C	C	.	.	H	α-helix	trans	-113.7	-0.6	-172.3	-60	-91.4	0	0	0	113.4	L176 H177 K180 I216 D222 Y223 F224	L176-F220 HydrophobicContact CB-CD2 4.34Å; L176-F220 HydrophobicContact CB-CE1 4.28Å; L176-F220 HydrophobicContact CB-CE2 3.49Å; L176-F220 VanDerWaalsContact CB-CE2 3.49Å; L176-F220 HydrophobicContact CB-CZ 3.46Å; L176-F220 VanDerWaalsContact CB-CZ 3.46Å; L176-F220 HydrophobicContact CD1-CD2 4.19Å; L176-F220 HydrophobicContact CD1-CE2 3.67Å; L176-F220 HydrophobicContact CD1-CZ 4.48Å; L176-F220 HydrophobicContact CG-CE2 4.22Å; H177-F220 AromaticContact CD2-CZ 3.97Å; H177-F220 AromaticContact CE1-CE1 3.76Å; H177-F220 AromaticContact CE1-CZ 3.89Å; H177-F220 AromaticContact CG-CZ 3.99Å; H177-F220 AromaticContact ND1-CE1 3.67Å; H177-F220 AromaticContact ND1-CZ 3.95Å; H177-F220 AromaticContact NE2-CZ 3.92Å; K180-F220 HydrophobicContact CD-CD1 4.19Å; K180-F220 HydrophobicContact CD-CE1 4.41Å; I216-F220 WeakPolarHBondContact O-CA 3.23Å; I216-F220 WeakPolarHBondContact O-CB 3.31Å; I216-F220 PolarHBondContact O-N 3.08Å; F220-D222 PolarHBondContact O-N 3.35Å; F220-Y223 VanDerWaalsContact O-CB 3.31Å; F220-Y223 WeakPolarHBondContact O-CB 3.37Å; F220-Y223 PolarHBondContact O-N 3.09Å; F220-F224 HydrophobicContact CB-CD2 3.84Å; F220-F224 HydrophobicContact CB-CE2 4Å; F220-F224 HydrophobicContact CD1-CD2 4.42Å; F220-F224 AromaticContact CD1-CE2 3.7Å; F220-F224 HydrophobicContact CD1-CE2 3.7Å; F220-F224 HydrophobicContact CD2-CE2 4.21Å; F220-F224 HydrophobicContact CE1-CE2 4.24Å; F220-F224 HydrophobicContact CG-CD2 4.04Å; F220-F224 AromaticContact CG-CE2 3.69Å; F220-F224 HydrophobicContact CG-CE2 3.69Å
221	G	97	Very high	97.3	Very high	36 Å²	36	32.6 Å²	32.6	37%	0.371	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-126.1	-178.6	0	0	0	0	0	111.5	R217	R217-G221 WeakPolarHBondContact CD-O 3.33Å; R217-G221 PolarHBondContact NH1-O 3.29Å; R217-G221 WeakPolarHBondContact O-CA 3.29Å; R217-G221 PolarHBondContact O-N 2.95Å; R217-G221 VanDerWaalsContact O-N 3.1Å
222	D	95.3	Very high	97.3	Very high	79 Å²	79	30.8 Å²	30.8	42%	0.422	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	28.9	179.3	-165.1	33.2	0	0	0	111.9	R78 R80 R217 F220	R78-D222 IonicContact CZ-OD1 3.24Å; R78-D222 IonicContact CZ-OD2 3.17Å; R78-D222 PolarHBondContact NH1-O 3.1Å; R78-D222 IonicContact NH1-OD1 2.94Å; R78-D222 PolarHBondContact NH1-OD1 2.92Å; R78-D222 IonicContact NH1-OD2 3.08Å; R78-D222 PolarHBondContact NH1-OD2 3.43Å; R78-D222 PolarHBondContact NH2-O 3.06Å; R78-D222 IonicContact NH2-OD1 3.88Å; R78-D222 PolarHBondContact NH2-OD1 3.36Å; R78-D222 IonicContact NH2-OD2 3.47Å; R80-D222 IonicContact CZ-OD1 3.34Å; R80-D222 IonicContact CZ-OD2 2.7Å; R80-D222 IonicContact NH1-OD1 2.73Å; R80-D222 PolarHBondContact NH1-OD1 3.42Å; R80-D222 IonicContact NH1-OD2 3.68Å; R80-D222 IonicContact NH2-OD1 2.63Å; R80-D222 PolarHBondContact NH2-OD1 2.89Å; R80-D222 IonicContact NH2-OD2 3.74Å; R80-D222 PolarHBondContact NH2-OD2 3.29Å; R217-D222 IonicContact NH1-OD1 3.93Å; F220-D222 PolarHBondContact O-N 3.35Å
223	Y	96.5	Very high	97.2	Very high	70 Å²	70	36.2 Å²	36.2	28%	0.275	18%	0.184	S	C	.	.	S	Bend	trans	-71	-43.9	175.6	175.9	-94.2	0	0	0	112.3	K180 L184 F220	K180-Y223 HydrophobicContact CB-CD1 4.47Å; K180-Y223 HydrophobicContact CB-CE1 3.81Å; K180-Y223 HydrophobicContact CD-CD1 3.89Å; K180-Y223 HydrophobicContact CD-CD2 4.3Å; K180-Y223 HydrophobicContact CD-CE1 3.79Å; K180-Y223 HydrophobicContact CD-CE2 4.19Å; K180-Y223 HydrophobicContact CD-CG 4.17Å; K180-Y223 HydrophobicContact CG-CD1 4.17Å; K180-Y223 HydrophobicContact CG-CE1 3.54Å; K180-Y223 HydrophobicContact CG-CE2 4.18Å; L184-Y223 WeakPolarHBondContact O-CE1 3.39Å; L184-Y223 PolarHBondContact O-OH 2.99Å; F220-Y223 VanDerWaalsContact O-CB 3.31Å; F220-Y223 WeakPolarHBondContact O-CB 3.37Å; F220-Y223 PolarHBondContact O-N 3.09Å
224	F	98.3	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-92	138.5	-177.9	-68.4	-71.9	0	0	0	111.7	R78 L176 K180 L184 K185 I187 I216 R217 F220 I226	R78-F224 PolarHBondContact NH2-O 2.94Å; L176-F224 HydrophobicContact CD2-CE2 4.41Å; K180-F224 HydrophobicContact CB-CZ 3.87Å; L184-F224 WeakPolarHBondContact O-CE1 3.35Å; K185-F224 CarbonylContact O-C 3.43Å; K185-F224 VanDerWaalsContact O-CA 3.29Å; K185-F224 WeakPolarHBondContact O-CA 3.14Å; I187-F224 HydrophobicContact CD1-CD1 4.27Å; I187-F224 HydrophobicContact CD1-CE1 4.12Å; I187-F224 HydrophobicContact CG1-CB 4.39Å; I187-F224 HydrophobicContact CG1-CD1 3.58Å; I187-F224 HydrophobicContact CG1-CE1 3.89Å; I187-F224 HydrophobicContact CG1-CG 3.96Å; I216-F224 HydrophobicContact CG2-CB 4.18Å; I216-F224 HydrophobicContact CG2-CD2 3.78Å; I216-F224 HydrophobicContact CG2-CG 4.35Å; R217-F224 PolarHBondContact NH1-O 3.48Å; R217-F224 PolarHBondContact NH2-O 3.2Å; F220-F224 HydrophobicContact CB-CD2 3.84Å; F220-F224 HydrophobicContact CB-CE2 4Å; F220-F224 HydrophobicContact CD1-CD2 4.42Å; F220-F224 AromaticContact CD1-CE2 3.7Å; F220-F224 HydrophobicContact CD1-CE2 3.7Å; F220-F224 HydrophobicContact CD2-CE2 4.21Å; F220-F224 HydrophobicContact CE1-CE2 4.24Å; F220-F224 HydrophobicContact CG-CD2 4.04Å; F220-F224 AromaticContact CG-CE2 3.69Å; F220-F224 HydrophobicContact CG-CE2 3.69Å; F224-I226 HydrophobicContact CB-CG1 4.29Å
225	D	98.4	Very high	96.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134.5	155.4	-68.4	-8	0	0	0	108.3	R78 L79 R80 K185 N186 I187 D257	R78-D225 WeakPolarHBondContact CB-OD2 3.41Å; R78-D225 IonicContact CZ-OD1 3.92Å; R78-D225 IonicContact NE-OD1 3.66Å; R78-D225 PolarHBondContact NE-OD1 3.4Å; R78-D225 IonicContact NH2-OD1 2.78Å; R78-D225 PolarHBondContact NH2-OD1 3.29Å; L79-D225 WeakPolarHBondContact CA-OD2 3.33Å; L79-D225 WeakPolarHBondContact CB-OD2 3.41Å; L79-D225 PolarHBondContact N-OD2 3.43Å; R80-D225 PolarHBondContact N-OD2 3.15Å; R80-D225 IonicContact NE-OD1 3.6Å; K185-D225 PolarHBondContact O-N 3.41Å; N186-D225 CarbonylContact C-O 3.54Å; N186-D225 VanDerWaalsContact CA-O 3.28Å; N186-D225 WeakPolarHBondContact CA-O 3.23Å; I187-D225 PolarHBondContact N-O 2.87Å; D225-D257 VanDerWaalsContact CA-OD2 3.32Å; D225-D257 WeakPolarHBondContact CA-OD2 3.47Å
226	I	98.6	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.2	-173.1	-56.3	176.3	0	0	0	109.7	I187 A189 V213 I216 R217 F224 D257	I187-I226 VanDerWaalsContact O-CA 3.31Å; I187-I226 WeakPolarHBondContact O-CA 3.42Å; A189-I226 HydrophobicContact CB-CG2 3.99Å; V213-I226 HydrophobicContact CG1-CD1 4.43Å; V213-I226 HydrophobicContact CG2-CG2 4.14Å; I216-I226 HydrophobicContact CB-CD1 3.81Å; I216-I226 HydrophobicContact CD1-CD1 4.26Å; I216-I226 HydrophobicContact CG2-CD1 3.52Å; I216-I226 HydrophobicContact CG2-CG1 4.2Å; R217-I226 HydrophobicContact CG-CD1 4.14Å; R217-I226 VanDerWaalsContact CZ-CD1 3.4Å; F224-I226 HydrophobicContact CB-CG1 4.29Å; I226-D257 PolarHBondContact N-OD2 3.11Å; I226-D257 PolarHBondContact O-N 3.17Å
227	C	98	Very high	95.6	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	157.4	167	64.8	0	0	0	0	112.1	I187 M188 A189 F258	I187-C227 PolarHBondContact O-N 2.96Å; M188-C227 CarbonylContact C-O 3.58Å; M188-C227 WeakPolarHBondContact CA-O 3.26Å; M188-C227 VanDerWaalsContact CA-SG 3.55Å; M188-C227 WeakPolarHBondContact CB-SG 3.41Å; M188-C227 VanDerWaalsContact CG-SG 3.5Å; A189-C227 PolarHBondContact N-O 2.89Å; C227-F258 VanDerWaalsContact CA-O 3.28Å; C227-F258 WeakPolarHBondContact CA-O 3.37Å; C227-F258 HydrophobicContact CB-CD1 3.9Å; C227-F258 HydrophobicContact CB-CD2 3.66Å; C227-F258 HydrophobicContact CB-CE1 3.63Å; C227-F258 HydrophobicContact CB-CE2 3.37Å; C227-F258 HydrophobicContact CB-CG 3.93Å; C227-F258 HydrophobicContact CB-CZ 3.36Å; C227-F258 WeakPolarHBondContact CB-O 3.4Å
228	V	98.4	Very high	95.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155	180	-65.2	0	0	0	0	110.9	A189 V213 L248 K251 A256 F258 I259 I260	A189-V228 HydrophobicContact CB-CG1 4.41Å; V213-V228 HydrophobicContact CG2-CG1 3.79Å; V228-L248 HydrophobicContact CG2-CD1 4.31Å; V228-K251 HydrophobicContact CG1-CB 4.4Å; V228-K251 HydrophobicContact CG2-CB 4.39Å; V228-A256 HydrophobicContact CB-CB 4.46Å; V228-A256 HydrophobicContact CG1-CB 3.75Å; V228-A256 HydrophobicContact CG2-CB 3.92Å; V228-F258 PolarHBondContact N-O 3.08Å; V228-I259 HydrophobicContact CG2-CG1 3.97Å; V228-I259 WeakPolarHBondContact O-CA 3.43Å; V228-I260 PolarHBondContact O-N 3.42Å; V228-I260 VanDerWaalsContact O-N 3.08Å
229	A	97.5	Very high	94.8	Very high	13 Å²	13	44.1 Å²	44.1	11%	0.107	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	141.8	175.7	0	0	0	0	0	112.5	M188 L190 Y231 K251 I260	M188-A229 HydrophobicContact CE-CB 4.07Å; L190-A229 HydrophobicContact CD2-CB 3.71Å; A229-Y231 HydrophobicContact CB-CE2 4.11Å; A229-K251 PolarHBondContact O-NZ 3.21Å; A229-I260 WeakPolarHBondContact CA-O 3.35Å
230	G	97.1	Very high	94.7	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.3	167.7	0	0	0	0	0	112.2	I260 T261 Q262	G230-I260 PolarHBondContact N-O 3.36Å; G230-T261 CarbonylContact O-C 3.5Å; G230-T261 VanDerWaalsContact O-CA 3.25Å; G230-T261 WeakPolarHBondContact O-CA 3Å; G230-Q262 PolarHBondContact O-N 3.15Å
231	Y	96.4	Very high	94.5	Very high	54 Å²	54	43.5 Å²	43.5	21%	0.212	23%	0.233	C	C	.	.			trans	-123	102.4	-174.8	-62.3	-94	0	0	0	109.9	A229 K233 G234 H235 Q262	A229-Y231 HydrophobicContact CB-CE2 4.11Å; Y231-K233 PolarHBondContact O-N 3.03Å; Y231-K233 VanDerWaalsContact O-N 3.08Å; Y231-G234 PolarHBondContact O-N 3Å; Y231-H235 HydrophobicContact CD2-CB 4.12Å; Y231-H235 AromaticContact CD2-CD2 3.95Å; Y231-H235 AromaticContact CE1-CD2 3.66Å; Y231-H235 AromaticContact CE2-CD2 3.59Å; Y231-H235 HydrophobicContact CG-CB 4.22Å; Y231-H235 AromaticContact CZ-CD2 3.44Å; Y231-H235 VanDerWaalsContact CZ-CD2 3.44Å; Y231-Q262 HydrophobicContact CD1-CB 3.84Å; Y231-Q262 HydrophobicContact CD1-CG 4.2Å; Y231-Q262 HydrophobicContact CE1-CB 4.24Å; Y231-Q262 HydrophobicContact CE1-CG 4.46Å
232	P	95.9	Very high	94.5	Very high	11 Å²	11	47.6 Å²	47.6	7%	0.071	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.5	-173.3	-28.7	37.5	0	0	0	115.4	T261 F264 T269 F273	P232-T261 HydrophobicContact CG-CG2 4.08Å; P232-F264 HydrophobicContact CG-CD1 4.14Å; P232-T269 HydrophobicContact CB-CG2 3.82Å; P232-F273 HydrophobicContact CB-CB 4.1Å; P232-F273 HydrophobicContact CB-CG 4.21Å; P232-F273 HydrophobicContact CG-CD1 4.45Å
233	K	92.9	Very high	94.4	Very high	115 Å²	115	46.6 Å²	46.6	50%	0.5	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	11.3	174.2	-66.2	-166.2	175.3	-174.2	0	113.7	Y231 T269 L308	Y231-K233 PolarHBondContact O-N 3.03Å; Y231-K233 VanDerWaalsContact O-N 3.08Å; K233-T269 HydrophobicContact CD-CG2 4.36Å; K233-T269 HydrophobicContact CG-CG2 3.61Å; K233-L308 HydrophobicContact CB-CD2 4.44Å; K233-L308 HydrophobicContact CD-CD2 4.14Å
234	G	92.6	Very high	94.4	Very high	18 Å²	18	44 Å²	44	19%	0.186	23%	0.227	C	C	.	.			trans	83.2	147	-172.7	0	0	0	0	0	113.1	Y231 D244	Y231-G234 PolarHBondContact O-N 3Å; G234-D244 WeakPolarHBondContact CA-OD2 3.25Å
235	H	90.7	Very high	94.3	Very high	30 Å²	30	44.5 Å²	44.5	14%	0.139	23%	0.229	C	C	.	.			trans	-64.9	136.1	174.1	-169.9	-96.1	0	0	0	111	Y231 E237 A238 D244	Y231-H235 HydrophobicContact CD2-CB 4.12Å; Y231-H235 AromaticContact CD2-CD2 3.95Å; Y231-H235 AromaticContact CE1-CD2 3.66Å; Y231-H235 AromaticContact CE2-CD2 3.59Å; Y231-H235 HydrophobicContact CG-CB 4.22Å; Y231-H235 AromaticContact CZ-CD2 3.44Å; Y231-H235 VanDerWaalsContact CZ-CD2 3.44Å; H235-E237 IonicContact CE1-OE2 3.99Å; H235-E237 PolarHBondContact ND1-N 2.94Å; H235-E237 PolarHBondContact O-N 3.35Å; H235-A238 HydrophobicContact CB-CB 4.22Å; H235-A238 WeakPolarHBondContact O-CB 3.3Å; H235-A238 PolarHBondContact O-N 3.21Å; H235-D244 PolarHBondContact N-OD2 3.47Å
236	P	86.3	Confident	94.2	Very high	68 Å²	68	50.9 Å²	50.9	44%	0.442	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.7	-176.3	-25.8	34.8	0	0	0	116.1	K307	P236-K307 HydrophobicContact CB-CB 4.4Å; P236-K307 HydrophobicContact CB-CD 3.63Å; P236-K307 HydrophobicContact CG-CB 4.03Å; P236-K307 HydrophobicContact CG-CD 3.89Å; P236-K307 HydrophobicContact CG-CG 4.44Å
237	E	86.4	Confident	94.1	Very high	97 Å²	97	54.1 Å²	54.1	45%	0.453	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-0.8	178.6	-60	171.9	-176.7	0	0	113.2	R191 H235	R191-E237 IonicContact CZ-OE2 3.99Å; R191-E237 IonicContact NH1-OE2 3.1Å; R191-E237 PolarHBondContact NH1-OE2 3.19Å; R191-E237 IonicContact NH2-OE1 3.47Å; R191-E237 IonicContact NH2-OE2 3.1Å; R191-E237 PolarHBondContact NH2-OE2 3.07Å; H235-E237 IonicContact CE1-OE2 3.99Å; H235-E237 PolarHBondContact ND1-N 2.94Å; H235-E237 PolarHBondContact O-N 3.35Å
238	A	88.6	Confident	94	Very high	31 Å²	31	54.2 Å²	54.2	26%	0.256	27%	0.272	S	S	.	.	S	Bend	trans	-77.8	145.2	175	0	0	0	0	0	110.4	H235 S240 D244	H235-A238 HydrophobicContact CB-CB 4.22Å; H235-A238 WeakPolarHBondContact O-CB 3.3Å; H235-A238 PolarHBondContact O-N 3.21Å; A238-S240 VanDerWaalsContact C-N 3.28Å; A238-S240 PolarHBondContact O-N 3.36Å; A238-D244 HydrophobicContact CB-CB 3.75Å
239	E	90.7	Very high	94	Very high	175 Å²	175	58.4 Å²	58.4	82%	0.818	29%	0.29	S	S	*	.	S	Bend	trans	-70.9	-29	179.4	-46.7	-175.4	162.5	0	0	111.6	E243	E239-E243 WeakPolarHBondContact CB-OE2 3.22Å; E239-E243 VanDerWaalsContact CG-OE2 3.29Å; E239-E243 WeakPolarHBondContact CG-OE2 3.17Å; E239-E243 PolarHBondContact N-OE2 3.24Å
240	S	94.8	Very high	94	Very high	48 Å²	48	62.6 Å²	62.6	34%	0.336	31%	0.308	S	S	.	.			trans	-152.4	160.3	176.4	62	0	0	0	0	112.1	A238 E242 E243 D244	A238-S240 VanDerWaalsContact C-N 3.28Å; A238-S240 PolarHBondContact O-N 3.36Å; S240-E242 VanDerWaalsContact C-N 3.29Å; S240-E242 PolarHBondContact O-N 2.87Å; S240-E243 PolarHBondContact O-N 2.73Å; S240-E243 VanDerWaalsContact OG-CB 3.27Å; S240-E243 WeakPolarHBondContact OG-CB 3.16Å; S240-E243 PolarHBondContact OG-N 3.35Å; S240-D244 PolarHBondContact O-N 3.4Å; S240-D244 VanDerWaalsContact O-N 3.09Å
241	F	94.7	Very high	93.9	Very high	66 Å²	66	63.6 Å²	63.6	29%	0.289	31%	0.312	S	S	.	.	H	α-helix	trans	-62.6	-38.4	174.3	177	-109.4	0	0	0	111.7	E243 D244 L245 F273 A276	F241-E243 VanDerWaalsContact C-N 3.32Å; F241-E243 PolarHBondContact O-N 3.29Å; F241-D244 PolarHBondContact O-N 2.87Å; F241-L245 HydrophobicContact CD1-CD1 3.96Å; F241-L245 HydrophobicContact CE1-CD1 3.43Å; F241-L245 VanDerWaalsContact CE1-CD1 3.43Å; F241-L245 HydrophobicContact CE1-CG 4.15Å; F241-L245 HydrophobicContact CE2-CD1 4.49Å; F241-L245 HydrophobicContact CE2-CG 4.37Å; F241-L245 HydrophobicContact CZ-CD1 3.75Å; F241-L245 HydrophobicContact CZ-CD2 4.36Å; F241-L245 HydrophobicContact CZ-CG 4.07Å; F241-L245 WeakPolarHBondContact O-CB 3.41Å; F241-L245 WeakPolarHBondContact O-CG 3.26Å; F241-L245 PolarHBondContact O-N 3.09Å; F241-F273 HydrophobicContact CE2-CD2 4.08Å; F241-F273 HydrophobicContact CZ-CD2 4.07Å; F241-A276 HydrophobicContact CE1-CB 4.22Å; F241-A276 HydrophobicContact CZ-CB 4.42Å
242	E	95.7	Very high	94	Very high	122 Å²	122	62.1 Å²	62.1	57%	0.57	31%	0.308	S	S	*	.	H	α-helix	trans	-65.3	-35.2	178.2	-66.8	76	-170.5	0	0	112.4	S240 K246	S240-E242 VanDerWaalsContact C-N 3.29Å; S240-E242 PolarHBondContact O-N 2.87Å; E242-K246 WeakPolarHBondContact O-CG 3.47Å; E242-K246 PolarHBondContact O-N 2.84Å
243	E	94.5	Very high	94.1	Very high	58 Å²	58	65.9 Å²	65.9	27%	0.271	34%	0.335	S	S	.	.	H	α-helix	trans	-72.3	-44.1	175	-174.9	175.4	-146.3	0	0	112	E239 S240 F241 L245 K246 H247	E239-E243 WeakPolarHBondContact CB-OE2 3.22Å; E239-E243 VanDerWaalsContact CG-OE2 3.29Å; E239-E243 WeakPolarHBondContact CG-OE2 3.17Å; E239-E243 PolarHBondContact N-OE2 3.24Å; S240-E243 PolarHBondContact O-N 2.73Å; S240-E243 VanDerWaalsContact OG-CB 3.27Å; S240-E243 WeakPolarHBondContact OG-CB 3.16Å; S240-E243 PolarHBondContact OG-N 3.35Å; F241-E243 VanDerWaalsContact C-N 3.32Å; F241-E243 PolarHBondContact O-N 3.29Å; E243-L245 PolarHBondContact O-N 3.1Å; E243-K246 WeakPolarHBondContact O-CB 3.15Å; E243-K246 PolarHBondContact O-N 3.2Å; E243-H247 PolarHBondContact O-CD2 3.12Å; E243-H247 PolarHBondContact O-N 3.04Å; E243-H247 IonicContact OE1-NE2 3.91Å
244	D	95.8	Very high	94.3	Very high	16 Å²	16	61.5 Å²	61.5	9%	0.086	32%	0.32	C	S	.	.	H	α-helix	trans	-57.7	-39.6	174.7	-169.6	36.9	0	0	0	111.5	G234 H235 A238 S240 F241 K246 H247 L248	G234-D244 WeakPolarHBondContact CA-OD2 3.25Å; H235-D244 PolarHBondContact N-OD2 3.47Å; A238-D244 HydrophobicContact CB-CB 3.75Å; S240-D244 PolarHBondContact O-N 3.4Å; S240-D244 VanDerWaalsContact O-N 3.09Å; F241-D244 PolarHBondContact O-N 2.87Å; D244-K246 PolarHBondContact O-N 2.9Å; D244-H247 PolarHBondContact O-N 3.4Å; D244-L248 WeakPolarHBondContact O-CB 3.47Å; D244-L248 PolarHBondContact O-N 2.87Å
245	L	96.4	Very high	94.5	Very high	10 Å²	10	61.8 Å²	61.8	5%	0.052	32%	0.323	C	S	.	.	H	α-helix	trans	-63.3	-38.3	173.8	-81.7	-177.8	0	0	0	113.4	F241 E243 L248 K249 F273 A276 I280	F241-L245 HydrophobicContact CD1-CD1 3.96Å; F241-L245 HydrophobicContact CE1-CD1 3.43Å; F241-L245 VanDerWaalsContact CE1-CD1 3.43Å; F241-L245 HydrophobicContact CE1-CG 4.15Å; F241-L245 HydrophobicContact CE2-CD1 4.49Å; F241-L245 HydrophobicContact CE2-CG 4.37Å; F241-L245 HydrophobicContact CZ-CD1 3.75Å; F241-L245 HydrophobicContact CZ-CD2 4.36Å; F241-L245 HydrophobicContact CZ-CG 4.07Å; F241-L245 WeakPolarHBondContact O-CB 3.41Å; F241-L245 WeakPolarHBondContact O-CG 3.26Å; F241-L245 PolarHBondContact O-N 3.09Å; E243-L245 PolarHBondContact O-N 3.1Å; L245-L248 HydrophobicContact CD2-CD2 4.39Å; L245-L248 PolarHBondContact O-N 3.12Å; L245-K249 PolarHBondContact O-N 3.33Å; L245-F273 HydrophobicContact CD2-CD2 4.17Å; L245-F273 HydrophobicContact CD2-CE2 3.76Å; L245-A276 HydrophobicContact CD1-CB 3.7Å; L245-I280 HydrophobicContact CB-CD1 3.96Å; L245-I280 HydrophobicContact CD2-CD1 4.44Å; L245-I280 WeakPolarHBondContact O-CD1 3.45Å
246	K	96.3	Very high	94.8	Very high	135 Å²	135	60.9 Å²	60.9	59%	0.587	32%	0.321	S	S	*	.	H	α-helix	trans	-63.8	-45.6	174.5	-72.7	170.6	-172.7	170.5	0	111	E242 E243 D244 L248 K249 E250	E242-K246 WeakPolarHBondContact O-CG 3.47Å; E242-K246 PolarHBondContact O-N 2.84Å; E243-K246 WeakPolarHBondContact O-CB 3.15Å; E243-K246 PolarHBondContact O-N 3.2Å; D244-K246 PolarHBondContact O-N 2.9Å; K246-L248 VanDerWaalsContact C-N 3.32Å; K246-L248 PolarHBondContact O-N 3.3Å; K246-K249 WeakPolarHBondContact O-CB 3.19Å; K246-K249 PolarHBondContact O-N 3.37Å; K246-K249 VanDerWaalsContact O-N 3.15Å; K246-E250 WeakPolarHBondContact O-CG 3.48Å; K246-E250 PolarHBondContact O-N 2.92Å
247	H	95.6	Very high	95.4	Very high	68 Å²	68	59 Å²	59	32%	0.315	31%	0.307	S	S	.	.	H	α-helix	trans	-65.5	-35.1	176.2	-67.3	-47.8	0	0	0	112.6	E243 D244 E250 K251	E243-H247 PolarHBondContact O-CD2 3.12Å; E243-H247 PolarHBondContact O-N 3.04Å; E243-H247 IonicContact OE1-NE2 3.91Å; D244-H247 PolarHBondContact O-N 3.4Å; H247-E250 IonicContact CE1-OE2 3.71Å; H247-E250 IonicContact ND1-OE2 3.88Å; H247-E250 PolarHBondContact ND1-OE2 3.44Å; H247-E250 WeakPolarHBondContact O-CB 3.25Å; H247-E250 PolarHBondContact O-N 3.26Å; H247-K251 WeakPolarHBondContact O-CG 3.23Å; H247-K251 PolarHBondContact O-N 3.13Å
248	L	97.7	Very high	96	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-60.4	-45.3	170.8	-178.1	61.3	0	0	0	111.6	V228 D244 L245 K246 E250 K251 V252 I259 F273 I282	V228-L248 HydrophobicContact CG2-CD1 4.31Å; D244-L248 WeakPolarHBondContact O-CB 3.47Å; D244-L248 PolarHBondContact O-N 2.87Å; L245-L248 HydrophobicContact CD2-CD2 4.39Å; L245-L248 PolarHBondContact O-N 3.12Å; K246-L248 VanDerWaalsContact C-N 3.32Å; K246-L248 PolarHBondContact O-N 3.3Å; L248-E250 VanDerWaalsContact C-N 3.31Å; L248-E250 PolarHBondContact O-N 2.99Å; L248-K251 WeakPolarHBondContact O-CB 3.37Å; L248-K251 PolarHBondContact O-N 2.7Å; L248-V252 WeakPolarHBondContact O-CG2 3.47Å; L248-V252 PolarHBondContact O-N 3.29Å; L248-I259 HydrophobicContact CD1-CD1 4.01Å; L248-I259 HydrophobicContact CD1-CG1 4.26Å; L248-I259 HydrophobicContact CD2-CD1 4.15Å; L248-I259 HydrophobicContact CG-CD1 4.2Å; L248-F273 HydrophobicContact CD2-CE2 4.02Å; L248-F273 HydrophobicContact CD2-CZ 3.54Å; L248-I282 HydrophobicContact CD2-CD1 4.1Å; L248-I282 HydrophobicContact CG-CD1 3.94Å
249	K	97.8	Very high	96.5	Very high	88 Å²	88	53 Å²	53	38%	0.383	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-38.9	175.3	-177.4	178.1	178.3	176.2	0	112.1	L245 K246 V252 S253 I280 I282	L245-K249 PolarHBondContact O-N 3.33Å; K246-K249 WeakPolarHBondContact O-CB 3.19Å; K246-K249 PolarHBondContact O-N 3.37Å; K246-K249 VanDerWaalsContact O-N 3.15Å; K249-V252 PolarHBondContact O-N 3.45Å; K249-S253 VanDerWaalsContact O-CB 3.29Å; K249-S253 WeakPolarHBondContact O-CB 3.35Å; K249-S253 PolarHBondContact O-N 2.85Å; K249-S253 PolarHBondContact O-OG 2.91Å; K249-I280 HydrophobicContact CB-CD1 4.06Å; K249-I280 HydrophobicContact CD-CB 4.46Å; K249-I280 HydrophobicContact CD-CD1 4.48Å; K249-I280 HydrophobicContact CD-CG1 4.44Å; K249-I280 WeakPolarHBondContact CD-O 3.32Å; K249-I280 WeakPolarHBondContact CE-O 3.42Å; K249-I280 PolarHBondContact NZ-O 3.19Å; K249-I282 HydrophobicContact CB-CD1 4.18Å; K249-I282 HydrophobicContact CB-CG1 4.17Å; K249-I282 HydrophobicContact CG-CG1 4.32Å
250	E	96.9	Very high	96.8	Very high	100 Å²	100	44.7 Å²	44.7	47%	0.467	24%	0.235	S	C	.	.	H	α-helix	trans	-62.7	-45	174.7	-71.1	170.1	174.8	0	0	111.9	K246 H247 L248 V252 S253 A254	K246-E250 WeakPolarHBondContact O-CG 3.48Å; K246-E250 PolarHBondContact O-N 2.92Å; H247-E250 IonicContact CE1-OE2 3.71Å; H247-E250 IonicContact ND1-OE2 3.88Å; H247-E250 PolarHBondContact ND1-OE2 3.44Å; H247-E250 WeakPolarHBondContact O-CB 3.25Å; H247-E250 PolarHBondContact O-N 3.26Å; L248-E250 VanDerWaalsContact C-N 3.31Å; L248-E250 PolarHBondContact O-N 2.99Å; E250-V252 VanDerWaalsContact C-N 3.35Å; E250-V252 PolarHBondContact O-N 3.15Å; E250-S253 PolarHBondContact O-N 2.91Å; E250-A254 WeakPolarHBondContact O-CB 3.4Å; E250-A254 PolarHBondContact O-N 2.74Å
251	K	96	Very high	97	Very high	23 Å²	23	42.5 Å²	42.5	10%	0.1	22%	0.219	C	C	.	.	H	α-helix	trans	-57.2	-46.7	173.9	-74.4	-178.9	-65.3	-178.4	0	111.7	A209 T210 V228 A229 H247 L248 A254	A209-K251 HydrophobicContact CB-CD 4.01Å; T210-K251 WeakPolarHBondContact OG1-CG 3.44Å; V228-K251 HydrophobicContact CG1-CB 4.4Å; V228-K251 HydrophobicContact CG2-CB 4.39Å; A229-K251 PolarHBondContact O-NZ 3.21Å; H247-K251 WeakPolarHBondContact O-CG 3.23Å; H247-K251 PolarHBondContact O-N 3.13Å; L248-K251 WeakPolarHBondContact O-CB 3.37Å; L248-K251 PolarHBondContact O-N 2.7Å; K251-A254 PolarHBondContact O-N 3.04Å
252	V	97.8	Very high	97	Very high	22 Å²	22	41.9 Å²	41.9	13%	0.133	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-48.1	178.1	173.6	0	0	0	0	110.7	L248 K249 E250 A254 G255 A256 I259 I282	L248-V252 WeakPolarHBondContact O-CG2 3.47Å; L248-V252 PolarHBondContact O-N 3.29Å; K249-V252 PolarHBondContact O-N 3.45Å; E250-V252 VanDerWaalsContact C-N 3.35Å; E250-V252 PolarHBondContact O-N 3.15Å; V252-A254 PolarHBondContact O-N 3.4Å; V252-G255 PolarHBondContact O-N 3.06Å; V252-A256 PolarHBondContact O-N 3.35Å; V252-A256 VanDerWaalsContact O-N 3.13Å; V252-I259 HydrophobicContact CG2-CD1 3.79Å; V252-I259 HydrophobicContact CG2-CG1 4.13Å; V252-I282 HydrophobicContact CG2-CG2 4.32Å
253	S	97.5	Very high	96.9	Very high	90 Å²	90	36.4 Å²	36.4	63%	0.629	19%	0.192	S	C	*	.	H	α-helix	trans	-65.1	-25.7	-178.7	-54.9	0	0	0	0	113	K249 E250 G255	K249-S253 VanDerWaalsContact O-CB 3.29Å; K249-S253 WeakPolarHBondContact O-CB 3.35Å; K249-S253 PolarHBondContact O-N 2.85Å; K249-S253 PolarHBondContact O-OG 2.91Å; E250-S253 PolarHBondContact O-N 2.91Å; S253-G255 PolarHBondContact O-N 3.2Å
254	A	97.6	Very high	96.9	Very high	23 Å²	23	34 Å²	34	19%	0.19	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-15	172.9	0	0	0	0	0	113.3	T210 V213 K214 E250 K251 V252	T210-A254 HydrophobicContact CG2-CB 3.97Å; V213-A254 HydrophobicContact CB-CB 4.18Å; V213-A254 HydrophobicContact CG1-CB 3.78Å; K214-A254 HydrophobicContact CG-CB 3.92Å; E250-A254 WeakPolarHBondContact O-CB 3.4Å; E250-A254 PolarHBondContact O-N 2.74Å; K251-A254 PolarHBondContact O-N 3.04Å; V252-A254 PolarHBondContact O-N 3.4Å
255	G	97.1	Very high	96.7	Very high	24 Å²	24	34.6 Å²	34.6	25%	0.247	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	125.1	28.6	172.1	0	0	0	0	0	115	R217 V252 S253	R217-G255 VanDerWaalsContact CZ-O 3.26Å; R217-G255 PolarHBondContact NE-O 2.95Å; R217-G255 PolarHBondContact NH2-O 3.33Å; V252-G255 PolarHBondContact O-N 3.06Å; S253-G255 PolarHBondContact O-N 3.2Å
256	A	97.9	Very high	96.6	Very high	11 Å²	11	39 Å²	39	9%	0.091	20%	0.202	C	C	.	.			trans	-78.8	142.5	171.5	0	0	0	0	0	111.2	V228 V252	V228-A256 HydrophobicContact CB-CB 4.46Å; V228-A256 HydrophobicContact CG1-CB 3.75Å; V228-A256 HydrophobicContact CG2-CB 3.92Å; V252-A256 PolarHBondContact O-N 3.35Å; V252-A256 VanDerWaalsContact O-N 3.13Å
257	D	98.2	Very high	96.6	Very high	29 Å²	29	32.8 Å²	32.8	16%	0.155	18%	0.176	C	C	.	.			trans	-90.9	-29.7	-176	-61.5	-78	0	0	0	113	R80 R217 D225 I226 C284 P285	R80-D257 HydrophobicContact CB-CB 4.25Å; R80-D257 WeakPolarHBondContact CD-OD1 3.42Å; R80-D257 IonicContact CZ-OD1 3.74Å; R80-D257 IonicContact NE-OD1 2.71Å; R80-D257 IonicContact NH1-OD1 2.68Å; R80-D257 PolarHBondContact NH1-OD1 3.14Å; R217-D257 IonicContact NH2-OD1 2.86Å; R217-D257 IonicContact NH2-OD2 3.69Å; R217-D257 PolarHBondContact NH2-OD2 3.37Å; D225-D257 VanDerWaalsContact CA-OD2 3.32Å; D225-D257 WeakPolarHBondContact CA-OD2 3.47Å; I226-D257 PolarHBondContact N-OD2 3.11Å; I226-D257 PolarHBondContact O-N 3.17Å; D257-C284 WeakPolarHBondContact O-CB 3.15Å; D257-P285 WeakPolarHBondContact O-CD 3.48Å
258	F	98.3	Very high	96.6	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	169.5	176.2	66.3	-83.2	0	0	0	112.8	L79 M83 F124 C227 V228 I260 P285 L287	L79-F258 HydrophobicContact CD2-CE1 4.03Å; L79-F258 HydrophobicContact CD2-CZ 4.01Å; M83-F258 HydrophobicContact CE-CD1 4.07Å; M83-F258 HydrophobicContact CE-CD2 4.03Å; M83-F258 HydrophobicContact CE-CE1 3.77Å; M83-F258 HydrophobicContact CE-CE2 3.73Å; M83-F258 HydrophobicContact CE-CG 4.19Å; M83-F258 HydrophobicContact CE-CZ 3.58Å; M83-F258 HydrophobicContact SD-CB 4.45Å; M83-F258 HydrophobicContact SD-CD1 3.89Å; M83-F258 HydrophobicContact SD-CD2 4.37Å; M83-F258 HydrophobicContact SD-CE1 4.14Å; M83-F258 HydrophobicContact SD-CG 4.01Å; M83-F258 HydrophobicContact SD-CZ 4.48Å; F124-F258 HydrophobicContact CZ-CE2 4.17Å; F124-F258 HydrophobicContact CZ-CZ 4.41Å; C227-F258 VanDerWaalsContact CA-O 3.28Å; C227-F258 WeakPolarHBondContact CA-O 3.37Å; C227-F258 HydrophobicContact CB-CD1 3.9Å; C227-F258 HydrophobicContact CB-CD2 3.66Å; C227-F258 HydrophobicContact CB-CE1 3.63Å; C227-F258 HydrophobicContact CB-CE2 3.37Å; C227-F258 HydrophobicContact CB-CG 3.93Å; C227-F258 HydrophobicContact CB-CZ 3.36Å; C227-F258 WeakPolarHBondContact CB-O 3.4Å; V228-F258 PolarHBondContact N-O 3.08Å; F258-I260 HydrophobicContact CD2-CG1 4.25Å; F258-I260 HydrophobicContact CE2-CD1 3.98Å; F258-I260 HydrophobicContact CE2-CG1 3.9Å; F258-P285 WeakPolarHBondContact CA-O 3.29Å; F258-P285 HydrophobicContact CB-CB 4.2Å; F258-P285 HydrophobicContact CB-CG 4.44Å; F258-P285 WeakPolarHBondContact CB-O 3.49Å; F258-L287 HydrophobicContact CD2-CD1 3.73Å; F258-L287 HydrophobicContact CD2-CG 4.34Å; F258-L287 HydrophobicContact CE2-CD1 3.81Å
259	I	98.6	Very high	96.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.8	-178.7	-63.3	160.7	0	0	0	110.1	V228 L248 V252 I282 P285 I286 L287	V228-I259 HydrophobicContact CG2-CG1 3.97Å; V228-I259 WeakPolarHBondContact O-CA 3.43Å; L248-I259 HydrophobicContact CD1-CD1 4.01Å; L248-I259 HydrophobicContact CD1-CG1 4.26Å; L248-I259 HydrophobicContact CD2-CD1 4.15Å; L248-I259 HydrophobicContact CG-CD1 4.2Å; V252-I259 HydrophobicContact CG2-CD1 3.79Å; V252-I259 HydrophobicContact CG2-CG1 4.13Å; I259-I282 HydrophobicContact CD1-CG2 3.91Å; I259-P285 PolarHBondContact N-O 3.22Å; I259-I286 HydrophobicContact CB-CG1 4.33Å; I259-I286 HydrophobicContact CB-CG2 4.39Å; I259-I286 HydrophobicContact CD1-CD1 4.41Å; I259-I286 HydrophobicContact CD1-CG1 4.06Å; I259-I286 HydrophobicContact CG2-CG2 4.27Å; I259-L287 PolarHBondContact O-N 3.36Å
260	I	98.5	Very high	96.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128	164.5	-62.2	170.7	0	0	0	107.9	F124 D126 M188 V228 A229 G230 F258 L287 H353	F124-I260 HydrophobicContact CE2-CD1 4.34Å; F124-I260 HydrophobicContact CZ-CD1 4.35Å; D126-I260 WeakPolarHBondContact OD2-CD1 3.26Å; M188-I260 HydrophobicContact CE-CB 3.91Å; M188-I260 HydrophobicContact CE-CD1 4.33Å; M188-I260 HydrophobicContact CE-CG2 4.47Å; M188-I260 HydrophobicContact SD-CD1 4.49Å; V228-I260 PolarHBondContact O-N 3.42Å; V228-I260 VanDerWaalsContact O-N 3.08Å; A229-I260 WeakPolarHBondContact CA-O 3.35Å; G230-I260 PolarHBondContact N-O 3.36Å; F258-I260 HydrophobicContact CD2-CG1 4.25Å; F258-I260 HydrophobicContact CE2-CD1 3.98Å; F258-I260 HydrophobicContact CE2-CG1 3.9Å; I260-L287 HydrophobicContact CG1-CB 4.38Å; I260-L287 HydrophobicContact CG1-CD1 4.05Å; I260-H353 HydrophobicContact CG2-CB 4.29Å
261	T	97.9	Very high	96.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	148.2	-179.4	74.9	0	0	0	0	111.9	G230 P232 F270 F273 I286 L287 P288 G289 Y355	G230-T261 CarbonylContact O-C 3.5Å; G230-T261 VanDerWaalsContact O-CA 3.25Å; G230-T261 WeakPolarHBondContact O-CA 3Å; P232-T261 HydrophobicContact CG-CG2 4.08Å; T261-F270 HydrophobicContact CG2-CD2 4.02Å; T261-F270 HydrophobicContact CG2-CE2 3.69Å; T261-F273 HydrophobicContact CG2-CD1 4.19Å; T261-F273 HydrophobicContact CG2-CE1 3.8Å; T261-I286 HydrophobicContact CG2-CG2 3.62Å; T261-L287 PolarHBondContact N-O 3.19Å; T261-L287 PolarHBondContact OG1-O 3.14Å; T261-P288 WeakPolarHBondContact OG1-CA 3.48Å; T261-G289 WeakPolarHBondContact O-CA 3.32Å; T261-G289 PolarHBondContact O-N 2.88Å; T261-G289 PolarHBondContact OG1-N 2.87Å; T261-Y355 PolarHBondContact O-OH 3.06Å
262	Q	94.6	Very high	96.7	Very high	54 Å²	54	30.4 Å²	30.4	25%	0.252	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-54.1	155.8	159.3	-173.9	57.5	-84.7	0	0	110.7	G230 Y231 L308	G230-Q262 PolarHBondContact O-N 3.15Å; Y231-Q262 HydrophobicContact CD1-CB 3.84Å; Y231-Q262 HydrophobicContact CD1-CG 4.2Å; Y231-Q262 HydrophobicContact CE1-CB 4.24Å; Y231-Q262 HydrophobicContact CE1-CG 4.46Å; Q262-L308 HydrophobicContact CG-CD1 4.32Å
263	L	93.6	Very high	96.7	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.031	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-59.6	155.5	178.3	70.6	101	0	0	0	113.9	F265 G289 F291 L302 L308 Y355	L263-F265 HydrophobicContact CD1-CE2 4.15Å; L263-F265 HydrophobicContact CD1-CZ 4.1Å; L263-G289 WeakPolarHBondContact CA-O 3.31Å; L263-F291 HydrophobicContact CB-CB 4.26Å; L263-L302 HydrophobicContact CD1-CD2 3.72Å; L263-L302 HydrophobicContact CD2-CD1 3.61Å; L263-L302 HydrophobicContact CD2-CD2 3.36Å; L263-L302 HydrophobicContact CD2-CG 3.52Å; L263-L302 HydrophobicContact CG-CD2 4.19Å; L263-L308 HydrophobicContact CD1-CD1 3.49Å; L263-L308 VanDerWaalsContact CD1-CD1 3.49Å; L263-L308 HydrophobicContact CG-CD1 3.76Å; L263-L308 WeakPolarHBondContact O-CD1 3Å; L263-Y355 HydrophobicContact CB-CD2 4.29Å; L263-Y355 HydrophobicContact CB-CE2 3.97Å
264	F	94.5	Very high	96.7	Very high	9 Å²	9	25.9 Å²	25.9	4%	0.039	15%	0.148	C	C	.	.			trans	-151.4	164.5	175.8	54.6	-87.3	0	0	0	109.8	P232 E266 T269 F270 P288 I290 L339 L343	P232-F264 HydrophobicContact CG-CD1 4.14Å; F264-E266 WeakPolarHBondContact CD2-O 3.18Å; F264-T269 HydrophobicContact CB-CG2 4.32Å; F264-F270 HydrophobicContact CD1-CB 4.27Å; F264-F270 HydrophobicContact CD1-CD2 4.5Å; F264-F270 HydrophobicContact CD2-CB 4.11Å; F264-F270 HydrophobicContact CE1-CB 3.79Å; F264-F270 AromaticContact CE1-CD2 3.66Å; F264-F270 HydrophobicContact CE1-CD2 3.66Å; F264-F270 AromaticContact CE1-CG 4Å; F264-F270 HydrophobicContact CE1-CG 4Å; F264-F270 HydrophobicContact CE2-CB 3.59Å; F264-F270 HydrophobicContact CE2-CG 4.36Å; F264-F270 HydrophobicContact CG-CB 4.42Å; F264-F270 HydrophobicContact CZ-CB 3.42Å; F264-F270 VanDerWaalsContact CZ-CB 3.42Å; F264-F270 AromaticContact CZ-CD2 3.85Å; F264-F270 HydrophobicContact CZ-CD2 3.85Å; F264-F270 AromaticContact CZ-CG 3.73Å; F264-F270 HydrophobicContact CZ-CG 3.73Å; F264-P288 HydrophobicContact CE1-CB 3.68Å; F264-P288 HydrophobicContact CZ-CB 3.51Å; F264-I290 HydrophobicContact CZ-CD1 4.08Å; F264-L339 HydrophobicContact CD2-CD1 4.39Å; F264-L339 HydrophobicContact CD2-CD2 4.46Å; F264-L339 HydrophobicContact CE2-CD1 4Å; F264-L339 HydrophobicContact CE2-CD2 4.22Å; F264-L339 HydrophobicContact CE2-CG 4.41Å; F264-L343 HydrophobicContact CE2-CD1 3.93Å; F264-L343 HydrophobicContact CE2-CD2 4.19Å; F264-L343 HydrophobicContact CZ-CD1 3.76Å; F264-L343 HydrophobicContact CZ-CD2 4.19Å
265	F	91.9	Very high	96.7	Very high	28 Å²	28	31.2 Å²	31.2	12%	0.123	17%	0.167	C	C	.	.	S	Bend	trans	-110.2	-11.6	-176.6	-63.8	-73.6	0	0	0	114	L263 L299 V310 P311 I314	L263-F265 HydrophobicContact CD1-CE2 4.15Å; L263-F265 HydrophobicContact CD1-CZ 4.1Å; F265-L299 HydrophobicContact CE1-CD1 4.44Å; F265-L299 HydrophobicContact CZ-CD1 4.3Å; F265-V310 HydrophobicContact CE2-CG2 4.28Å; F265-V310 HydrophobicContact CZ-CG1 4.43Å; F265-V310 HydrophobicContact CZ-CG2 4.09Å; F265-P311 HydrophobicContact CB-CG 3.66Å; F265-P311 VanDerWaalsContact CD2-CD 3.42Å; F265-P311 HydrophobicContact CD2-CG 4.18Å; F265-P311 HydrophobicContact CG-CG 4.08Å; F265-I314 HydrophobicContact CB-CD1 4.08Å; F265-I314 HydrophobicContact CD1-CD1 3.72Å; F265-I314 HydrophobicContact CE1-CD1 4.47Å; F265-I314 HydrophobicContact CG-CD1 4.09Å
266	E	94.2	Very high	96.8	Very high	101 Å²	101	30.8 Å²	30.8	47%	0.472	16%	0.161	S	C	.	.			trans	-131.6	129.7	-175.7	-65.7	174	-168.6	0	0	110.4	F264 N268 T269	F264-E266 WeakPolarHBondContact CD2-O 3.18Å; E266-N268 VanDerWaalsContact C-N 3.28Å; E266-N268 PolarHBondContact O-N 2.76Å; E266-T269 VanDerWaalsContact O-CB 3.31Å; E266-T269 WeakPolarHBondContact O-CB 3.36Å; E266-T269 PolarHBondContact O-N 2.86Å; E266-T269 VanDerWaalsContact O-N 3.09Å
267	A	96.6	Very high	96.8	Very high	5 Å²	5	30.3 Å²	30.3	4%	0.041	16%	0.157	C	C	.	.	H	α-helix	trans	-56.7	-41.3	-177.5	0	0	0	0	0	112.3	T269 F270 L271 L339 E342 L343	A267-T269 PolarHBondContact O-N 2.87Å; A267-T269 VanDerWaalsContact O-N 3.16Å; A267-F270 PolarHBondContact O-N 3.25Å; A267-L271 WeakPolarHBondContact O-CG 3.49Å; A267-L271 PolarHBondContact O-N 2.82Å; A267-L339 HydrophobicContact CB-CD1 3.95Å; A267-L339 VanDerWaalsContact N-CD1 3.34Å; A267-E342 HydrophobicContact CB-CB 3.94Å; A267-E342 WeakPolarHBondContact CB-OE2 3.42Å; A267-L343 HydrophobicContact CB-CD2 4.16Å; A267-L343 HydrophobicContact CB-CG 4.36Å
268	N	96.7	Very high	96.7	Very high	111 Å²	111	33.1 Å²	33.1	59%	0.594	18%	0.176	S	C	*	.	H	α-helix	trans	-60.8	-27.4	-178.9	-170.9	57.4	0	0	0	113.5	E266 S272	E266-N268 VanDerWaalsContact C-N 3.28Å; E266-N268 PolarHBondContact O-N 2.76Å; N268-S272 VanDerWaalsContact O-CB 3.27Å; N268-S272 WeakPolarHBondContact O-CB 3.36Å; N268-S272 PolarHBondContact O-N 2.85Å; N268-S272 PolarHBondContact O-OG 3.22Å
269	T	96.5	Very high	96.6	Very high	20 Å²	20	39.7 Å²	39.7	12%	0.123	21%	0.206	C	C	.	.	H	α-helix	trans	-61.2	-47.8	174	-62.3	0	0	0	0	110.1	P232 K233 F264 E266 A267 F273	P232-T269 HydrophobicContact CB-CG2 3.82Å; K233-T269 HydrophobicContact CD-CG2 4.36Å; K233-T269 HydrophobicContact CG-CG2 3.61Å; F264-T269 HydrophobicContact CB-CG2 4.32Å; E266-T269 VanDerWaalsContact O-CB 3.31Å; E266-T269 WeakPolarHBondContact O-CB 3.36Å; E266-T269 PolarHBondContact O-N 2.86Å; E266-T269 VanDerWaalsContact O-N 3.09Å; A267-T269 PolarHBondContact O-N 2.87Å; A267-T269 VanDerWaalsContact O-N 3.16Å; T269-F273 PolarHBondContact O-N 3.48Å
270	F	97.8	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.3	-45.1	178.6	175.9	-90.9	0	0	0	112.3	T261 F264 A267 S272 F273 V274 I286 P288 L343 V349	T261-F270 HydrophobicContact CG2-CD2 4.02Å; T261-F270 HydrophobicContact CG2-CE2 3.69Å; F264-F270 HydrophobicContact CD1-CB 4.27Å; F264-F270 HydrophobicContact CD1-CD2 4.5Å; F264-F270 HydrophobicContact CD2-CB 4.11Å; F264-F270 HydrophobicContact CE1-CB 3.79Å; F264-F270 AromaticContact CE1-CD2 3.66Å; F264-F270 HydrophobicContact CE1-CD2 3.66Å; F264-F270 AromaticContact CE1-CG 4Å; F264-F270 HydrophobicContact CE1-CG 4Å; F264-F270 HydrophobicContact CE2-CB 3.59Å; F264-F270 HydrophobicContact CE2-CG 4.36Å; F264-F270 HydrophobicContact CG-CB 4.42Å; F264-F270 HydrophobicContact CZ-CB 3.42Å; F264-F270 VanDerWaalsContact CZ-CB 3.42Å; F264-F270 AromaticContact CZ-CD2 3.85Å; F264-F270 HydrophobicContact CZ-CD2 3.85Å; F264-F270 AromaticContact CZ-CG 3.73Å; F264-F270 HydrophobicContact CZ-CG 3.73Å; A267-F270 PolarHBondContact O-N 3.25Å; F270-S272 VanDerWaalsContact C-N 3.3Å; F270-S272 PolarHBondContact O-N 3.24Å; F270-F273 WeakPolarHBondContact O-CB 3.42Å; F270-F273 PolarHBondContact O-N 3.04Å; F270-F273 VanDerWaalsContact O-N 3.11Å; F270-V274 HydrophobicContact CD1-CG2 3.99Å; F270-V274 HydrophobicContact CE1-CG2 3.42Å; F270-V274 VanDerWaalsContact CE1-CG2 3.42Å; F270-V274 HydrophobicContact CE2-CG2 4.11Å; F270-V274 HydrophobicContact CZ-CG2 3.5Å; F270-V274 VanDerWaalsContact CZ-CG2 3.5Å; F270-V274 WeakPolarHBondContact O-CG2 3.15Å; F270-V274 PolarHBondContact O-N 3.31Å; F270-I286 HydrophobicContact CE2-CG2 3.92Å; F270-I286 HydrophobicContact CZ-CG2 4.12Å; F270-P288 HydrophobicContact CD1-CB 4.5Å; F270-P288 HydrophobicContact CD2-CB 3.76Å; F270-P288 HydrophobicContact CE1-CB 4.37Å; F270-P288 HydrophobicContact CE2-CB 3.58Å; F270-P288 HydrophobicContact CE2-CG 4.27Å; F270-P288 HydrophobicContact CG-CB 4.22Å; F270-P288 HydrophobicContact CZ-CB 3.92Å; F270-P288 HydrophobicContact CZ-CG 4.14Å; F270-L343 HydrophobicContact CB-CD2 4.12Å; F270-L343 HydrophobicContact CD1-CD2 3.59Å; F270-L343 HydrophobicContact CE1-CD2 4.36Å; F270-L343 HydrophobicContact CG-CD2 4.07Å; F270-V349 HydrophobicContact CD1-CG2 4.23Å; F270-V349 HydrophobicContact CE1-CG2 3.49Å; F270-V349 VanDerWaalsContact CE1-CG2 3.49Å; F270-V349 HydrophobicContact CZ-CG2 4.2Å
271	L	97.7	Very high	96.4	Very high	43 Å²	43	44.7 Å²	44.7	23%	0.225	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-38.8	-179.1	-61.2	175.8	0	0	0	112	A267 V274 K275 L348	A267-L271 WeakPolarHBondContact O-CG 3.49Å; A267-L271 PolarHBondContact O-N 2.82Å; L271-V274 PolarHBondContact O-N 3.47Å; L271-K275 PolarHBondContact O-N 3.08Å; L271-K275 VanDerWaalsContact O-N 3.09Å; L271-L348 HydrophobicContact CD2-CD1 4.18Å
272	S	97.6	Very high	96.4	Very high	58 Å²	58	45.1 Å²	45.1	41%	0.406	25%	0.247	S	C	.	.	H	α-helix	trans	-65.3	-40.9	174.6	-59.5	0	0	0	0	111.8	N268 F270 K275 A276	N268-S272 VanDerWaalsContact O-CB 3.27Å; N268-S272 WeakPolarHBondContact O-CB 3.36Å; N268-S272 PolarHBondContact O-N 2.85Å; N268-S272 PolarHBondContact O-OG 3.22Å; F270-S272 VanDerWaalsContact C-N 3.3Å; F270-S272 PolarHBondContact O-N 3.24Å; S272-K275 PolarHBondContact O-N 2.95Å; S272-A276 PolarHBondContact O-N 3.01Å
273	F	98.2	Very high	96.4	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-44.1	175.7	172.5	-103.1	0	0	0	112.5	P232 F241 L245 L248 T261 T269 F270 K275 A276 C277 I286	P232-F273 HydrophobicContact CB-CB 4.1Å; P232-F273 HydrophobicContact CB-CG 4.21Å; P232-F273 HydrophobicContact CG-CD1 4.45Å; F241-F273 HydrophobicContact CE2-CD2 4.08Å; F241-F273 HydrophobicContact CZ-CD2 4.07Å; L245-F273 HydrophobicContact CD2-CD2 4.17Å; L245-F273 HydrophobicContact CD2-CE2 3.76Å; L248-F273 HydrophobicContact CD2-CE2 4.02Å; L248-F273 HydrophobicContact CD2-CZ 3.54Å; T261-F273 HydrophobicContact CG2-CD1 4.19Å; T261-F273 HydrophobicContact CG2-CE1 3.8Å; T269-F273 PolarHBondContact O-N 3.48Å; F270-F273 WeakPolarHBondContact O-CB 3.42Å; F270-F273 PolarHBondContact O-N 3.04Å; F270-F273 VanDerWaalsContact O-N 3.11Å; F273-K275 VanDerWaalsContact C-N 3.32Å; F273-K275 PolarHBondContact O-N 2.77Å; F273-A276 PolarHBondContact O-N 3.08Å; F273-C277 VanDerWaalsContact CZ-SG 3.53Å; F273-C277 WeakPolarHBondContact O-CB 3.39Å; F273-C277 PolarHBondContact O-N 3Å; F273-C277 PolarHBondContact O-SG 3.31Å; F273-I286 HydrophobicContact CD1-CG2 4.38Å; F273-I286 HydrophobicContact CE1-CD1 4.5Å; F273-I286 HydrophobicContact CE1-CG2 3.94Å
274	V	97.7	Very high	96.5	Very high	15 Å²	15	49 Å²	49	9%	0.091	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-43.5	175.9	171.7	0	0	0	0	111.1	F270 L271 C277 T278 I286 L348	F270-V274 HydrophobicContact CD1-CG2 3.99Å; F270-V274 HydrophobicContact CE1-CG2 3.42Å; F270-V274 VanDerWaalsContact CE1-CG2 3.42Å; F270-V274 HydrophobicContact CE2-CG2 4.11Å; F270-V274 HydrophobicContact CZ-CG2 3.5Å; F270-V274 VanDerWaalsContact CZ-CG2 3.5Å; F270-V274 WeakPolarHBondContact O-CG2 3.15Å; F270-V274 PolarHBondContact O-N 3.31Å; L271-V274 PolarHBondContact O-N 3.47Å; V274-C277 PolarHBondContact O-N 3.05Å; V274-T278 PolarHBondContact O-N 2.91Å; V274-T278 PolarHBondContact O-OG1 3.34Å; V274-I286 HydrophobicContact CG2-CB 4.42Å; V274-I286 HydrophobicContact CG2-CD1 4.36Å; V274-I286 HydrophobicContact CG2-CG2 4.35Å; V274-L348 HydrophobicContact CG1-CD1 4.5Å
275	K	97.3	Very high	96.6	Very high	135 Å²	135	49.9 Å²	49.9	59%	0.587	29%	0.287	S	S	*	.	H	α-helix	trans	-60.3	-48.4	176.1	-177.2	179	172.1	-175.3	0	111.4	L271 S272 F273 C277 T278 E279	L271-K275 PolarHBondContact O-N 3.08Å; L271-K275 VanDerWaalsContact O-N 3.09Å; S272-K275 PolarHBondContact O-N 2.95Å; F273-K275 VanDerWaalsContact C-N 3.32Å; F273-K275 PolarHBondContact O-N 2.77Å; K275-C277 VanDerWaalsContact C-N 3.33Å; K275-C277 PolarHBondContact O-N 2.87Å; K275-T278 WeakPolarHBondContact O-CB 3.34Å; K275-T278 PolarHBondContact O-N 3.26Å; K275-T278 VanDerWaalsContact O-N 3.15Å; K275-E279 WeakPolarHBondContact CE-OE1 3.21Å; K275-E279 WeakPolarHBondContact O-CG 3.22Å; K275-E279 PolarHBondContact O-N 3.5Å
276	A	97.8	Very high	96.9	Very high	16 Å²	16	49.3 Å²	49.3	13%	0.132	29%	0.285	C	S	.	.	H	α-helix	trans	-61.3	-40.3	178.2	0	0	0	0	0	112.3	F241 L245 S272 F273 T278 E279 I280	F241-A276 HydrophobicContact CE1-CB 4.22Å; F241-A276 HydrophobicContact CZ-CB 4.42Å; L245-A276 HydrophobicContact CD1-CB 3.7Å; S272-A276 PolarHBondContact O-N 3.01Å; F273-A276 PolarHBondContact O-N 3.08Å; A276-T278 VanDerWaalsContact C-N 3.35Å; A276-T278 PolarHBondContact O-N 3.37Å; A276-E279 PolarHBondContact O-N 3.29Å; A276-I280 PolarHBondContact O-N 2.97Å
277	C	97.9	Very high	97.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-43	173.8	-69.9	0	0	0	0	112	F273 V274 K275 I280 G281 I282 I286	F273-C277 VanDerWaalsContact CZ-SG 3.53Å; F273-C277 WeakPolarHBondContact O-CB 3.39Å; F273-C277 PolarHBondContact O-N 3Å; F273-C277 PolarHBondContact O-SG 3.31Å; V274-C277 PolarHBondContact O-N 3.05Å; K275-C277 VanDerWaalsContact C-N 3.33Å; K275-C277 PolarHBondContact O-N 2.87Å; C277-I280 WeakPolarHBondContact O-CG1 3.3Å; C277-I280 PolarHBondContact O-N 3Å; C277-G281 PolarHBondContact O-N 2.63Å; C277-I282 HydrophobicContact CB-CB 4.12Å; C277-I282 HydrophobicContact CB-CD1 4.14Å; C277-I282 HydrophobicContact CB-CG2 4.47Å; C277-I282 WeakPolarHBondContact O-CB 3.45Å; C277-I282 PolarHBondContact O-N 2.86Å; C277-I286 HydrophobicContact CB-CD1 3.64Å
278	T	96.3	Very high	97.2	Very high	89 Å²	89	44.2 Å²	44.2	55%	0.546	26%	0.26	S	S	.	.	H	α-helix	trans	-65.7	-42.2	179.2	-53.7	0	0	0	0	111.2	V274 K275 A276 I280 G281	V274-T278 PolarHBondContact O-N 2.91Å; V274-T278 PolarHBondContact O-OG1 3.34Å; K275-T278 WeakPolarHBondContact O-CB 3.34Å; K275-T278 PolarHBondContact O-N 3.26Å; K275-T278 VanDerWaalsContact O-N 3.15Å; A276-T278 VanDerWaalsContact C-N 3.35Å; A276-T278 PolarHBondContact O-N 3.37Å; T278-I280 VanDerWaalsContact C-N 3.27Å; T278-I280 PolarHBondContact O-N 3.01Å; T278-G281 PolarHBondContact O-N 3.24Å
279	E	97.4	Very high	97.2	Very high	139 Å²	139	39 Å²	39	65%	0.65	23%	0.232	S	C	*	.	H	α-helix	trans	-61.7	-32.2	179.2	-75.2	174.4	178.4	0	0	113	K275 A276 G281	K275-E279 WeakPolarHBondContact CE-OE1 3.21Å; K275-E279 WeakPolarHBondContact O-CG 3.22Å; K275-E279 PolarHBondContact O-N 3.5Å; A276-E279 PolarHBondContact O-N 3.29Å; E279-G281 VanDerWaalsContact C-N 3.33Å
280	I	97.1	Very high	97.3	Very high	55 Å²	55	38 Å²	38	28%	0.282	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0.6	174.7	69.1	174.8	0	0	0	113.3	L245 K249 A276 C277 T278 I282	L245-I280 HydrophobicContact CB-CD1 3.96Å; L245-I280 HydrophobicContact CD2-CD1 4.44Å; L245-I280 WeakPolarHBondContact O-CD1 3.45Å; K249-I280 HydrophobicContact CB-CD1 4.06Å; K249-I280 HydrophobicContact CD-CB 4.46Å; K249-I280 HydrophobicContact CD-CD1 4.48Å; K249-I280 HydrophobicContact CD-CG1 4.44Å; K249-I280 WeakPolarHBondContact CD-O 3.32Å; K249-I280 WeakPolarHBondContact CE-O 3.42Å; K249-I280 PolarHBondContact NZ-O 3.19Å; A276-I280 PolarHBondContact O-N 2.97Å; C277-I280 WeakPolarHBondContact O-CG1 3.3Å; C277-I280 PolarHBondContact O-N 3Å; T278-I280 VanDerWaalsContact C-N 3.27Å; T278-I280 PolarHBondContact O-N 3.01Å; I280-I282 HydrophobicContact CD1-CD1 3.89Å; I280-I282 HydrophobicContact CD1-CG1 4.29Å; I280-I282 HydrophobicContact CG1-CD1 4.25Å; I280-I282 HydrophobicContact CG1-CG1 4.17Å
281	G	96.4	Very high	97.2	Very high	51 Å²	51	38.9 Å²	38.9	53%	0.526	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	19.2	174.3	0	0	0	0	0	115.8	C277 T278 E279	C277-G281 PolarHBondContact O-N 2.63Å; T278-G281 PolarHBondContact O-N 3.24Å; E279-G281 VanDerWaalsContact C-N 3.33Å
282	I	97.6	Very high	97	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.051	22%	0.219	C	C	.	.			trans	-74.6	123.6	166.5	-64.1	173.7	0	0	0	108	L248 K249 V252 I259 C277 I280	L248-I282 HydrophobicContact CD2-CD1 4.1Å; L248-I282 HydrophobicContact CG-CD1 3.94Å; K249-I282 HydrophobicContact CB-CD1 4.18Å; K249-I282 HydrophobicContact CB-CG1 4.17Å; K249-I282 HydrophobicContact CG-CG1 4.32Å; V252-I282 HydrophobicContact CG2-CG2 4.32Å; I259-I282 HydrophobicContact CD1-CG2 3.91Å; C277-I282 HydrophobicContact CB-CB 4.12Å; C277-I282 HydrophobicContact CB-CD1 4.14Å; C277-I282 HydrophobicContact CB-CG2 4.47Å; C277-I282 WeakPolarHBondContact O-CB 3.45Å; C277-I282 PolarHBondContact O-N 2.86Å; I280-I282 HydrophobicContact CD1-CD1 3.89Å; I280-I282 HydrophobicContact CD1-CG1 4.29Å; I280-I282 HydrophobicContact CG1-CD1 4.25Å; I280-I282 HydrophobicContact CG1-CG1 4.17Å
283	S	93.7	Very high	96.7	Very high	118 Å²	118	34.2 Å²	34.2	83%	0.825	20%	0.201	S	C	*	.			trans	-119.9	-4.5	-175.8	53.9	0	0	0	0	114.1
284	C	96.3	Very high	96.2	Very high	23 Å²	23	34.2 Å²	34.2	16%	0.155	20%	0.201	C	C	.	.	S	Bend	trans	-73.5	157.9	175.6	63.6	0	0	0	0	111.6	D257	D257-C284 WeakPolarHBondContact O-CB 3.15Å
285	P	96.8	Very high	95.8	Very high	29 Å²	29	33.6 Å²	33.6	19%	0.188	20%	0.198	C	C	.	.			trans	-60.3	140.2	177.6	-22.5	34.1	0	0	0	112.4	M87 D257 F258 I259 P350	M87-P285 HydrophobicContact CE-CB 4.47Å; M87-P285 HydrophobicContact CE-CG 4.19Å; M87-P285 HydrophobicContact SD-CB 4.11Å; M87-P285 HydrophobicContact SD-CG 3.74Å; D257-P285 WeakPolarHBondContact O-CD 3.48Å; F258-P285 WeakPolarHBondContact CA-O 3.29Å; F258-P285 HydrophobicContact CB-CB 4.2Å; F258-P285 HydrophobicContact CB-CG 4.44Å; F258-P285 WeakPolarHBondContact CB-O 3.49Å; I259-P285 PolarHBondContact N-O 3.22Å; P285-P350 HydrophobicContact CB-CG 4.47Å
286	I	98.1	Very high	95.4	Very high	15 Å²	15	30.2 Å²	30.2	8%	0.077	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120	176.5	-54	178.1	0	0	0	108.5	I259 T261 F270 F273 V274 C277	I259-I286 HydrophobicContact CB-CG1 4.33Å; I259-I286 HydrophobicContact CB-CG2 4.39Å; I259-I286 HydrophobicContact CD1-CD1 4.41Å; I259-I286 HydrophobicContact CD1-CG1 4.06Å; I259-I286 HydrophobicContact CG2-CG2 4.27Å; T261-I286 HydrophobicContact CG2-CG2 3.62Å; F270-I286 HydrophobicContact CE2-CG2 3.92Å; F270-I286 HydrophobicContact CZ-CG2 4.12Å; F273-I286 HydrophobicContact CD1-CG2 4.38Å; F273-I286 HydrophobicContact CE1-CD1 4.5Å; F273-I286 HydrophobicContact CE1-CG2 3.94Å; V274-I286 HydrophobicContact CG2-CB 4.42Å; V274-I286 HydrophobicContact CG2-CD1 4.36Å; V274-I286 HydrophobicContact CG2-CG2 4.35Å; C277-I286 HydrophobicContact CB-CD1 3.64Å
287	L	98.1	Very high	94.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.6	-175.8	-51.7	179	0	0	0	110.6	M83 W93 F124 F258 I259 I260 T261 G289 P350 H353	M83-L287 HydrophobicContact CE-CD1 4.23Å; W93-L287 HydrophobicContact CH2-CD1 3.4Å; W93-L287 VanDerWaalsContact CH2-CD1 3.4Å; W93-L287 HydrophobicContact CH2-CD2 3.18Å; W93-L287 HydrophobicContact CH2-CG 3.9Å; W93-L287 HydrophobicContact CZ2-CD2 3.64Å; W93-L287 HydrophobicContact CZ3-CD1 3.88Å; W93-L287 HydrophobicContact CZ3-CD2 4.02Å; F124-L287 HydrophobicContact CE1-CD1 4.15Å; F124-L287 HydrophobicContact CZ-CD1 3.92Å; F258-L287 HydrophobicContact CD2-CD1 3.73Å; F258-L287 HydrophobicContact CD2-CG 4.34Å; F258-L287 HydrophobicContact CE2-CD1 3.81Å; I259-L287 PolarHBondContact O-N 3.36Å; I260-L287 HydrophobicContact CG1-CB 4.38Å; I260-L287 HydrophobicContact CG1-CD1 4.05Å; T261-L287 PolarHBondContact N-O 3.19Å; T261-L287 PolarHBondContact OG1-O 3.14Å; L287-G289 PolarHBondContact O-N 2.86Å; L287-P350 HydrophobicContact CD2-CG 3.79Å; L287-H353 HydrophobicContact CB-CB 4.46Å
288	P	98.3	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-69.6	124	174.8	28	-33.4	0	0	0	111.2	T261 F264 F270 I290 L343 V349 G351 L352 H353	T261-P288 WeakPolarHBondContact OG1-CA 3.48Å; F264-P288 HydrophobicContact CE1-CB 3.68Å; F264-P288 HydrophobicContact CZ-CB 3.51Å; F270-P288 HydrophobicContact CD1-CB 4.5Å; F270-P288 HydrophobicContact CD2-CB 3.76Å; F270-P288 HydrophobicContact CE1-CB 4.37Å; F270-P288 HydrophobicContact CE2-CB 3.58Å; F270-P288 HydrophobicContact CE2-CG 4.27Å; F270-P288 HydrophobicContact CG-CB 4.22Å; F270-P288 HydrophobicContact CZ-CB 3.92Å; F270-P288 HydrophobicContact CZ-CG 4.14Å; P288-I290 HydrophobicContact CB-CD1 4.16Å; P288-L343 HydrophobicContact CB-CD1 4.06Å; P288-L343 HydrophobicContact CG-CD1 4.24Å; P288-V349 HydrophobicContact CG-CG1 3.65Å; P288-V349 HydrophobicContact CG-CG2 4.32Å; P288-G351 VanDerWaalsContact CD-O 3.28Å; P288-G351 WeakPolarHBondContact CD-O 3.29Å; P288-L352 HydrophobicContact CG-CD2 3.83Å; P288-H353 PolarHBondContact O-N 2.73Å
289	G	97.8	Very high	93.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	119.5	168	0	0	0	0	0	111.7	T261 L263 L287 H353	T261-G289 WeakPolarHBondContact O-CA 3.32Å; T261-G289 PolarHBondContact O-N 2.88Å; T261-G289 PolarHBondContact OG1-N 2.87Å; L263-G289 WeakPolarHBondContact CA-O 3.31Å; L287-G289 PolarHBondContact O-N 2.86Å; G289-H353 CarbonylContact C-O 3.51Å; G289-H353 WeakPolarHBondContact CA-O 3.3Å
290	I	97.6	Very high	92.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.5	-176.5	-52.1	-58.8	0	0	0	109.4	F264 P288 P292 A336 L339 L343 L352 H353 F354 Y355	F264-I290 HydrophobicContact CZ-CD1 4.08Å; P288-I290 HydrophobicContact CB-CD1 4.16Å; I290-P292 WeakPolarHBondContact O-CD 3.45Å; I290-A336 HydrophobicContact CG2-CB 4.44Å; I290-L339 HydrophobicContact CD1-CD2 4.09Å; I290-L343 HydrophobicContact CD1-CD1 3.67Å; I290-L352 HydrophobicContact CG1-CD2 4.38Å; I290-H353 PolarHBondContact N-O 3.03Å; I290-F354 HydrophobicContact CB-CD1 4.07Å; I290-F354 HydrophobicContact CB-CE1 4.13Å; I290-F354 HydrophobicContact CG2-CD1 4.05Å; I290-F354 HydrophobicContact CG2-CE1 3.82Å; I290-F354 WeakPolarHBondContact O-CA 3.37Å; I290-Y355 WeakPolarHBondContact O-CD2 3.38Å; I290-Y355 PolarHBondContact O-N 2.93Å
291	F	94.8	Very high	91.7	Very high	17 Å²	17	36.2 Å²	36.2	8%	0.075	20%	0.201	C	C	.	.			trans	-113.7	101.2	175.5	174.9	-114.3	0	0	0	110.6	L263 I293 L302 Y355 L357	L263-F291 HydrophobicContact CB-CB 4.26Å; F291-I293 HydrophobicContact CD1-CG1 4.39Å; F291-I293 HydrophobicContact CE1-CG1 4.25Å; F291-I293 PolarHBondContact O-N 3.37Å; F291-L302 HydrophobicContact CD1-CD1 3.93Å; F291-L302 HydrophobicContact CD1-CD2 3.34Å; F291-L302 HydrophobicContact CD1-CG 4.17Å; F291-L302 HydrophobicContact CD2-CD1 3.78Å; F291-L302 HydrophobicContact CE1-CB 4.32Å; F291-L302 HydrophobicContact CE1-CD1 4Å; F291-L302 HydrophobicContact CE1-CD2 3.6Å; F291-L302 HydrophobicContact CE1-CG 4.18Å; F291-L302 HydrophobicContact CE2-CD1 3.89Å; F291-L302 HydrophobicContact CG-CD1 3.79Å; F291-L302 HydrophobicContact CG-CD2 3.94Å; F291-L302 HydrophobicContact CG-CG 4.48Å; F291-L302 HydrophobicContact CZ-CD1 3.98Å; F291-L302 HydrophobicContact CZ-CD2 4.4Å; F291-Y355 HydrophobicContact CB-CD2 4.16Å; F291-L357 HydrophobicContact CE2-CD1 3.45Å; F291-L357 VanDerWaalsContact CE2-CD1 3.45Å; F291-L357 HydrophobicContact CE2-CG 3.84Å; F291-L357 HydrophobicContact CZ-CD1 3.91Å
292	P	93.5	Very high	90.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.			trans	-66.6	124.2	170.6	-18.1	31.9	0	0	0	109.8	I290 Q294 A336 F354 A362	I290-P292 WeakPolarHBondContact O-CD 3.45Å; P292-Q294 VanDerWaalsContact O-CG 3.26Å; P292-Q294 WeakPolarHBondContact O-CG 3.26Å; P292-Q294 PolarHBondContact O-N 3.09Å; P292-A336 HydrophobicContact CB-CB 4.47Å; P292-F354 HydrophobicContact CG-CD1 3.84Å; P292-F354 HydrophobicContact CG-CE1 4.29Å; P292-A362 HydrophobicContact CB-CB 4.14Å
293	I	92.1	Very high	89.8	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.015	19%	0.191	C	C	.	.			trans	-72.7	123.8	178	-56	175	0	0	0	108.8	F291 L299 I314 I318 I328 L335	F291-I293 HydrophobicContact CD1-CG1 4.39Å; F291-I293 HydrophobicContact CE1-CG1 4.25Å; F291-I293 PolarHBondContact O-N 3.37Å; I293-L299 HydrophobicContact CD1-CD1 4.09Å; I293-L299 HydrophobicContact CD1-CD2 4.48Å; I293-L299 HydrophobicContact CG1-CD1 4.31Å; I293-L299 HydrophobicContact CG2-CB 4.34Å; I293-I314 HydrophobicContact CD1-CG2 4.09Å; I293-I318 HydrophobicContact CD1-CD1 3.93Å; I293-I318 HydrophobicContact CG2-CD1 4.21Å; I293-I328 HydrophobicContact CG2-CG2 3.69Å; I293-L335 HydrophobicContact CD1-CD2 4Å
294	Q	88.5	Confident	89	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.009	19%	0.189	C	C	.	.			trans	-121.8	4.1	-174.7	-45.2	-174.1	39.9	0	0	114.5	P292 T356 R359 A362	P292-Q294 VanDerWaalsContact O-CG 3.26Å; P292-Q294 WeakPolarHBondContact O-CG 3.26Å; P292-Q294 PolarHBondContact O-N 3.09Å; Q294-T356 PolarHBondContact NE2-O 3.08Å; Q294-R359 VanDerWaalsContact CB-NH1 3.34Å; Q294-R359 PolarHBondContact O-NH1 2.99Å; Q294-A362 HydrophobicContact CG-CB 3.76Å
295	G	89.4	Confident	87.7	Confident	3 Å²	3	45 Å²	45	3%	0.031	22%	0.217	C	C	.	.			trans	165.4	159.7	-178.1	0	0	0	0	0	112.2	L299 D325	G295-L299 PolarHBondContact O-N 3.08Å; G295-D325 VanDerWaalsContact CA-OD1 3.28Å; G295-D325 WeakPolarHBondContact CA-OD1 3.36Å
296	Y	87.3	Confident	86.6	Confident	64 Å²	64	44.2 Å²	44.2	25%	0.251	21%	0.213	S	C	.	.	H	α-helix	trans	-66.1	-46.2	-174.1	-173.5	-103.1	0	0	0	112.6	S298 L299 R300 I318 E319 K322	Y296-S298 VanDerWaalsContact C-N 3.32Å; Y296-S298 PolarHBondContact O-N 2.63Å; Y296-L299 PolarHBondContact O-N 3.39Å; Y296-R300 PolarHBondContact O-N 3.47Å; Y296-I318 HydrophobicContact CD2-CG2 3.64Å; Y296-I318 HydrophobicContact CE2-CG2 4.11Å; Y296-E319 WeakPolarHBondContact CE2-OE1 3.42Å; Y296-E319 PolarHBondContact OH-OE1 3.21Å; Y296-K322 WeakPolarHBondContact CB-O 3.47Å; Y296-K322 HydrophobicContact CD2-CB 3.74Å; Y296-K322 HydrophobicContact CE2-CB 3.98Å; Y296-K322 HydrophobicContact CG-CB 4.02Å
297	T	84.6	Confident	85.7	Confident	91 Å²	91	50.1 Å²	50.1	56%	0.558	24%	0.238	S	C	*	.	H	α-helix	trans	-60.3	-42.3	179.7	-58.3	0	0	0	0	112.1	L299 R300 Q301	T297-L299 PolarHBondContact O-N 2.93Å; T297-R300 PolarHBondContact O-N 3.4Å; T297-Q301 HydrophobicContact CG2-CG 4.38Å; T297-Q301 WeakPolarHBondContact O-CG 3.27Å; T297-Q301 PolarHBondContact O-N 2.96Å
298	S	78.9	Confident	84.9	Confident	25 Å²	25	51.4 Å²	51.4	18%	0.175	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-43	179.1	-57.6	0	0	0	0	111.5	Y296 Q301 L302	Y296-S298 VanDerWaalsContact C-N 3.32Å; Y296-S298 PolarHBondContact O-N 2.63Å; S298-Q301 PolarHBondContact O-N 2.79Å; S298-L302 VanDerWaalsContact O-CB 3.28Å; S298-L302 WeakPolarHBondContact O-CB 3.48Å; S298-L302 PolarHBondContact O-N 2.84Å
299	L	84	Confident	84.2	Confident	11 Å²	11	59.2 Å²	59.2	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-47.4	175.4	-179.5	63.1	0	0	0	111.3	F265 I293 G295 Y296 T297 Q301 L302 V303 V310 I318	F265-L299 HydrophobicContact CE1-CD1 4.44Å; F265-L299 HydrophobicContact CZ-CD1 4.3Å; I293-L299 HydrophobicContact CD1-CD1 4.09Å; I293-L299 HydrophobicContact CD1-CD2 4.48Å; I293-L299 HydrophobicContact CG1-CD1 4.31Å; I293-L299 HydrophobicContact CG2-CB 4.34Å; G295-L299 PolarHBondContact O-N 3.08Å; Y296-L299 PolarHBondContact O-N 3.39Å; T297-L299 PolarHBondContact O-N 2.93Å; L299-Q301 PolarHBondContact O-N 3.41Å; L299-L302 PolarHBondContact O-N 3.38Å; L299-V303 HydrophobicContact CD1-CG2 4.38Å; L299-V303 WeakPolarHBondContact O-CB 3.33Å; L299-V303 WeakPolarHBondContact O-CG2 3.45Å; L299-V303 PolarHBondContact O-N 3.42Å; L299-V310 HydrophobicContact CD1-CG2 4Å; L299-V310 HydrophobicContact CG-CG2 4.33Å; L299-I318 HydrophobicContact CD2-CD1 3.54Å; L299-I318 HydrophobicContact CD2-CG2 4.41Å
300	R	84	Confident	83.7	Confident	183 Å²	183	59.7 Å²	59.7	69%	0.691	28%	0.284	S	S	*	.	H	α-helix	trans	-63.1	-41.2	180	-174.3	179	172.5	-175.6	-0.9	112.7	Y296 T297 K304	Y296-R300 PolarHBondContact O-N 3.47Å; T297-R300 PolarHBondContact O-N 3.4Å; R300-K304 PolarHBondContact O-N 3.24Å; R300-K304 VanDerWaalsContact O-N 3.15Å
301	Q	77.4	Confident	83.4	Confident	115 Å²	115	60.7 Å²	60.7	54%	0.537	29%	0.291	S	S	.	.	H	α-helix	trans	-63.7	-45.7	176.9	-76.1	175.2	-16	0	0	111.4	T297 S298 L299 V303 K304 L305	T297-Q301 HydrophobicContact CG2-CG 4.38Å; T297-Q301 WeakPolarHBondContact O-CG 3.27Å; T297-Q301 PolarHBondContact O-N 2.96Å; S298-Q301 PolarHBondContact O-N 2.79Å; L299-Q301 PolarHBondContact O-N 3.41Å; Q301-V303 PolarHBondContact O-N 2.96Å; Q301-K304 WeakPolarHBondContact O-CB 3.18Å; Q301-K304 PolarHBondContact O-N 2.95Å; Q301-L305 WeakPolarHBondContact O-CG 3.32Å; Q301-L305 PolarHBondContact O-N 3.33Å
302	L	76.3	Confident	83.2	Confident	22 Å²	22	65.3 Å²	65.3	12%	0.115	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-42.3	180	-173.3	110	0	0	0	112.1	L263 F291 S298 L299 K304 L305 S306	L263-L302 HydrophobicContact CD1-CD2 3.72Å; L263-L302 HydrophobicContact CD2-CD1 3.61Å; L263-L302 HydrophobicContact CD2-CD2 3.36Å; L263-L302 HydrophobicContact CD2-CG 3.52Å; L263-L302 HydrophobicContact CG-CD2 4.19Å; F291-L302 HydrophobicContact CD1-CD1 3.93Å; F291-L302 HydrophobicContact CD1-CD2 3.34Å; F291-L302 HydrophobicContact CD1-CG 4.17Å; F291-L302 HydrophobicContact CD2-CD1 3.78Å; F291-L302 HydrophobicContact CE1-CB 4.32Å; F291-L302 HydrophobicContact CE1-CD1 4Å; F291-L302 HydrophobicContact CE1-CD2 3.6Å; F291-L302 HydrophobicContact CE1-CG 4.18Å; F291-L302 HydrophobicContact CE2-CD1 3.89Å; F291-L302 HydrophobicContact CG-CD1 3.79Å; F291-L302 HydrophobicContact CG-CD2 3.94Å; F291-L302 HydrophobicContact CG-CG 4.48Å; F291-L302 HydrophobicContact CZ-CD1 3.98Å; F291-L302 HydrophobicContact CZ-CD2 4.4Å; S298-L302 VanDerWaalsContact O-CB 3.28Å; S298-L302 WeakPolarHBondContact O-CB 3.48Å; S298-L302 PolarHBondContact O-N 2.84Å; L299-L302 PolarHBondContact O-N 3.38Å; L302-K304 VanDerWaalsContact C-N 3.31Å; L302-K304 PolarHBondContact O-N 3.48Å; L302-L305 PolarHBondContact O-N 3.44Å; L302-S306 VanDerWaalsContact O-CB 3.31Å; L302-S306 WeakPolarHBondContact O-CB 3.23Å; L302-S306 PolarHBondContact O-N 3.02Å; L302-S306 PolarHBondContact O-OG 2.94Å
303	V	78.4	Confident	83.2	Confident	42 Å²	42	70.1 Å²	70.1	26%	0.255	34%	0.338	S	S	.	.	H	α-helix	trans	-59.3	-43.1	174.2	165	0	0	0	0	111.5	L299 Q301 L305 K307 L308 V310	L299-V303 HydrophobicContact CD1-CG2 4.38Å; L299-V303 WeakPolarHBondContact O-CB 3.33Å; L299-V303 WeakPolarHBondContact O-CG2 3.45Å; L299-V303 PolarHBondContact O-N 3.42Å; Q301-V303 PolarHBondContact O-N 2.96Å; V303-L305 VanDerWaalsContact C-N 3.35Å; V303-L305 PolarHBondContact O-N 3.46Å; V303-K307 WeakPolarHBondContact O-CA 3.35Å; V303-K307 PolarHBondContact O-N 2.82Å; V303-L308 WeakPolarHBondContact CG1-O 3.4Å; V303-V310 HydrophobicContact CB-CG2 4.47Å; V303-V310 HydrophobicContact CG2-CG2 3.12Å
304	K	76.5	Confident	83.2	Confident	176 Å²	176	70 Å²	70	77%	0.765	34%	0.338	S	S	*	.	H	α-helix	trans	-63.7	-40.8	177.6	-172	-177.6	177.2	-173.3	0	111.9	R300 Q301 L302	R300-K304 PolarHBondContact O-N 3.24Å; R300-K304 VanDerWaalsContact O-N 3.15Å; Q301-K304 WeakPolarHBondContact O-CB 3.18Å; Q301-K304 PolarHBondContact O-N 2.95Å; L302-K304 VanDerWaalsContact C-N 3.31Å; L302-K304 PolarHBondContact O-N 3.48Å
305	L	70.3	Confident	83.3	Confident	145 Å²	145	73.6 Å²	73.6	76%	0.759	35%	0.353	S	S	*	.	H	α-helix	trans	-76.1	-42.6	-178.3	-70.1	170	0	0	0	112.6	Q301 L302 V303 K307	Q301-L305 WeakPolarHBondContact O-CG 3.32Å; Q301-L305 PolarHBondContact O-N 3.33Å; L302-L305 PolarHBondContact O-N 3.44Å; V303-L305 VanDerWaalsContact C-N 3.35Å; V303-L305 PolarHBondContact O-N 3.46Å; L305-K307 VanDerWaalsContact C-N 3.33Å
306	S	73.6	Confident	83.5	Confident	13 Å²	13	78.1 Å²	78.1	9%	0.091	38%	0.376	C	S	.	.	H	α-helix	trans	-80.1	-13.9	-177.9	59.7	0	0	0	0	113.8	L302 L308	L302-S306 VanDerWaalsContact O-CB 3.31Å; L302-S306 WeakPolarHBondContact O-CB 3.23Å; L302-S306 PolarHBondContact O-N 3.02Å; L302-S306 PolarHBondContact O-OG 2.94Å; S306-L308 PolarHBondContact O-N 2.86Å; S306-L308 VanDerWaalsContact O-N 3.11Å; S306-L308 PolarHBondContact OG-N 3.05Å
307	K	78.3	Confident	83.8	Confident	140 Å²	140	78 Å²	78	61%	0.609	38%	0.382	S	S	*	.			trans	53.4	23.5	-170.6	-57.9	179	-178.9	173.5	0	112.9	P236 V303 L305	P236-K307 HydrophobicContact CB-CB 4.4Å; P236-K307 HydrophobicContact CB-CD 3.63Å; P236-K307 HydrophobicContact CG-CB 4.03Å; P236-K307 HydrophobicContact CG-CD 3.89Å; P236-K307 HydrophobicContact CG-CG 4.44Å; V303-K307 WeakPolarHBondContact O-CA 3.35Å; V303-K307 PolarHBondContact O-N 2.82Å; L305-K307 VanDerWaalsContact C-N 3.33Å
308	L	81.4	Confident	84.2	Confident	27 Å²	27	73.8 Å²	73.8	14%	0.141	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-91.7	140.1	178.1	-68.7	171.1	0	0	0	111	K233 Q262 L263 V303 S306	K233-L308 HydrophobicContact CB-CD2 4.44Å; K233-L308 HydrophobicContact CD-CD2 4.14Å; Q262-L308 HydrophobicContact CG-CD1 4.32Å; L263-L308 HydrophobicContact CD1-CD1 3.49Å; L263-L308 VanDerWaalsContact CD1-CD1 3.49Å; L263-L308 HydrophobicContact CG-CD1 3.76Å; L263-L308 WeakPolarHBondContact O-CD1 3Å; V303-L308 WeakPolarHBondContact CG1-O 3.4Å; S306-L308 PolarHBondContact O-N 2.86Å; S306-L308 VanDerWaalsContact O-N 3.11Å; S306-L308 PolarHBondContact OG-N 3.05Å
309	E	84	Confident	84.8	Confident	164 Å²	164	76.4 Å²	76.4	77%	0.766	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-82	128.9	171.3	-63.9	-170.8	166.9	0	0	111.1	P311	E309-P311 WeakPolarHBondContact O-CD 3.33Å
310	V	87.5	Confident	85.3	Confident	10 Å²	10	80.9 Å²	80.9	6%	0.061	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-72.3	128.4	170.7	-172.6	0	0	0	0	109	F265 L299 V303 I314 K315	F265-V310 HydrophobicContact CE2-CG2 4.28Å; F265-V310 HydrophobicContact CZ-CG1 4.43Å; F265-V310 HydrophobicContact CZ-CG2 4.09Å; L299-V310 HydrophobicContact CD1-CG2 4Å; L299-V310 HydrophobicContact CG-CG2 4.33Å; V303-V310 HydrophobicContact CB-CG2 4.47Å; V303-V310 HydrophobicContact CG2-CG2 3.12Å; V310-I314 HydrophobicContact CG1-CB 3.78Å; V310-I314 HydrophobicContact CG1-CD1 4.48Å; V310-I314 HydrophobicContact CG1-CG2 3.53Å; V310-K315 HydrophobicContact CB-CG 4.18Å; V310-K315 HydrophobicContact CG1-CG 4.12Å; V310-K315 WeakPolarHBondContact O-CE 3.25Å; V310-K315 PolarHBondContact O-NZ 3.15Å
311	P	91	Very high	85.8	Confident	22 Å²	22	74.4 Å²	74.4	14%	0.143	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-50.3	141.9	173	-31.5	37.3	0	0	0	113.5	F265 E309 N313 I314 K315	F265-P311 HydrophobicContact CB-CG 3.66Å; F265-P311 VanDerWaalsContact CD2-CD 3.42Å; F265-P311 HydrophobicContact CD2-CG 4.18Å; F265-P311 HydrophobicContact CG-CG 4.08Å; E309-P311 WeakPolarHBondContact O-CD 3.33Å; P311-N313 VanDerWaalsContact C-N 3.31Å; P311-N313 WeakPolarHBondContact CB-OD1 3.44Å; P311-N313 PolarHBondContact O-N 3.03Å; P311-I314 HydrophobicContact CB-CD1 4.2Å; P311-I314 HydrophobicContact CB-CG1 4.43Å; P311-I314 HydrophobicContact CG-CD1 4.11Å; P311-I314 PolarHBondContact O-N 3.36Å; P311-I314 VanDerWaalsContact O-N 3.1Å; P311-K315 PolarHBondContact O-N 2.89Å
312	Q	91.1	Very high	86.5	Confident	114 Å²	114	73.1 Å²	73.1	53%	0.533	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-37.7	-174.6	-169.8	59.5	40	0	0	112.4	I314 K315 D316	Q312-I314 VanDerWaalsContact C-N 3.25Å; Q312-I314 PolarHBondContact O-N 3.12Å; Q312-K315 WeakPolarHBondContact O-CB 3.4Å; Q312-K315 PolarHBondContact O-N 3.45Å; Q312-K315 VanDerWaalsContact O-N 3.09Å; Q312-D316 PolarHBondContact NE2-OD1 3.04Å; Q312-D316 WeakPolarHBondContact O-CB 3.4Å; Q312-D316 PolarHBondContact O-N 2.93Å
313	N	92.1	Very high	87.2	Confident	100 Å²	100	79.2 Å²	79.2	54%	0.535	40%	0.4	S	S	.	.	H	α-helix	trans	-57.3	-35.7	174.6	62.7	-36.9	0	0	0	113.1	P311 V317	P311-N313 VanDerWaalsContact C-N 3.31Å; P311-N313 WeakPolarHBondContact CB-OD1 3.44Å; P311-N313 PolarHBondContact O-N 3.03Å; N313-V317 WeakPolarHBondContact O-CG2 3.33Å
314	I	92.6	Very high	87.9	Confident	2 Å²	2	81 Å²	81	1%	0.01	41%	0.408	C	S	.	.	H	α-helix	trans	-72.9	-43	175.7	-67.8	171.1	0	0	0	110	F265 I293 V310 P311 Q312 D316 V317 I318 Y331 L335	F265-I314 HydrophobicContact CB-CD1 4.08Å; F265-I314 HydrophobicContact CD1-CD1 3.72Å; F265-I314 HydrophobicContact CE1-CD1 4.47Å; F265-I314 HydrophobicContact CG-CD1 4.09Å; I293-I314 HydrophobicContact CD1-CG2 4.09Å; V310-I314 HydrophobicContact CG1-CB 3.78Å; V310-I314 HydrophobicContact CG1-CD1 4.48Å; V310-I314 HydrophobicContact CG1-CG2 3.53Å; P311-I314 HydrophobicContact CB-CD1 4.2Å; P311-I314 HydrophobicContact CB-CG1 4.43Å; P311-I314 HydrophobicContact CG-CD1 4.11Å; P311-I314 PolarHBondContact O-N 3.36Å; P311-I314 VanDerWaalsContact O-N 3.1Å; Q312-I314 VanDerWaalsContact C-N 3.25Å; Q312-I314 PolarHBondContact O-N 3.12Å; I314-D316 PolarHBondContact O-N 3.17Å; I314-V317 PolarHBondContact O-N 3.18Å; I314-I318 HydrophobicContact CG2-CD1 3.56Å; I314-I318 HydrophobicContact CG2-CG1 4.33Å; I314-I318 WeakPolarHBondContact O-CB 3.35Å; I314-I318 WeakPolarHBondContact O-CG1 3.19Å; I314-I318 PolarHBondContact O-N 3.22Å; I314-Y331 HydrophobicContact CG2-CE1 4.3Å; I314-L335 HydrophobicContact CD1-CD1 4.46Å; I314-L335 HydrophobicContact CD1-CD2 3.65Å; I314-L335 HydrophobicContact CG1-CD2 4.05Å
315	K	90.6	Very high	88.5	Confident	77 Å²	77	76.5 Å²	76.5	34%	0.335	39%	0.392	S	S	.	.	H	α-helix	trans	-60.8	-44.2	177	-68.2	176.9	179.7	163.5	0	111.9	V310 P311 Q312 V317 I318 E319	V310-K315 HydrophobicContact CB-CG 4.18Å; V310-K315 HydrophobicContact CG1-CG 4.12Å; V310-K315 WeakPolarHBondContact O-CE 3.25Å; V310-K315 PolarHBondContact O-NZ 3.15Å; P311-K315 PolarHBondContact O-N 2.89Å; Q312-K315 WeakPolarHBondContact O-CB 3.4Å; Q312-K315 PolarHBondContact O-N 3.45Å; Q312-K315 VanDerWaalsContact O-N 3.09Å; K315-V317 PolarHBondContact O-N 3.22Å; K315-I318 PolarHBondContact O-N 3.32Å; K315-E319 WeakPolarHBondContact O-CB 3.29Å; K315-E319 WeakPolarHBondContact O-CG 3.26Å; K315-E319 PolarHBondContact O-N 3.01Å
316	D	93.7	Very high	89.5	Confident	97 Å²	97	71.7 Å²	71.7	52%	0.519	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-30.7	-178.2	-66.7	-21.5	0	0	0	112.3	Q312 I314 P320	Q312-D316 PolarHBondContact NE2-OD1 3.04Å; Q312-D316 WeakPolarHBondContact O-CB 3.4Å; Q312-D316 PolarHBondContact O-N 2.93Å; I314-D316 PolarHBondContact O-N 3.17Å; D316-P320 WeakPolarHBondContact O-CD 3.44Å; D316-P320 WeakPolarHBondContact O-CG 3.16Å
317	V	93.7	Very high	90.5	Very high	62 Å²	62	72.5 Å²	72.5	38%	0.376	38%	0.381	S	S	.	.	H	α-helix	trans	-83	-39.4	175.5	178.4	0	0	0	0	111.9	N313 I314 K315 P320 I321 Y331	N313-V317 WeakPolarHBondContact O-CG2 3.33Å; I314-V317 PolarHBondContact O-N 3.18Å; K315-V317 PolarHBondContact O-N 3.22Å; V317-P320 WeakPolarHBondContact O-CD 3.28Å; V317-I321 WeakPolarHBondContact O-CG1 3.43Å; V317-Y331 HydrophobicContact CB-CE1 4.32Å; V317-Y331 HydrophobicContact CB-CE2 4.2Å; V317-Y331 HydrophobicContact CG1-CD1 4.23Å; V317-Y331 HydrophobicContact CG1-CD2 3.78Å; V317-Y331 HydrophobicContact CG1-CE1 4.15Å; V317-Y331 HydrophobicContact CG1-CE2 3.69Å; V317-Y331 HydrophobicContact CG1-CG 4.05Å; V317-Y331 HydrophobicContact CG2-CE2 4.35Å
318	I	92.2	Very high	91.2	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-77.8	-38.9	-174.2	-70.8	179.7	0	0	0	112.6	I293 Y296 L299 I314 K315 I321 K322 I328 Y331	I293-I318 HydrophobicContact CD1-CD1 3.93Å; I293-I318 HydrophobicContact CG2-CD1 4.21Å; Y296-I318 HydrophobicContact CD2-CG2 3.64Å; Y296-I318 HydrophobicContact CE2-CG2 4.11Å; L299-I318 HydrophobicContact CD2-CD1 3.54Å; L299-I318 HydrophobicContact CD2-CG2 4.41Å; I314-I318 HydrophobicContact CG2-CD1 3.56Å; I314-I318 HydrophobicContact CG2-CG1 4.33Å; I314-I318 WeakPolarHBondContact O-CB 3.35Å; I314-I318 WeakPolarHBondContact O-CG1 3.19Å; I314-I318 PolarHBondContact O-N 3.22Å; K315-I318 PolarHBondContact O-N 3.32Å; I318-I321 CarbonylContact O-C 3.38Å; I318-I321 VanDerWaalsContact O-CG1 3.3Å; I318-I321 WeakPolarHBondContact O-CG1 3.44Å; I318-I321 PolarHBondContact O-N 2.94Å; I318-K322 PolarHBondContact O-N 2.82Å; I318-I328 HydrophobicContact CG2-CD1 4.5Å; I318-Y331 HydrophobicContact CD1-CD1 4.27Å; I318-Y331 HydrophobicContact CD1-CE1 4.13Å; I318-Y331 HydrophobicContact CG1-CD1 3.96Å; I318-Y331 HydrophobicContact CG1-CE1 3.94Å
319	E	91.5	Very high	91.8	Very high	80 Å²	80	67.5 Å²	67.5	37%	0.374	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-57.6	-42.8	-176.8	-76.4	-65.4	152	0	0	113.6	Y296 K315 I321 K322	Y296-E319 WeakPolarHBondContact CE2-OE1 3.42Å; Y296-E319 PolarHBondContact OH-OE1 3.21Å; K315-E319 WeakPolarHBondContact O-CB 3.29Å; K315-E319 WeakPolarHBondContact O-CG 3.26Å; K315-E319 PolarHBondContact O-N 3.01Å; E319-I321 PolarHBondContact O-N 3.47Å; E319-K322 WeakPolarHBondContact O-CB 3.38Å; E319-K322 WeakPolarHBondContact O-CG 3.44Å; E319-K322 PolarHBondContact O-N 2.56Å
320	P	95.1	Very high	92.4	Very high	106 Å²	106	63.8 Å²	63.8	69%	0.688	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-63.5	-25.6	174.5	-24.5	34.8	0	0	0	114.8	D316 V317	D316-P320 WeakPolarHBondContact O-CD 3.44Å; D316-P320 WeakPolarHBondContact O-CG 3.16Å; V317-P320 WeakPolarHBondContact O-CD 3.28Å
321	I	94.2	Very high	92.7	Very high	47 Å²	47	65.4 Å²	65.4	24%	0.241	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-110.5	14.2	-176.6	64.2	174.3	0	0	0	112.7	V317 I318 E319 D323 N324 A327 I328	V317-I321 WeakPolarHBondContact O-CG1 3.43Å; I318-I321 CarbonylContact O-C 3.38Å; I318-I321 VanDerWaalsContact O-CG1 3.3Å; I318-I321 WeakPolarHBondContact O-CG1 3.44Å; I318-I321 PolarHBondContact O-N 2.94Å; E319-I321 PolarHBondContact O-N 3.47Å; I321-D323 PolarHBondContact O-N 2.94Å; I321-N324 PolarHBondContact O-N 3.02Å; I321-A327 HydrophobicContact CB-CB 4.38Å; I321-A327 HydrophobicContact CD1-CB 4.19Å; I321-I328 HydrophobicContact CD1-CB 4.48Å; I321-I328 HydrophobicContact CD1-CG1 3.8Å; I321-I328 HydrophobicContact CG1-CG1 3.74Å; I321-I328 WeakPolarHBondContact O-CD1 3.22Å
322	K	91.6	Very high	92.9	Very high	88 Å²	88	64.4 Å²	64.4	38%	0.383	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.1	-171.2	68.6	-175.6	-180	-175.3	0	115.1	Y296 I318 E319	Y296-K322 WeakPolarHBondContact CB-O 3.47Å; Y296-K322 HydrophobicContact CD2-CB 3.74Å; Y296-K322 HydrophobicContact CE2-CB 3.98Å; Y296-K322 HydrophobicContact CG-CB 4.02Å; I318-K322 PolarHBondContact O-N 2.82Å; E319-K322 WeakPolarHBondContact O-CB 3.38Å; E319-K322 WeakPolarHBondContact O-CG 3.44Å; E319-K322 PolarHBondContact O-N 2.56Å
323	D	92.4	Very high	93.2	Very high	149 Å²	149	59.5 Å²	59.5	80%	0.797	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	5.9	-179.7	-57.5	-51.5	0	0	0	112.6	I321	I321-D323 PolarHBondContact O-N 2.94Å
324	N	92.9	Very high	93.5	Very high	81 Å²	81	60.9 Å²	60.9	43%	0.433	32%	0.321	S	S	.	.			trans	-122.6	83.5	178.6	-173.4	-14.4	0	0	0	111.2	I321 A326 A327 I328	I321-N324 PolarHBondContact O-N 3.02Å; N324-A326 PolarHBondContact O-N 2.95Å; N324-A326 VanDerWaalsContact O-N 3.16Å; N324-A326 PolarHBondContact OD1-N 2.91Å; N324-A327 HydrophobicContact CB-CB 4.09Å; N324-A327 PolarHBondContact O-N 3.13Å; N324-A327 VanDerWaalsContact O-N 3.09Å; N324-A327 PolarHBondContact OD1-N 3.39Å; N324-A327 VanDerWaalsContact OD1-N 3.08Å; N324-I328 WeakPolarHBondContact O-CG1 3.47Å; N324-I328 PolarHBondContact O-N 3.25Å
325	D	88.9	Confident	93.7	Very high	80 Å²	80	62.8 Å²	62.8	43%	0.428	33%	0.331	S	S	.	.	H	α-helix	trans	-57.6	-29.9	-179.9	-80.2	-23.9	0	0	0	113.7	G295 R329	G295-D325 VanDerWaalsContact CA-OD1 3.28Å; G295-D325 WeakPolarHBondContact CA-OD1 3.36Å; D325-R329 VanDerWaalsContact O-CB 3.26Å; D325-R329 WeakPolarHBondContact O-CB 3.35Å; D325-R329 PolarHBondContact O-N 3.26Å
326	A	91.4	Very high	94	Very high	44 Å²	44	59.4 Å²	59.4	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-67.9	-44.4	177	0	0	0	0	0	111.4	N324 R329 N330	N324-A326 PolarHBondContact O-N 2.95Å; N324-A326 VanDerWaalsContact O-N 3.16Å; N324-A326 PolarHBondContact OD1-N 2.91Å; A326-R329 PolarHBondContact O-N 2.66Å; A326-N330 PolarHBondContact O-N 2.89Å; A326-N330 VanDerWaalsContact O-N 3.1Å; A326-N330 PolarHBondContact O-OD1 3.33Å
327	A	93.9	Very high	94.2	Very high	30 Å²	30	55 Å²	55	25%	0.248	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-43.1	175.1	0	0	0	0	0	111.7	I321 N324 R329 N330 Y331	I321-A327 HydrophobicContact CB-CB 4.38Å; I321-A327 HydrophobicContact CD1-CB 4.19Å; N324-A327 HydrophobicContact CB-CB 4.09Å; N324-A327 PolarHBondContact O-N 3.13Å; N324-A327 VanDerWaalsContact O-N 3.09Å; N324-A327 PolarHBondContact OD1-N 3.39Å; N324-A327 VanDerWaalsContact OD1-N 3.08Å; A327-R329 VanDerWaalsContact C-N 3.32Å; A327-R329 PolarHBondContact O-N 3.27Å; A327-N330 PolarHBondContact O-N 2.71Å; A327-Y331 PolarHBondContact O-N 2.83Å
328	I	93.6	Very high	94.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-43.9	176.4	-65.5	169.9	0	0	0	110.8	I293 I318 I321 N324 Y331 G332	I293-I328 HydrophobicContact CG2-CG2 3.69Å; I318-I328 HydrophobicContact CG2-CD1 4.5Å; I321-I328 HydrophobicContact CD1-CB 4.48Å; I321-I328 HydrophobicContact CD1-CG1 3.8Å; I321-I328 HydrophobicContact CG1-CG1 3.74Å; I321-I328 WeakPolarHBondContact O-CD1 3.22Å; N324-I328 WeakPolarHBondContact O-CG1 3.47Å; N324-I328 PolarHBondContact O-N 3.25Å; I328-Y331 PolarHBondContact O-N 2.88Å; I328-G332 PolarHBondContact O-N 2.94Å
329	R	94.1	Very high	94.7	Very high	63 Å²	63	55.6 Å²	55.6	24%	0.238	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-43.8	178.8	-177.9	179.6	63.4	-124.5	0.6	111.9	D325 A326 A327 G332 I333 A362	D325-R329 VanDerWaalsContact O-CB 3.26Å; D325-R329 WeakPolarHBondContact O-CB 3.35Å; D325-R329 PolarHBondContact O-N 3.26Å; A326-R329 PolarHBondContact O-N 2.66Å; A327-R329 VanDerWaalsContact C-N 3.32Å; A327-R329 PolarHBondContact O-N 3.27Å; R329-G332 PolarHBondContact O-N 3.5Å; R329-I333 HydrophobicContact CG-CD1 4.06Å; R329-I333 VanDerWaalsContact O-CG1 3.3Å; R329-I333 WeakPolarHBondContact O-CG1 3.31Å; R329-I333 PolarHBondContact O-N 3.23Å; R329-A362 HydrophobicContact CG-CB 4.16Å
330	N	95.3	Very high	95	Very high	85 Å²	85	51.8 Å²	51.8	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-62.2	-45.4	178.4	-68.2	-7.5	0	0	0	111.1	A326 A327 G332 I333 E334	A326-N330 PolarHBondContact O-N 2.89Å; A326-N330 VanDerWaalsContact O-N 3.1Å; A326-N330 PolarHBondContact O-OD1 3.33Å; A327-N330 PolarHBondContact O-N 2.71Å; N330-G332 VanDerWaalsContact C-N 3.34Å; N330-G332 PolarHBondContact O-N 3.1Å; N330-I333 PolarHBondContact O-N 3.22Å; N330-E334 PolarHBondContact O-N 3.34Å; N330-E334 VanDerWaalsContact O-N 3.09Å
331	Y	95.7	Very high	95.2	Very high	45 Å²	45	52.4 Å²	52.4	18%	0.176	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-42.3	173.3	174	-107.3	0	0	0	112.4	I314 V317 I318 A327 I328 I333 E334 L335	I314-Y331 HydrophobicContact CG2-CE1 4.3Å; V317-Y331 HydrophobicContact CB-CE1 4.32Å; V317-Y331 HydrophobicContact CB-CE2 4.2Å; V317-Y331 HydrophobicContact CG1-CD1 4.23Å; V317-Y331 HydrophobicContact CG1-CD2 3.78Å; V317-Y331 HydrophobicContact CG1-CE1 4.15Å; V317-Y331 HydrophobicContact CG1-CE2 3.69Å; V317-Y331 HydrophobicContact CG1-CG 4.05Å; V317-Y331 HydrophobicContact CG2-CE2 4.35Å; I318-Y331 HydrophobicContact CD1-CD1 4.27Å; I318-Y331 HydrophobicContact CD1-CE1 4.13Å; I318-Y331 HydrophobicContact CG1-CD1 3.96Å; I318-Y331 HydrophobicContact CG1-CE1 3.94Å; A327-Y331 PolarHBondContact O-N 2.83Å; I328-Y331 PolarHBondContact O-N 2.88Å; Y331-I333 VanDerWaalsContact C-N 3.31Å; Y331-I333 PolarHBondContact O-N 3.34Å; Y331-E334 PolarHBondContact O-N 3.43Å; Y331-L335 WeakPolarHBondContact O-CB 3.43Å; Y331-L335 PolarHBondContact O-N 3.03Å
332	G	95.1	Very high	95.4	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-34.2	177.1	0	0	0	0	0	113.7	I328 R329 N330 A336	I328-G332 PolarHBondContact O-N 2.94Å; R329-G332 PolarHBondContact O-N 3.5Å; N330-G332 VanDerWaalsContact C-N 3.34Å; N330-G332 PolarHBondContact O-N 3.1Å; G332-A336 VanDerWaalsContact O-CB 3.27Å; G332-A336 WeakPolarHBondContact O-CB 3.32Å; G332-A336 PolarHBondContact O-N 2.74Å
333	I	97.1	Very high	95.7	Very high	11 Å²	11	51 Å²	51	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-50.4	172.6	-70.1	161.7	0	0	0	110	R329 N330 Y331 L335 A336 V337 A362 E365 V366	R329-I333 HydrophobicContact CG-CD1 4.06Å; R329-I333 VanDerWaalsContact O-CG1 3.3Å; R329-I333 WeakPolarHBondContact O-CG1 3.31Å; R329-I333 PolarHBondContact O-N 3.23Å; N330-I333 PolarHBondContact O-N 3.22Å; Y331-I333 VanDerWaalsContact C-N 3.31Å; Y331-I333 PolarHBondContact O-N 3.34Å; I333-L335 VanDerWaalsContact C-N 3.35Å; I333-L335 PolarHBondContact O-N 3.09Å; I333-A336 PolarHBondContact O-N 2.89Å; I333-V337 HydrophobicContact CG2-CG2 4.34Å; I333-V337 WeakPolarHBondContact O-CB 3.44Å; I333-V337 VanDerWaalsContact O-CG2 3.31Å; I333-V337 WeakPolarHBondContact O-CG2 3.23Å; I333-V337 PolarHBondContact O-N 2.85Å; I333-A362 HydrophobicContact CD1-CB 4.4Å; I333-A362 HydrophobicContact CG1-CB 4.07Å; I333-E365 HydrophobicContact CD1-CB 4.1Å; I333-E365 HydrophobicContact CD1-CG 4.06Å; I333-E365 HydrophobicContact CG2-CB 4.45Å; I333-E365 HydrophobicContact CG2-CG 3.93Å; I333-V366 HydrophobicContact CB-CG2 4.28Å; I333-V366 HydrophobicContact CG1-CG2 4.3Å; I333-V366 HydrophobicContact CG2-CG2 3.98Å
334	E	97.3	Very high	95.9	Very high	129 Å²	129	45.2 Å²	45.2	60%	0.603	23%	0.233	S	C	*	.	H	α-helix	trans	-58.9	-45.4	179.4	-70.8	174.9	-173.2	0	0	112	N330 Y331 V337 S338	N330-E334 PolarHBondContact O-N 3.34Å; N330-E334 VanDerWaalsContact O-N 3.09Å; Y331-E334 PolarHBondContact O-N 3.43Å; E334-V337 PolarHBondContact O-N 2.95Å; E334-S338 PolarHBondContact O-N 2.98Å
335	L	96.6	Very high	96	Very high	42 Å²	42	48 Å²	48	22%	0.22	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-47.4	176.9	-178.5	67.1	0	0	0	111.6	I293 I314 Y331 I333 S338 L339	I293-L335 HydrophobicContact CD1-CD2 4Å; I314-L335 HydrophobicContact CD1-CD1 4.46Å; I314-L335 HydrophobicContact CD1-CD2 3.65Å; I314-L335 HydrophobicContact CG1-CD2 4.05Å; Y331-L335 WeakPolarHBondContact O-CB 3.43Å; Y331-L335 PolarHBondContact O-N 3.03Å; I333-L335 VanDerWaalsContact C-N 3.35Å; I333-L335 PolarHBondContact O-N 3.09Å; L335-S338 PolarHBondContact O-N 3.48Å; L335-L339 WeakPolarHBondContact O-CB 3.41Å; L335-L339 PolarHBondContact O-N 2.68Å
336	A	97.6	Very high	96.4	Very high	5 Å²	5	46.2 Å²	46.2	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-40.5	179.4	0	0	0	0	0	112	I290 P292 G332 I333 L339 C340 V366	I290-A336 HydrophobicContact CG2-CB 4.44Å; P292-A336 HydrophobicContact CB-CB 4.47Å; G332-A336 VanDerWaalsContact O-CB 3.27Å; G332-A336 WeakPolarHBondContact O-CB 3.32Å; G332-A336 PolarHBondContact O-N 2.74Å; I333-A336 PolarHBondContact O-N 2.89Å; A336-L339 PolarHBondContact O-N 3.24Å; A336-C340 VanDerWaalsContact O-CB 3.26Å; A336-C340 WeakPolarHBondContact O-CB 3.31Å; A336-C340 PolarHBondContact O-N 3.26Å; A336-C340 PolarHBondContact O-SG 2.96Å; A336-V366 HydrophobicContact CB-CG1 4.32Å; A336-V366 HydrophobicContact CB-CG2 3.88Å
337	V	98.4	Very high	96.4	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.024	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-46	176	169.2	0	0	0	0	110.9	I333 E334 C340 R341 V366 Q369 L370	I333-V337 HydrophobicContact CG2-CG2 4.34Å; I333-V337 WeakPolarHBondContact O-CB 3.44Å; I333-V337 VanDerWaalsContact O-CG2 3.31Å; I333-V337 WeakPolarHBondContact O-CG2 3.23Å; I333-V337 PolarHBondContact O-N 2.85Å; E334-V337 PolarHBondContact O-N 2.95Å; V337-C340 PolarHBondContact O-N 3.32Å; V337-R341 WeakPolarHBondContact O-CG 3.4Å; V337-R341 PolarHBondContact O-N 3.05Å; V337-V366 HydrophobicContact CG2-CB 4.22Å; V337-V366 HydrophobicContact CG2-CG1 3.96Å; V337-V366 HydrophobicContact CG2-CG2 4.15Å; V337-Q369 HydrophobicContact CG1-CB 4.49Å; V337-Q369 HydrophobicContact CG2-CB 3.96Å; V337-L370 HydrophobicContact CG1-CD2 4.36Å
338	S	98	Very high	96.3	Very high	60 Å²	60	50.5 Å²	50.5	42%	0.42	27%	0.268	S	S	.	.	H	α-helix	trans	-60.8	-48.8	177.7	-165.4	0	0	0	0	111.4	E334 L335 C340 R341 E342	E334-S338 PolarHBondContact O-N 2.98Å; L335-S338 PolarHBondContact O-N 3.48Å; S338-C340 PolarHBondContact O-N 3.11Å; S338-R341 PolarHBondContact O-N 3.24Å; S338-E342 PolarHBondContact O-N 3.03Å; S338-E342 VanDerWaalsContact O-N 3.12Å
339	L	98.1	Very high	96.3	Very high	17 Å²	17	50.6 Å²	50.6	9%	0.089	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-48.6	178.1	179	63.5	0	0	0	111.7	F264 A267 I290 L335 A336 R341 E342 L343	F264-L339 HydrophobicContact CD2-CD1 4.39Å; F264-L339 HydrophobicContact CD2-CD2 4.46Å; F264-L339 HydrophobicContact CE2-CD1 4Å; F264-L339 HydrophobicContact CE2-CD2 4.22Å; F264-L339 HydrophobicContact CE2-CG 4.41Å; A267-L339 HydrophobicContact CB-CD1 3.95Å; A267-L339 VanDerWaalsContact N-CD1 3.34Å; I290-L339 HydrophobicContact CD1-CD2 4.09Å; L335-L339 WeakPolarHBondContact O-CB 3.41Å; L335-L339 PolarHBondContact O-N 2.68Å; A336-L339 PolarHBondContact O-N 3.24Å; L339-R341 PolarHBondContact O-N 3.09Å; L339-E342 PolarHBondContact O-N 2.82Å; L339-L343 HydrophobicContact CD1-CD1 4.35Å; L339-L343 HydrophobicContact CG-CD1 4.06Å; L339-L343 VanDerWaalsContact O-CG 3.25Å; L339-L343 WeakPolarHBondContact O-CG 3.49Å; L339-L343 PolarHBondContact O-N 3.49Å
340	C	98.4	Very high	96.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-37.2	-179.3	-71.7	0	0	0	0	112.5	A336 V337 S338 L343 L344 L352 L370	A336-C340 VanDerWaalsContact O-CB 3.26Å; A336-C340 WeakPolarHBondContact O-CB 3.31Å; A336-C340 PolarHBondContact O-N 3.26Å; A336-C340 PolarHBondContact O-SG 2.96Å; V337-C340 PolarHBondContact O-N 3.32Å; S338-C340 PolarHBondContact O-N 3.11Å; C340-L343 PolarHBondContact O-N 3.25Å; C340-L344 WeakPolarHBondContact O-CB 3.39Å; C340-L344 VanDerWaalsContact O-CG 3.23Å; C340-L344 WeakPolarHBondContact O-CG 3.42Å; C340-L344 PolarHBondContact O-N 3.44Å; C340-L352 HydrophobicContact CB-CD1 3.82Å; C340-L370 HydrophobicContact CB-CD1 3.55Å; C340-L370 HydrophobicContact CB-CD2 3.95Å; C340-L370 HydrophobicContact CB-CG 4.39Å
341	R	98.1	Very high	96.3	Very high	119 Å²	119	44.2 Å²	44.2	45%	0.449	24%	0.24	S	C	.	.	H	α-helix	trans	-62.3	-49.2	174.8	-76.2	179	-177.4	148	4.8	111.3	V337 S338 L339 L343 L344 D345 Q369 L370	V337-R341 WeakPolarHBondContact O-CG 3.4Å; V337-R341 PolarHBondContact O-N 3.05Å; S338-R341 PolarHBondContact O-N 3.24Å; L339-R341 PolarHBondContact O-N 3.09Å; R341-L343 VanDerWaalsContact C-N 3.27Å; R341-L343 PolarHBondContact O-N 3.01Å; R341-L344 PolarHBondContact O-N 3.15Å; R341-D345 VanDerWaalsContact O-CB 3.29Å; R341-D345 WeakPolarHBondContact O-CB 3.42Å; R341-D345 PolarHBondContact O-N 3.2Å; R341-Q369 PolarHBondContact NH2-O 2.66Å; R341-Q369 VanDerWaalsContact NH2-O 3.1Å; R341-L370 HydrophobicContact CG-CD2 3.64Å
342	E	98	Very high	96.5	Very high	107 Å²	107	42.1 Å²	42.1	50%	0.5	23%	0.231	S	C	.	.	H	α-helix	trans	-57.6	-40.6	176.2	-71.3	178.4	-154	0	0	112.4	A267 S338 L339 S346	A267-E342 HydrophobicContact CB-CB 3.94Å; A267-E342 WeakPolarHBondContact CB-OE2 3.42Å; S338-E342 PolarHBondContact O-N 3.03Å; S338-E342 VanDerWaalsContact O-N 3.12Å; L339-E342 PolarHBondContact O-N 2.82Å; E342-S346 PolarHBondContact O-N 2.74Å
343	L	98	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-45.7	176.7	-73.3	172.4	0	0	0	112.4	F264 A267 F270 P288 I290 L339 C340 R341 S346 V349 L352	F264-L343 HydrophobicContact CE2-CD1 3.93Å; F264-L343 HydrophobicContact CE2-CD2 4.19Å; F264-L343 HydrophobicContact CZ-CD1 3.76Å; F264-L343 HydrophobicContact CZ-CD2 4.19Å; A267-L343 HydrophobicContact CB-CD2 4.16Å; A267-L343 HydrophobicContact CB-CG 4.36Å; F270-L343 HydrophobicContact CB-CD2 4.12Å; F270-L343 HydrophobicContact CD1-CD2 3.59Å; F270-L343 HydrophobicContact CE1-CD2 4.36Å; F270-L343 HydrophobicContact CG-CD2 4.07Å; P288-L343 HydrophobicContact CB-CD1 4.06Å; P288-L343 HydrophobicContact CG-CD1 4.24Å; I290-L343 HydrophobicContact CD1-CD1 3.67Å; L339-L343 HydrophobicContact CD1-CD1 4.35Å; L339-L343 HydrophobicContact CG-CD1 4.06Å; L339-L343 VanDerWaalsContact O-CG 3.25Å; L339-L343 WeakPolarHBondContact O-CG 3.49Å; L339-L343 PolarHBondContact O-N 3.49Å; C340-L343 PolarHBondContact O-N 3.25Å; R341-L343 VanDerWaalsContact C-N 3.27Å; R341-L343 PolarHBondContact O-N 3.01Å; L343-S346 WeakPolarHBondContact O-CB 3.24Å; L343-S346 PolarHBondContact O-N 3.14Å; L343-S346 PolarHBondContact O-OG 3.05Å; L343-V349 HydrophobicContact CB-CG2 4.11Å; L343-V349 HydrophobicContact CD2-CG2 4.32Å; L343-V349 WeakPolarHBondContact O-CG2 3.36Å; L343-L352 HydrophobicContact CD1-CD2 4.42Å
344	L	96.7	Very high	96.7	Very high	27 Å²	27	41.5 Å²	41.5	14%	0.141	23%	0.228	C	C	.	.	H	α-helix	trans	-68	-42.2	179	-69.8	170.2	0	0	0	111.7	K92 C340 R341 S346 G347 L352 L370 M372	K92-L344 HydrophobicContact CB-CD2 4.2Å; K92-L344 HydrophobicContact CD-CD2 3.91Å; K92-L344 HydrophobicContact CG-CD2 4.01Å; C340-L344 WeakPolarHBondContact O-CB 3.39Å; C340-L344 VanDerWaalsContact O-CG 3.23Å; C340-L344 WeakPolarHBondContact O-CG 3.42Å; C340-L344 PolarHBondContact O-N 3.44Å; R341-L344 PolarHBondContact O-N 3.15Å; L344-S346 PolarHBondContact O-N 2.9Å; L344-G347 PolarHBondContact O-N 3.22Å; L344-G347 VanDerWaalsContact O-N 3.13Å; L344-L352 HydrophobicContact CD1-CD1 4.11Å; L344-L352 HydrophobicContact CD2-CD1 4.42Å; L344-L352 HydrophobicContact CD2-CG 4.35Å; L344-L352 HydrophobicContact CG-CD1 4.33Å; L344-L370 HydrophobicContact CD1-CD2 4.42Å; L344-M372 HydrophobicContact CD1-SD 3.9Å
345	D	96.6	Very high	96.6	Very high	138 Å²	138	36.5 Å²	36.5	74%	0.738	20%	0.204	S	C	*	.	H	α-helix	trans	-66.6	-21.8	179.7	-70.4	-17.1	0	0	0	112.6	R341 G347	R341-D345 VanDerWaalsContact O-CB 3.29Å; R341-D345 WeakPolarHBondContact O-CB 3.42Å; R341-D345 PolarHBondContact O-N 3.2Å; D345-G347 PolarHBondContact O-N 3.44Å
346	S	95.8	Very high	96.6	Very high	43 Å²	43	34.5 Å²	34.5	30%	0.301	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.3	173.3	79.6	0	0	0	0	113.6	E342 L343 L344 L348	E342-S346 PolarHBondContact O-N 2.74Å; L343-S346 WeakPolarHBondContact O-CB 3.24Å; L343-S346 PolarHBondContact O-N 3.14Å; L343-S346 PolarHBondContact O-OG 3.05Å; L344-S346 PolarHBondContact O-N 2.9Å; S346-L348 PolarHBondContact O-N 2.95Å; S346-L348 VanDerWaalsContact O-N 3.17Å; S346-L348 PolarHBondContact OG-N 3.14Å
347	G	92.3	Very high	96.3	Very high	59 Å²	59	37.1 Å²	37.1	61%	0.608	21%	0.206	S	C	*	.	S	Bend	trans	72.4	-5.9	-175	0	0	0	0	0	115.2	L344 D345	L344-G347 PolarHBondContact O-N 3.22Å; L344-G347 VanDerWaalsContact O-N 3.13Å; D345-G347 PolarHBondContact O-N 3.44Å
348	L	91.9	Very high	96.1	Very high	106 Å²	106	38 Å²	38	56%	0.555	21%	0.211	S	C	*	.			trans	-87.8	-16.2	-179.1	-63.2	179.7	0	0	0	113.4	L271 V274 S346 P350	L271-L348 HydrophobicContact CD2-CD1 4.18Å; V274-L348 HydrophobicContact CG1-CD1 4.5Å; S346-L348 PolarHBondContact O-N 2.95Å; S346-L348 VanDerWaalsContact O-N 3.17Å; S346-L348 PolarHBondContact OG-N 3.14Å; L348-P350 WeakPolarHBondContact O-CD 3.17Å
349	V	94.3	Very high	95.8	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	21%	0.208	C	C	.	.			trans	-97.8	116	-173.2	176.3	0	0	0	0	110.3	K92 F270 P288 L343 G351 L352	K92-V349 WeakPolarHBondContact CD-O 3.21Å; K92-V349 WeakPolarHBondContact CE-O 3.41Å; F270-V349 HydrophobicContact CD1-CG2 4.23Å; F270-V349 HydrophobicContact CE1-CG2 3.49Å; F270-V349 VanDerWaalsContact CE1-CG2 3.49Å; F270-V349 HydrophobicContact CZ-CG2 4.2Å; P288-V349 HydrophobicContact CG-CG1 3.65Å; P288-V349 HydrophobicContact CG-CG2 4.32Å; L343-V349 HydrophobicContact CB-CG2 4.11Å; L343-V349 HydrophobicContact CD2-CG2 4.32Å; L343-V349 WeakPolarHBondContact O-CG2 3.36Å; V349-G351 WeakPolarHBondContact CG1-O 3.4Å; V349-L352 HydrophobicContact CG1-CD2 4.09Å
350	P	92.8	Very high	95.6	Very high	14 Å²	14	40.7 Å²	40.7	9%	0.091	21%	0.212	C	C	.	.	S	Bend	trans	-80	-26	-180	32.7	-35.8	0	0	0	112.6	M87 W93 P285 L287 L348	M87-P350 HydrophobicContact CE-CB 4.24Å; M87-P350 HydrophobicContact CG-CB 3.52Å; M87-P350 HydrophobicContact SD-CB 3.87Å; M87-P350 HydrophobicContact SD-CG 4.34Å; W93-P350 HydrophobicContact CZ2-CB 4.42Å; W93-P350 HydrophobicContact CZ2-CG 4.41Å; W93-P350 PolarHBondContact NE1-O 2.73Å; P285-P350 HydrophobicContact CB-CG 4.47Å; L287-P350 HydrophobicContact CD2-CG 3.79Å; L348-P350 WeakPolarHBondContact O-CD 3.17Å
351	G	96.8	Very high	95.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	173.6	179.1	0	0	0	0	0	112.4	W93 P288 V349	W93-G351 CarbonylContact O-C 3.51Å; W93-G351 WeakPolarHBondContact O-CA 3.41Å; P288-G351 VanDerWaalsContact CD-O 3.28Å; P288-G351 WeakPolarHBondContact CD-O 3.29Å; V349-G351 WeakPolarHBondContact CG1-O 3.4Å
352	L	98.4	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.7	-174.8	-61.7	171.7	0	0	0	110.9	W93 F94 S95 P288 I290 C340 L343 L344 V349 F354 L370 M372	W93-L352 PolarHBondContact O-N 2.79Å; F94-L352 CarbonylContact C-O 3.47Å; F94-L352 WeakPolarHBondContact CA-O 3.35Å; S95-L352 PolarHBondContact N-O 3.45Å; P288-L352 HydrophobicContact CG-CD2 3.83Å; I290-L352 HydrophobicContact CG1-CD2 4.38Å; C340-L352 HydrophobicContact CB-CD1 3.82Å; L343-L352 HydrophobicContact CD1-CD2 4.42Å; L344-L352 HydrophobicContact CD1-CD1 4.11Å; L344-L352 HydrophobicContact CD2-CD1 4.42Å; L344-L352 HydrophobicContact CD2-CG 4.35Å; L344-L352 HydrophobicContact CG-CD1 4.33Å; V349-L352 HydrophobicContact CG1-CD2 4.09Å; L352-F354 HydrophobicContact CB-CD2 4.21Å; L352-F354 HydrophobicContact CB-CE2 3.56Å; L352-F354 HydrophobicContact CB-CZ 4.27Å; L352-F354 HydrophobicContact CD1-CE2 4.1Å; L352-F354 HydrophobicContact CD1-CZ 4.15Å; L352-F354 HydrophobicContact CG-CE2 4.49Å; L352-L370 HydrophobicContact CD1-CD1 3.89Å; L352-M372 HydrophobicContact CD1-SD 3.88Å
353	H	98.6	Very high	95.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.8	177.2	177	91.7	0	0	0	110.4	S95 E97 D126 I260 L287 P288 G289 I290 Y355	S95-H353 WeakPolarHBondContact OG-CA 3.37Å; S95-H353 WeakPolarHBondContact OG-CB 3.17Å; S95-H353 PolarHBondContact OG-ND1 3Å; E97-H353 WeakPolarHBondContact CB-NE2 3.37Å; E97-H353 IonicContact OE2-NE2 3.8Å; E97-H353 PolarHBondContact OE2-NE2 3.12Å; D126-H353 IonicContact OD2-CE1 2.62Å; D126-H353 PolarHBondContact OD2-CE1 3.03Å; D126-H353 IonicContact OD2-ND1 2.9Å; I260-H353 HydrophobicContact CG2-CB 4.29Å; L287-H353 HydrophobicContact CB-CB 4.46Å; P288-H353 PolarHBondContact O-N 2.73Å; G289-H353 CarbonylContact C-O 3.51Å; G289-H353 WeakPolarHBondContact CA-O 3.3Å; I290-H353 PolarHBondContact N-O 3.03Å; H353-Y355 AromaticContact CD2-CE1 3.91Å; H353-Y355 AromaticContact NE2-CE1 3.67Å
354	F	98.3	Very high	95.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126	-174.1	-73.6	-95.8	0	0	0	113.6	F94 S95 L96 E97 I290 P292 L352 T356 T363 V366 L367 L370	F94-F354 HydrophobicContact CB-CD2 4.45Å; F94-F354 HydrophobicContact CB-CE2 4.34Å; S95-F354 PolarHBondContact O-N 2.8Å; L96-F354 HydrophobicContact CD2-CB 4.14Å; E97-F354 PolarHBondContact N-O 3.21Å; I290-F354 HydrophobicContact CB-CD1 4.07Å; I290-F354 HydrophobicContact CB-CE1 4.13Å; I290-F354 HydrophobicContact CG2-CD1 4.05Å; I290-F354 HydrophobicContact CG2-CE1 3.82Å; I290-F354 WeakPolarHBondContact O-CA 3.37Å; P292-F354 HydrophobicContact CG-CD1 3.84Å; P292-F354 HydrophobicContact CG-CE1 4.29Å; L352-F354 HydrophobicContact CB-CD2 4.21Å; L352-F354 HydrophobicContact CB-CE2 3.56Å; L352-F354 HydrophobicContact CB-CZ 4.27Å; L352-F354 HydrophobicContact CD1-CE2 4.1Å; L352-F354 HydrophobicContact CD1-CZ 4.15Å; L352-F354 HydrophobicContact CG-CE2 4.49Å; F354-T356 PolarHBondContact O-N 3.48Å; F354-T363 HydrophobicContact CB-CG2 3.75Å; F354-T363 HydrophobicContact CD1-CG2 3.86Å; F354-T363 HydrophobicContact CD2-CG2 4.45Å; F354-T363 HydrophobicContact CG-CG2 3.78Å; F354-V366 HydrophobicContact CE1-CB 4.33Å; F354-V366 HydrophobicContact CE1-CG1 3.73Å; F354-V366 HydrophobicContact CZ-CG1 3.89Å; F354-L367 HydrophobicContact CD2-CD2 4.3Å; F354-L367 HydrophobicContact CE2-CD2 3.62Å; F354-L367 HydrophobicContact CE2-CG 4.28Å; F354-L367 HydrophobicContact CZ-CD2 4.06Å; F354-L367 HydrophobicContact CZ-CG 4.46Å; F354-L370 HydrophobicContact CZ-CD1 4.5Å
355	Y	96	Very high	95.1	Very high	24 Å²	24	38.2 Å²	38.2	9%	0.094	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	98.4	168.7	-58.9	-64.4	0	0	0	110.5	E97 T261 L263 I290 F291 H353	E97-Y355 HydrophobicContact CB-CD1 4.2Å; E97-Y355 HydrophobicContact CG-CD1 4.46Å; E97-Y355 WeakPolarHBondContact OE1-CD1 3.34Å; E97-Y355 WeakPolarHBondContact OE2-CE1 3.38Å; T261-Y355 PolarHBondContact O-OH 3.06Å; L263-Y355 HydrophobicContact CB-CD2 4.29Å; L263-Y355 HydrophobicContact CB-CE2 3.97Å; I290-Y355 WeakPolarHBondContact O-CD2 3.38Å; I290-Y355 PolarHBondContact O-N 2.93Å; F291-Y355 HydrophobicContact CB-CD2 4.16Å; H353-Y355 AromaticContact CD2-CE1 3.91Å; H353-Y355 AromaticContact NE2-CE1 3.67Å
356	T	95.2	Very high	95.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.			trans	-78.9	-23.7	-170.5	71.8	0	0	0	0	114.1	L96 E97 F98 M117 Q294 F354 N358 R359 T363	L96-T356 HydrophobicContact CB-CG2 3.9Å; L96-T356 HydrophobicContact CD2-CG2 4.1Å; E97-T356 WeakPolarHBondContact O-CB 3.5Å; E97-T356 WeakPolarHBondContact O-CG2 3.32Å; E97-T356 PolarHBondContact O-N 2.74Å; E97-T356 PolarHBondContact O-OG1 3.06Å; F98-T356 VanDerWaalsContact CD1-OG1 3.23Å; F98-T356 WeakPolarHBondContact CD1-OG1 3.31Å; F98-T356 HydrophobicContact CE1-CG2 4.1Å; F98-T356 VanDerWaalsContact CE1-OG1 3.3Å; F98-T356 WeakPolarHBondContact CE1-OG1 3.44Å; F98-T356 HydrophobicContact CZ-CG2 4.07Å; M117-T356 HydrophobicContact CE-CG2 4.33Å; Q294-T356 PolarHBondContact NE2-O 3.08Å; F354-T356 PolarHBondContact O-N 3.48Å; T356-N358 PolarHBondContact O-N 3Å; T356-N358 PolarHBondContact OG1-N 2.83Å; T356-N358 VanDerWaalsContact OG1-N 3.09Å; T356-R359 PolarHBondContact O-N 3.03Å; T356-R359 VanDerWaalsContact O-N 3.08Å; T356-T363 HydrophobicContact CG2-CG2 4.49Å
357	L	91.9	Very high	95.3	Very high	59 Å²	59	29.6 Å²	29.6	31%	0.309	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	38.1	-165.9	-59.4	-173.1	0	0	0	113.4	F99 F291 R359	F99-L357 VanDerWaalsContact CE1-C 3.48Å; F99-L357 HydrophobicContact CE1-CB 4.35Å; F291-L357 HydrophobicContact CE2-CD1 3.45Å; F291-L357 VanDerWaalsContact CE2-CD1 3.45Å; F291-L357 HydrophobicContact CE2-CG 3.84Å; F291-L357 HydrophobicContact CZ-CD1 3.91Å; L357-R359 PolarHBondContact O-N 3.1Å
358	N	93.9	Very high	95.5	Very high	22 Å²	22	31.2 Å²	31.2	12%	0.118	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	27.1	-177.5	-63.7	-1.9	0	0	0	114	F98 F99 L110 R113 T356	F98-N358 WeakPolarHBondContact CA-OD1 3.37Å; F98-N358 WeakPolarHBondContact CB-OD1 3.43Å; F98-N358 WeakPolarHBondContact CD1-OD1 3.45Å; F99-N358 HydrophobicContact CD1-CB 4.48Å; F99-N358 WeakPolarHBondContact CD2-ND2 3.33Å; F99-N358 HydrophobicContact CE1-CB 3.92Å; F99-N358 WeakPolarHBondContact CE2-ND2 3.34Å; F99-N358 HydrophobicContact CZ-CB 4Å; F99-N358 WeakPolarHBondContact CZ-ND2 3.28Å; F99-N358 PolarHBondContact N-OD1 3.2Å; F99-N358 PolarHBondContact O-ND2 3.25Å; F99-N358 PolarHBondContact O-OD1 3.19Å; L110-N358 HydrophobicContact CD1-CB 4.44Å; R113-N358 PolarHBondContact NE-O 3.39Å; R113-N358 PolarHBondContact NH2-O 2.93Å; T356-N358 PolarHBondContact O-N 3Å; T356-N358 PolarHBondContact OG1-N 2.83Å; T356-N358 VanDerWaalsContact OG1-N 3.09Å
359	R	91.7	Very high	95.8	Very high	94 Å²	94	30 Å²	30	36%	0.355	14%	0.143	S	C	.	.			trans	-122.3	139.9	175.3	-61.5	180	84.5	-172.3	8.3	109.9	Q294 T356 L357	Q294-R359 VanDerWaalsContact CB-NH1 3.34Å; Q294-R359 PolarHBondContact O-NH1 2.99Å; T356-R359 PolarHBondContact O-N 3.03Å; T356-R359 VanDerWaalsContact O-N 3.08Å; L357-R359 PolarHBondContact O-N 3.1Å
360	E	93.4	Very high	95.9	Very high	41 Å²	41	31.2 Å²	31.2	19%	0.192	15%	0.15	C	C	.	.			trans	-98.2	-35.8	-172.7	72.3	-158.6	163	0	0	114.1	R113 R116 M117 A362 T363 M364	R113-E360 HydrophobicContact CG-CB 4.26Å; R113-E360 IonicContact CZ-OE2 3.45Å; R113-E360 VanDerWaalsContact NH1-CG 3.26Å; R113-E360 IonicContact NH1-OE1 3.59Å; R113-E360 PolarHBondContact NH1-OE1 2.8Å; R113-E360 IonicContact NH1-OE2 3.33Å; R113-E360 PolarHBondContact NH1-OE2 3.29Å; R116-E360 IonicContact CZ-OE1 3.72Å; R116-E360 IonicContact CZ-OE2 3.88Å; R116-E360 VanDerWaalsContact CZ-OE2 3.27Å; R116-E360 IonicContact NE-OE1 2.8Å; R116-E360 IonicContact NE-OE2 3.36Å; R116-E360 PolarHBondContact NE-OE2 3.21Å; R116-E360 IonicContact NH2-OE1 2.62Å; R116-E360 PolarHBondContact NH2-OE1 2.9Å; R116-E360 IonicContact NH2-OE2 2.63Å; R116-E360 PolarHBondContact NH2-OE2 2.8Å; M117-E360 HydrophobicContact CE-CB 4.32Å; M117-E360 HydrophobicContact CG-CB 4.05Å; M117-E360 HydrophobicContact SD-CB 3.66Å; E360-A362 PolarHBondContact O-N 2.84Å; E360-T363 PolarHBondContact O-N 3.35Å; E360-M364 HydrophobicContact CB-CG 4.38Å; E360-M364 HydrophobicContact CB-SD 3.74Å; E360-M364 HydrophobicContact CG-SD 3.89Å; E360-M364 WeakPolarHBondContact O-CB 3.45Å; E360-M364 WeakPolarHBondContact O-CG 3.25Å; E360-M364 PolarHBondContact O-N 3.04Å
361	V	94.2	Very high	96.1	Very high	84 Å²	84	33.9 Å²	33.9	51%	0.509	18%	0.18	S	C	.	.	H	α-helix	trans	-58.2	-52.5	-164.4	178.9	0	0	0	0	113.1	E365	V361-E365 WeakPolarHBondContact O-CB 3.45Å; V361-E365 PolarHBondContact O-N 3.06Å; V361-E365 VanDerWaalsContact O-N 3.09Å
362	A	95.3	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.2	-46.6	-175.8	0	0	0	0	0	111.8	P292 Q294 R329 I333 E360 E365 V366	P292-A362 HydrophobicContact CB-CB 4.14Å; Q294-A362 HydrophobicContact CG-CB 3.76Å; R329-A362 HydrophobicContact CG-CB 4.16Å; I333-A362 HydrophobicContact CD1-CB 4.4Å; I333-A362 HydrophobicContact CG1-CB 4.07Å; E360-A362 PolarHBondContact O-N 2.84Å; A362-E365 PolarHBondContact O-N 3.24Å; A362-V366 VanDerWaalsContact O-CG2 3.28Å; A362-V366 WeakPolarHBondContact O-CG2 3.25Å; A362-V366 PolarHBondContact O-N 3.43Å
363	T	97	Very high	95.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.7	-43.1	-179.3	-55.8	0	0	0	0	112	L96 M117 F354 T356 E360 E365 V366 L367	L96-T363 HydrophobicContact CD2-CG2 3.54Å; M117-T363 HydrophobicContact CE-CG2 4.33Å; F354-T363 HydrophobicContact CB-CG2 3.75Å; F354-T363 HydrophobicContact CD1-CG2 3.86Å; F354-T363 HydrophobicContact CD2-CG2 4.45Å; F354-T363 HydrophobicContact CG-CG2 3.78Å; T356-T363 HydrophobicContact CG2-CG2 4.49Å; E360-T363 PolarHBondContact O-N 3.35Å; T363-E365 VanDerWaalsContact C-N 3.34Å; T363-E365 PolarHBondContact O-N 2.82Å; T363-V366 PolarHBondContact O-N 3.15Å; T363-L367 HydrophobicContact CG2-CD1 3.97Å; T363-L367 WeakPolarHBondContact O-CB 3.28Å; T363-L367 VanDerWaalsContact O-CG 3.29Å; T363-L367 WeakPolarHBondContact O-CG 3.27Å; T363-L367 PolarHBondContact O-N 3.16Å
364	M	96.2	Very high	95.5	Very high	40 Å²	40	39.8 Å²	39.8	20%	0.197	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-43.9	176.4	-72.4	176.9	65.6	0	0	111.7	M117 E360 L367 K368 W373	M117-M364 HydrophobicContact CE-CG 4.31Å; M117-M364 HydrophobicContact CG-SD 4.46Å; E360-M364 HydrophobicContact CB-CG 4.38Å; E360-M364 HydrophobicContact CB-SD 3.74Å; E360-M364 HydrophobicContact CG-SD 3.89Å; E360-M364 WeakPolarHBondContact O-CB 3.45Å; E360-M364 WeakPolarHBondContact O-CG 3.25Å; E360-M364 PolarHBondContact O-N 3.04Å; M364-L367 PolarHBondContact O-N 3.28Å; M364-K368 WeakPolarHBondContact O-CG 3.39Å; M364-K368 PolarHBondContact O-N 3.33Å; M364-W373 HydrophobicContact CB-CZ3 4.38Å; M364-W373 HydrophobicContact CE-CH2 3.88Å; M364-W373 HydrophobicContact CE-CZ2 3.71Å; M364-W373 HydrophobicContact CG-CE3 4.47Å; M364-W373 HydrophobicContact CG-CH2 3.68Å; M364-W373 HydrophobicContact CG-CZ2 4.41Å; M364-W373 HydrophobicContact CG-CZ3 3.73Å; M364-W373 HydrophobicContact SD-CH2 4.2Å
365	E	97.1	Very high	94.4	Very high	77 Å²	77	47.7 Å²	47.7	36%	0.36	25%	0.248	S	C	.	.	H	α-helix	trans	-64.7	-44.1	179.5	-173.9	57.8	-152.2	0	0	111.8	I333 V361 A362 T363 L367 K368 Q369	I333-E365 HydrophobicContact CD1-CB 4.1Å; I333-E365 HydrophobicContact CD1-CG 4.06Å; I333-E365 HydrophobicContact CG2-CB 4.45Å; I333-E365 HydrophobicContact CG2-CG 3.93Å; V361-E365 WeakPolarHBondContact O-CB 3.45Å; V361-E365 PolarHBondContact O-N 3.06Å; V361-E365 VanDerWaalsContact O-N 3.09Å; A362-E365 PolarHBondContact O-N 3.24Å; T363-E365 VanDerWaalsContact C-N 3.34Å; T363-E365 PolarHBondContact O-N 2.82Å; E365-L367 PolarHBondContact O-N 2.96Å; E365-K368 PolarHBondContact O-N 3.39Å; E365-Q369 WeakPolarHBondContact O-CG 3.11Å; E365-Q369 PolarHBondContact O-N 2.97Å; E365-Q369 PolarHBondContact OE1-NE2 3.21Å
366	V	98.2	Very high	93.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-48.6	174.3	173.5	0	0	0	0	110.6	I333 A336 V337 F354 A362 T363 K368 Q369 L370	I333-V366 HydrophobicContact CB-CG2 4.28Å; I333-V366 HydrophobicContact CG1-CG2 4.3Å; I333-V366 HydrophobicContact CG2-CG2 3.98Å; A336-V366 HydrophobicContact CB-CG1 4.32Å; A336-V366 HydrophobicContact CB-CG2 3.88Å; V337-V366 HydrophobicContact CG2-CB 4.22Å; V337-V366 HydrophobicContact CG2-CG1 3.96Å; V337-V366 HydrophobicContact CG2-CG2 4.15Å; F354-V366 HydrophobicContact CE1-CB 4.33Å; F354-V366 HydrophobicContact CE1-CG1 3.73Å; F354-V366 HydrophobicContact CZ-CG1 3.89Å; A362-V366 VanDerWaalsContact O-CG2 3.28Å; A362-V366 WeakPolarHBondContact O-CG2 3.25Å; A362-V366 PolarHBondContact O-N 3.43Å; T363-V366 PolarHBondContact O-N 3.15Å; V366-K368 PolarHBondContact O-N 3.02Å; V366-Q369 PolarHBondContact O-N 3.24Å; V366-L370 HydrophobicContact CG1-CD1 3.75Å; V366-L370 HydrophobicContact CG1-CG 4.38Å; V366-L370 VanDerWaalsContact O-CG 3.23Å; V366-L370 WeakPolarHBondContact O-CG 3.34Å; V366-L370 PolarHBondContact O-N 3.3Å
367	L	98	Very high	92.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-38.7	-179.4	-72.1	168	0	0	0	113	F94 L96 F354 T363 M364 E365 L370 G371 M372 W373	F94-L367 HydrophobicContact CB-CD2 3.7Å; F94-L367 HydrophobicContact CD1-CD1 4.42Å; F94-L367 HydrophobicContact CD1-CD2 3.77Å; F94-L367 HydrophobicContact CD2-CD1 3.58Å; F94-L367 HydrophobicContact CD2-CD2 3.9Å; F94-L367 HydrophobicContact CD2-CG 4.41Å; F94-L367 HydrophobicContact CE1-CD1 4.37Å; F94-L367 HydrophobicContact CE1-CD2 4.38Å; F94-L367 HydrophobicContact CE2-CD1 3.5Å; F94-L367 VanDerWaalsContact CE2-CD1 3.5Å; F94-L367 HydrophobicContact CE2-CD2 4.47Å; F94-L367 HydrophobicContact CG-CD1 4.05Å; F94-L367 HydrophobicContact CG-CD2 3.5Å; F94-L367 HydrophobicContact CG-CG 4.45Å; F94-L367 HydrophobicContact CZ-CD1 3.92Å; L96-L367 HydrophobicContact CD2-CD1 4.25Å; F354-L367 HydrophobicContact CD2-CD2 4.3Å; F354-L367 HydrophobicContact CE2-CD2 3.62Å; F354-L367 HydrophobicContact CE2-CG 4.28Å; F354-L367 HydrophobicContact CZ-CD2 4.06Å; F354-L367 HydrophobicContact CZ-CG 4.46Å; T363-L367 HydrophobicContact CG2-CD1 3.97Å; T363-L367 WeakPolarHBondContact O-CB 3.28Å; T363-L367 VanDerWaalsContact O-CG 3.29Å; T363-L367 WeakPolarHBondContact O-CG 3.27Å; T363-L367 PolarHBondContact O-N 3.16Å; M364-L367 PolarHBondContact O-N 3.28Å; E365-L367 PolarHBondContact O-N 2.96Å; L367-L370 PolarHBondContact O-N 3.42Å; L367-G371 PolarHBondContact O-N 3.35Å; L367-M372 HydrophobicContact CD2-CB 4.22Å; L367-M372 PolarHBondContact O-N 3.44Å; L367-W373 HydrophobicContact CB-CB 4.27Å; L367-W373 HydrophobicContact CB-CE3 4.02Å; L367-W373 HydrophobicContact CD1-CE3 3.88Å; L367-W373 HydrophobicContact CD1-CZ3 4.05Å; L367-W373 PolarHBondContact O-N 3.42Å
368	K	96.8	Very high	91.8	Very high	92 Å²	92	60.1 Å²	60.1	40%	0.4	31%	0.308	S	S	.	.	H	α-helix	trans	-64.6	-46.2	174.6	-75.2	178.5	177.1	-168.7	0	111.8	M364 E365 V366 L370 G371 W373	M364-K368 WeakPolarHBondContact O-CG 3.39Å; M364-K368 PolarHBondContact O-N 3.33Å; E365-K368 PolarHBondContact O-N 3.39Å; V366-K368 PolarHBondContact O-N 3.02Å; K368-L370 PolarHBondContact O-N 3.29Å; K368-G371 PolarHBondContact O-N 3Å; K368-W373 HydrophobicContact CB-CB 4.42Å; K368-W373 HydrophobicContact CG-CB 3.64Å; K368-W373 HydrophobicContact CG-CD2 4.44Å; K368-W373 HydrophobicContact CG-CG 3.73Å
369	Q	97.6	Very high	91.4	Very high	80 Å²	80	66.3 Å²	66.3	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-67.4	-20.5	177.8	-69.9	-170.3	28.9	0	0	114.1	V337 R341 E365 V366	V337-Q369 HydrophobicContact CG1-CB 4.49Å; V337-Q369 HydrophobicContact CG2-CB 3.96Å; R341-Q369 PolarHBondContact NH2-O 2.66Å; R341-Q369 VanDerWaalsContact NH2-O 3.1Å; E365-Q369 WeakPolarHBondContact O-CG 3.11Å; E365-Q369 PolarHBondContact O-N 2.97Å; E365-Q369 PolarHBondContact OE1-NE2 3.21Å; V366-Q369 PolarHBondContact O-N 3.24Å
370	L	97.1	Very high	91.2	Very high	29 Å²	29	66.2 Å²	66.2	15%	0.152	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.1	171.4	-66.7	171.9	0	0	0	113	V337 C340 R341 L344 L352 F354 V366 L367 K368 M372	V337-L370 HydrophobicContact CG1-CD2 4.36Å; C340-L370 HydrophobicContact CB-CD1 3.55Å; C340-L370 HydrophobicContact CB-CD2 3.95Å; C340-L370 HydrophobicContact CB-CG 4.39Å; R341-L370 HydrophobicContact CG-CD2 3.64Å; L344-L370 HydrophobicContact CD1-CD2 4.42Å; L352-L370 HydrophobicContact CD1-CD1 3.89Å; F354-L370 HydrophobicContact CZ-CD1 4.5Å; V366-L370 HydrophobicContact CG1-CD1 3.75Å; V366-L370 HydrophobicContact CG1-CG 4.38Å; V366-L370 VanDerWaalsContact O-CG 3.23Å; V366-L370 WeakPolarHBondContact O-CG 3.34Å; V366-L370 PolarHBondContact O-N 3.3Å; L367-L370 PolarHBondContact O-N 3.42Å; K368-L370 PolarHBondContact O-N 3.29Å; L370-M372 HydrophobicContact CB-CG 4.01Å; L370-M372 HydrophobicContact CB-SD 4.21Å; L370-M372 HydrophobicContact CD1-SD 4.4Å; L370-M372 PolarHBondContact O-N 3.48Å
371	G	95.9	Very high	91.2	Very high	70 Å²	70	64.7 Å²	64.7	72%	0.722	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	20.7	-175.8	0	0	0	0	0	113.8	L367 K368	L367-G371 PolarHBondContact O-N 3.35Å; K368-G371 PolarHBondContact O-N 3Å
372	M	96	Very high	91.1	Very high	28 Å²	28	63 Å²	63	14%	0.138	33%	0.326	C	S	.	.			trans	-101	-3.4	-177.9	-61.8	-177.5	72.2	0	0	113	K92 W93 F94 L344 L352 L367 L370	K92-M372 HydrophobicContact CB-CE 3.92Å; W93-M372 VanDerWaalsContact C-CE 3.43Å; W93-M372 VanDerWaalsContact O-CE 3.22Å; W93-M372 WeakPolarHBondContact O-CE 3.49Å; F94-M372 HydrophobicContact CB-CE 4.36Å; F94-M372 HydrophobicContact CD1-CB 4.42Å; F94-M372 WeakPolarHBondContact CE1-O 3.44Å; L344-M372 HydrophobicContact CD1-SD 3.9Å; L352-M372 HydrophobicContact CD1-SD 3.88Å; L367-M372 HydrophobicContact CD2-CB 4.22Å; L367-M372 PolarHBondContact O-N 3.44Å; L370-M372 HydrophobicContact CB-CG 4.01Å; L370-M372 HydrophobicContact CB-SD 4.21Å; L370-M372 HydrophobicContact CD1-SD 4.4Å; L370-M372 PolarHBondContact O-N 3.48Å
373	W	95	Very high	90.9	Very high	31 Å²	31	64.7 Å²	64.7	12%	0.117	33%	0.332	C	S	.	.	S	Bend	trans	-92.7	124.8	176.7	-171.4	-84	0	0	0	110.9	F94 A119 G120 M364 L367 K368 E375	F94-W373 HydrophobicContact CZ-CE3 4.39Å; F94-W373 HydrophobicContact CZ-CZ3 4.49Å; A119-W373 HydrophobicContact CB-CZ2 4.46Å; G120-W373 VanDerWaalsContact CA-CD2 3.4Å; G120-W373 VanDerWaalsContact CA-CZ2 3.41Å; G120-W373 VanDerWaalsContact N-CZ2 3.3Å; M364-W373 HydrophobicContact CB-CZ3 4.38Å; M364-W373 HydrophobicContact CE-CH2 3.88Å; M364-W373 HydrophobicContact CE-CZ2 3.71Å; M364-W373 HydrophobicContact CG-CE3 4.47Å; M364-W373 HydrophobicContact CG-CH2 3.68Å; M364-W373 HydrophobicContact CG-CZ2 4.41Å; M364-W373 HydrophobicContact CG-CZ3 3.73Å; M364-W373 HydrophobicContact SD-CH2 4.2Å; L367-W373 HydrophobicContact CB-CB 4.27Å; L367-W373 HydrophobicContact CB-CE3 4.02Å; L367-W373 HydrophobicContact CD1-CE3 3.88Å; L367-W373 HydrophobicContact CD1-CZ3 4.05Å; L367-W373 PolarHBondContact O-N 3.42Å; K368-W373 HydrophobicContact CB-CB 4.42Å; K368-W373 HydrophobicContact CG-CB 3.64Å; K368-W373 HydrophobicContact CG-CD2 4.44Å; K368-W373 HydrophobicContact CG-CG 3.73Å; W373-E375 PolarHBondContact O-N 2.99Å
374	T	89.7	Confident	90.3	Very high	65 Å²	65	67.9 Å²	67.9	40%	0.399	36%	0.358	S	S	.	.			trans	-76.6	118.9	174.1	-52.3	0	0	0	0	110	G120 P377	G120-T374 PolarHBondContact O-N 3Å; G120-T374 VanDerWaalsContact O-N 3.16Å; G120-T374 PolarHBondContact O-OG1 3.41Å; T374-P377 HydrophobicContact CG2-CB 3.98Å
375	E	76.5	Confident	89.9	Confident	165 Å²	165	67.7 Å²	67.7	77%	0.771	36%	0.359	S	S	*	.	S	Bend	trans	-82	-35.5	-178	-65	-161.5	149.1	0	0	113.8	W373	W373-E375 PolarHBondContact O-N 2.99Å
376	D	72.1	Confident	89.5	Confident	133 Å²	133	64.2 Å²	64.2	71%	0.711	34%	0.343	S	S	*	.	S	Bend	trans	-130.4	76.7	178.5	-169.1	9.3	0	0	0	110.4	R378	D376-R378 PolarHBondContact O-N 2.87Å
377	P	75.6	Confident	89.1	Confident	58 Å²	58	65.7 Å²	65.7	38%	0.377	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-67.8	116.5	179.1	28.1	-33.7	0	0	0	109.5	T374 R379	T374-P377 HydrophobicContact CG2-CB 3.98Å; P377-R379 PolarHBondContact O-N 3.39Å
378	R	79.4	Confident	88.7	Confident	153 Å²	153	66.8 Å²	66.8	58%	0.577	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-59.9	131.9	172.1	-81	-174.3	-96.3	162.6	-9.8	110.3	D376 P380 S537	D376-R378 PolarHBondContact O-N 2.87Å; R378-P380 WeakPolarHBondContact O-CD 3.49Å; R378-S537 PolarHBondContact NH1-OG 3.03Å; R378-S537 VanDerWaalsContact NH1-OG 3.09Å
379	R	86.9	Confident	88.3	Confident	153 Å²	153	64.1 Å²	64.1	58%	0.577	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-76.2	125.2	178.9	-56.2	-178.8	-166.8	175.7	5.3	109.7	P377 L381 W534 G535	P377-R379 PolarHBondContact O-N 3.39Å; R379-L381 VanDerWaalsContact C-N 3.29Å; R379-L381 WeakPolarHBondContact CB-O 3.44Å; R379-L381 PolarHBondContact O-N 3.25Å; R379-W534 WeakPolarHBondContact O-CA 3.31Å; R379-W534 WeakPolarHBondContact O-CB 3.48Å; R379-G535 PolarHBondContact O-N 2.91Å
380	P	87.9	Confident	87.9	Confident	92 Å²	92	66.4 Å²	66.4	60%	0.597	36%	0.361	S	S	*	.	S	Bend	trans	-63.3	-36.2	178.3	-24.4	34.5	0	0	0	113	R378 G535	R378-P380 WeakPolarHBondContact O-CD 3.49Å; P380-G535 WeakPolarHBondContact O-CA 3.37Å; P380-G535 PolarHBondContact O-N 3.44Å
381	L	91.9	Very high	87.5	Confident	8 Å²	8	65.2 Å²	65.2	4%	0.042	36%	0.355	C	S	.	.	S	Bend	trans	-139.4	167.5	177.9	-65.4	176.2	0	0	0	108.9	R379 W383 V385 Y395 W534 I604 P606	R379-L381 VanDerWaalsContact C-N 3.29Å; R379-L381 WeakPolarHBondContact CB-O 3.44Å; R379-L381 PolarHBondContact O-N 3.25Å; L381-W383 HydrophobicContact CB-CD2 4.4Å; L381-W383 HydrophobicContact CD1-CD2 4.39Å; L381-W383 HydrophobicContact CD1-CE3 4.28Å; L381-W383 HydrophobicContact CD1-CH2 3.54Å; L381-W383 HydrophobicContact CD1-CZ2 3.63Å; L381-W383 HydrophobicContact CD1-CZ3 3.88Å; L381-W383 PolarHBondContact O-N 3.05Å; L381-V385 HydrophobicContact CD1-CG2 3.96Å; L381-V385 HydrophobicContact CG-CG2 4.49Å; L381-Y395 HydrophobicContact CD1-CD1 4.17Å; L381-W534 HydrophobicContact CD2-CE3 4.18Å; L381-W534 HydrophobicContact CD2-CZ3 3.98Å; L381-I604 HydrophobicContact CD2-CG2 4.19Å; L381-P606 HydrophobicContact CD2-CB 4.09Å
382	P	91.9	Very high	86.9	Confident	50 Å²	50	64 Å²	64	33%	0.325	33%	0.328	S	S	.	.	S	Bend	trans	-60.3	-12.3	173.7	-25.5	36.3	0	0	0	114.7	W534 T594 P606	P382-W534 HydrophobicContact CG-CD2 3.97Å; P382-W534 HydrophobicContact CG-CG 3.96Å; P382-W534 HydrophobicContact CG-CZ2 4.5Å; P382-T594 HydrophobicContact CG-CG2 4.13Å; P382-P606 HydrophobicContact CG-CG 3.75Å
383	W	91.1	Very high	86.4	Confident	35 Å²	35	66.1 Å²	66.1	13%	0.133	34%	0.338	C	S	.	.	S	Bend	trans	-132.2	156.9	179.6	45	-100.1	0	0	0	111.5	L381 V385 E394 R397 P606	L381-W383 HydrophobicContact CB-CD2 4.4Å; L381-W383 HydrophobicContact CD1-CD2 4.39Å; L381-W383 HydrophobicContact CD1-CE3 4.28Å; L381-W383 HydrophobicContact CD1-CH2 3.54Å; L381-W383 HydrophobicContact CD1-CZ2 3.63Å; L381-W383 HydrophobicContact CD1-CZ3 3.88Å; L381-W383 PolarHBondContact O-N 3.05Å; W383-V385 HydrophobicContact CE3-CG2 4.5Å; W383-V385 HydrophobicContact CZ3-CG2 4.12Å; W383-E394 HydrophobicContact CH2-CG 4.14Å; W383-E394 WeakPolarHBondContact CH2-O 3.46Å; W383-R397 HydrophobicContact CD2-CG 4.42Å; W383-R397 HydrophobicContact CH2-CG 4.34Å; W383-R397 HydrophobicContact CZ2-CG 3.83Å; W383-P606 PolarHBondContact NE1-O 2.94Å; W383-P606 VanDerWaalsContact NE1-O 3.15Å
384	A	86.2	Confident	86.1	Confident	66 Å²	66	64.6 Å²	64.6	55%	0.545	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-70.3	131.8	-179.6	0	0	0	0	0	112.1
385	V	86.9	Confident	86.1	Confident	37 Å²	37	62 Å²	62	22%	0.224	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-82.3	132.2	-176.7	167.4	0	0	0	0	110.7	R75 G155 L381 W383	R75-V385 VanDerWaalsContact NE-CG1 3.33Å; G155-V385 WeakPolarHBondContact CA-O 3.5Å; L381-V385 HydrophobicContact CD1-CG2 3.96Å; L381-V385 HydrophobicContact CG-CG2 4.49Å; W383-V385 HydrophobicContact CE3-CG2 4.5Å; W383-V385 HydrophobicContact CZ3-CG2 4.12Å
386	S	88.5	Confident	86.8	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.028	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-72.6	140.9	171.9	-173.5	0	0	0	0	111	N152 H388	N152-S386 PolarHBondContact O-OG 3.42Å; N152-S386 VanDerWaalsContact O-OG 3.08Å; S386-H388 VanDerWaalsContact C-N 3.28Å; S386-H388 PolarHBondContact OG-N 3.08Å
387	A	89.8	Confident	87.9	Confident	30 Å²	30	48.4 Å²	48.4	25%	0.248	25%	0.247	C	C	.	.			trans	-84.9	-2.9	175.2	0	0	0	0	0	112.9	V151	V151-A387 HydrophobicContact CG1-CB 4.1Å; V151-A387 PolarHBondContact O-N 2.93Å; V151-A387 VanDerWaalsContact O-N 3.11Å
388	H	90.4	Very high	88.9	Confident	23 Å²	23	45.9 Å²	45.9	11%	0.106	23%	0.23	C	C	.	.			trans	-60.8	129.8	-179.1	-169.7	-84.7	0	0	0	111.6	N152 G183 S386 K390 R391	N152-H388 WeakPolarHBondContact OD1-CB 3.28Å; N152-H388 PolarHBondContact OD1-CD2 2.76Å; G183-H388 VanDerWaalsContact CA-CD2 3.48Å; G183-H388 WeakPolarHBondContact CA-CD2 3.31Å; G183-H388 WeakPolarHBondContact CA-NE2 3.44Å; S386-H388 VanDerWaalsContact C-N 3.28Å; S386-H388 PolarHBondContact OG-N 3.08Å; H388-K390 VanDerWaalsContact C-N 3.3Å; H388-K390 WeakPolarHBondContact ND1-CB 3.32Å; H388-K390 PolarHBondContact ND1-N 3.33Å; H388-K390 VanDerWaalsContact ND1-N 3.13Å; H388-K390 PolarHBondContact O-N 2.97Å; H388-R391 HydrophobicContact CB-CB 4.4Å; H388-R391 HydrophobicContact CB-CG 4.39Å; H388-R391 PolarHBondContact O-N 3.25Å
389	P	88.3	Confident	89.7	Confident	37 Å²	37	39 Å²	39	24%	0.24	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-56.2	-36.9	-175.6	-28.1	35.1	0	0	0	115	G183 R391 R392	G183-P389 VanDerWaalsContact O-CD 3.31Å; G183-P389 WeakPolarHBondContact O-CD 3.34Å; P389-R391 VanDerWaalsContact C-N 3.27Å; P389-R391 PolarHBondContact O-N 2.91Å; P389-R392 WeakPolarHBondContact O-CD 3.4Å; P389-R392 VanDerWaalsContact O-CG 3.27Å; P389-R392 WeakPolarHBondContact O-CG 3.4Å
390	K	87.6	Confident	90.2	Very high	127 Å²	127	31.9 Å²	31.9	55%	0.552	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-67.7	-22.7	177.2	-64.5	-176.5	179.8	-175.3	0	114	H388 F418	H388-K390 VanDerWaalsContact C-N 3.3Å; H388-K390 WeakPolarHBondContact ND1-CB 3.32Å; H388-K390 PolarHBondContact ND1-N 3.33Å; H388-K390 VanDerWaalsContact ND1-N 3.13Å; H388-K390 PolarHBondContact O-N 2.97Å; K390-F418 HydrophobicContact CB-CE2 4.16Å; K390-F418 VanDerWaalsContact O-CD2 3.28Å; K390-F418 WeakPolarHBondContact O-CD2 3.39Å
391	R	89.2	Confident	90.6	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.015	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-97.6	11.9	-174.6	-68.8	-179.9	175.2	-91.8	1.6	113.7	R75 H388 P389 E393 E394 I409 T412 F418	R75-R391 PolarHBondContact NH2-O 3.21Å; H388-R391 HydrophobicContact CB-CB 4.4Å; H388-R391 HydrophobicContact CB-CG 4.39Å; H388-R391 PolarHBondContact O-N 3.25Å; P389-R391 VanDerWaalsContact C-N 3.27Å; P389-R391 PolarHBondContact O-N 2.91Å; R391-E393 PolarHBondContact O-N 3.1Å; R391-E394 HydrophobicContact CB-CB 4.47Å; R391-E394 IonicContact NH1-OE1 3.43Å; R391-E394 IonicContact NH1-OE2 3.82Å; R391-E394 PolarHBondContact NH1-OE2 3.07Å; R391-E394 VanDerWaalsContact O-CB 3.26Å; R391-E394 WeakPolarHBondContact O-CB 3.23Å; R391-E394 PolarHBondContact O-N 3.16Å; R391-E394 VanDerWaalsContact O-N 3.14Å; R391-I409 PolarHBondContact NH2-O 3.21Å; R391-T412 PolarHBondContact NH1-OG1 2.82Å; R391-T412 VanDerWaalsContact NH1-OG1 3.14Å; R391-T412 PolarHBondContact NH2-O 2.82Å; R391-T412 PolarHBondContact NH2-OG1 2.85Å; R391-F418 HydrophobicContact CB-CD2 4.48Å; R391-F418 HydrophobicContact CG-CD1 4.19Å; R391-F418 HydrophobicContact CG-CD2 3.85Å; R391-F418 HydrophobicContact CG-CE1 3.96Å; R391-F418 HydrophobicContact CG-CE2 3.57Å; R391-F418 HydrophobicContact CG-CG 4.15Å; R391-F418 HydrophobicContact CG-CZ 3.63Å
392	R	84.6	Confident	90.7	Very high	46 Å²	46	30.3 Å²	30.3	17%	0.174	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.9	-177.2	-71.9	175.1	-179.1	-165.8	-2.2	113.3	R75 H76 P389 E394	R75-R392 PolarHBondContact NE-O 3.33Å; R75-R392 PolarHBondContact NH1-O 3.42Å; R75-R392 PolarHBondContact NH2-O 2.93Å; H76-R392 PolarHBondContact O-NH1 3.39Å; P389-R392 WeakPolarHBondContact O-CD 3.4Å; P389-R392 VanDerWaalsContact O-CG 3.27Å; P389-R392 WeakPolarHBondContact O-CG 3.4Å; R392-E394 VanDerWaalsContact C-N 3.32Å
393	E	84.7	Confident	90.7	Very high	71 Å²	71	30.1 Å²	30.1	33%	0.332	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	4.2	179.6	-59.4	-58.2	155.6	0	0	113.4	H76 R391 Y395 N420	H76-E393 IonicContact CE1-OE1 3.84Å; H76-E393 PolarHBondContact CE1-OE1 3.36Å; H76-E393 IonicContact ND1-OE1 3.58Å; H76-E393 IonicContact NE2-OE1 3.3Å; R391-E393 PolarHBondContact O-N 3.1Å; E393-Y395 WeakPolarHBondContact O-CD2 3.45Å; E393-Y395 PolarHBondContact O-N 3.27Å; E393-N420 HydrophobicContact CB-CB 4.41Å; E393-N420 WeakPolarHBondContact O-CB 3.36Å; E393-N420 PolarHBondContact OE2-ND2 3.35Å
394	E	89.8	Confident	90.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.169	C	C	.	.			trans	-74.6	115.3	176.9	-167.8	-175.8	-179.9	0	0	109.5	R75 W383 R391 R392 R397 Y408 F418	R75-E394 PolarHBondContact NH1-O 2.91Å; R75-E394 PolarHBondContact NH2-O 3.12Å; W383-E394 HydrophobicContact CH2-CG 4.14Å; W383-E394 WeakPolarHBondContact CH2-O 3.46Å; R391-E394 HydrophobicContact CB-CB 4.47Å; R391-E394 IonicContact NH1-OE1 3.43Å; R391-E394 IonicContact NH1-OE2 3.82Å; R391-E394 PolarHBondContact NH1-OE2 3.07Å; R391-E394 VanDerWaalsContact O-CB 3.26Å; R391-E394 WeakPolarHBondContact O-CB 3.23Å; R391-E394 PolarHBondContact O-N 3.16Å; R391-E394 VanDerWaalsContact O-N 3.14Å; R392-E394 VanDerWaalsContact C-N 3.32Å; E394-R397 VanDerWaalsContact CD-NH2 3.31Å; E394-R397 IonicContact OE1-CZ 3.96Å; E394-R397 IonicContact OE1-NE 3.27Å; E394-R397 PolarHBondContact OE1-NE 3.3Å; E394-R397 IonicContact OE1-NH2 2.86Å; E394-R397 PolarHBondContact OE1-NH2 3.1Å; E394-R397 VanDerWaalsContact OE1-NH2 3.13Å; E394-R397 IonicContact OE2-CZ 3.8Å; E394-R397 IonicContact OE2-NE 3.93Å; E394-R397 IonicContact OE2-NH2 2.99Å; E394-R397 PolarHBondContact OE2-NH2 2.86Å; E394-Y408 WeakPolarHBondContact OE1-CE1 3.27Å; E394-Y408 PolarHBondContact OE1-OH 3.27Å; E394-F418 HydrophobicContact CB-CB 3.9Å; E394-F418 HydrophobicContact CB-CG 4.46Å; E394-F418 HydrophobicContact CG-CB 4.17Å
395	Y	88.4	Confident	91	Very high	10 Å²	10	28.4 Å²	28.4	4%	0.039	16%	0.158	C	C	.	.			trans	-130.8	-7.9	-178.8	-70.9	-70.5	0	0	0	114.5	L71 R75 L381 E393 P419 P606	L71-Y395 HydrophobicContact CB-CE1 3.64Å; L71-Y395 HydrophobicContact CD1-CD1 3.27Å; L71-Y395 HydrophobicContact CD1-CD2 4.01Å; L71-Y395 HydrophobicContact CD1-CE1 3.25Å; L71-Y395 HydrophobicContact CD1-CE2 4.01Å; L71-Y395 HydrophobicContact CD1-CG 3.67Å; L71-Y395 HydrophobicContact CG-CD1 4.44Å; L71-Y395 HydrophobicContact CG-CE1 3.99Å; R75-Y395 PolarHBondContact NH1-OH 2.96Å; L381-Y395 HydrophobicContact CD1-CD1 4.17Å; E393-Y395 WeakPolarHBondContact O-CD2 3.45Å; E393-Y395 PolarHBondContact O-N 3.27Å; Y395-P419 PolarHBondContact N-O 3.48Å; Y395-P419 VanDerWaalsContact N-O 3.15Å; Y395-P606 WeakPolarHBondContact O-CA 2.95Å; Y395-P606 VanDerWaalsContact O-CB 3.3Å; Y395-P606 WeakPolarHBondContact O-CB 3.37Å
396	V	91.7	Very high	91	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.			trans	-137.7	134.8	-179	54.5	0	0	0	0	110.9	P419 W423 Q605 P606 V608	V396-P419 HydrophobicContact CG1-CB 3.6Å; V396-W423 HydrophobicContact CG1-CE3 4.15Å; V396-W423 HydrophobicContact CG2-CB 4.13Å; V396-W423 HydrophobicContact CG2-CE3 4.27Å; V396-W423 VanDerWaalsContact O-CZ3 3.26Å; V396-W423 WeakPolarHBondContact O-CZ3 3.49Å; V396-Q605 VanDerWaalsContact CG2-O 3.26Å; V396-Q605 WeakPolarHBondContact CG2-O 3.46Å; V396-P606 WeakPolarHBondContact CA-O 3.31Å; V396-V608 HydrophobicContact CG2-CG1 3.71Å; V396-V608 HydrophobicContact CG2-CG2 4.28Å
397	R	94.8	Very high	91.1	Very high	12 Å²	12	28.3 Å²	28.3	5%	0.045	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.8	178.7	-69.5	-175.1	174.2	167.4	0.9	112	W383 E394 Y408 P606 T607 V608	W383-R397 HydrophobicContact CD2-CG 4.42Å; W383-R397 HydrophobicContact CH2-CG 4.34Å; W383-R397 HydrophobicContact CZ2-CG 3.83Å; E394-R397 VanDerWaalsContact CD-NH2 3.31Å; E394-R397 IonicContact OE1-CZ 3.96Å; E394-R397 IonicContact OE1-NE 3.27Å; E394-R397 PolarHBondContact OE1-NE 3.3Å; E394-R397 IonicContact OE1-NH2 2.86Å; E394-R397 PolarHBondContact OE1-NH2 3.1Å; E394-R397 VanDerWaalsContact OE1-NH2 3.13Å; E394-R397 IonicContact OE2-CZ 3.8Å; E394-R397 IonicContact OE2-NE 3.93Å; E394-R397 IonicContact OE2-NH2 2.99Å; E394-R397 PolarHBondContact OE2-NH2 2.86Å; R397-Y408 HydrophobicContact CG-CE1 3.95Å; R397-Y408 HydrophobicContact CG-CE2 4.48Å; R397-Y408 VanDerWaalsContact NE-CE1 3.29Å; R397-P606 PolarHBondContact N-O 3.38Å; R397-T607 WeakPolarHBondContact O-CA 3.47Å; R397-V608 PolarHBondContact O-N 2.8Å
398	P	95.9	Very high	91.2	Very high	5 Å²	5	27 Å²	27	3%	0.032	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	141	164.8	-17	32.4	0	0	0	110.7	F400 W401 W423 F431 V608	P398-F400 HydrophobicContact CB-CD2 3.63Å; P398-F400 HydrophobicContact CB-CE2 3.87Å; P398-F400 PolarHBondContact O-N 3.37Å; P398-W401 HydrophobicContact CB-CE3 4.3Å; P398-W401 HydrophobicContact CB-CZ3 4.07Å; P398-W401 HydrophobicContact CG-CZ3 4.21Å; P398-W423 HydrophobicContact CG-CH2 3.83Å; P398-W423 HydrophobicContact CG-CZ2 3.71Å; P398-W423 HydrophobicContact CG-CZ3 4.27Å; P398-F431 HydrophobicContact CG-CZ 4.45Å; P398-V608 CarbonylContact C-O 3.47Å; P398-V608 VanDerWaalsContact CA-O 3.32Å; P398-V608 WeakPolarHBondContact CA-O 3.5Å
399	I	97.5	Very high	91.2	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.041	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-65.1	-21.3	-176.6	-163.5	164.4	0	0	0	114	W401 A402 N517 Q519 Y546 V593 T607 V608 V609	I399-W401 VanDerWaalsContact C-N 3.28Å; I399-W401 PolarHBondContact O-N 3.17Å; I399-A402 VanDerWaalsContact O-CB 3.25Å; I399-A402 WeakPolarHBondContact O-CB 3.44Å; I399-A402 PolarHBondContact O-N 3.06Å; I399-N517 PolarHBondContact O-ND2 3.1Å; I399-N517 VanDerWaalsContact O-ND2 3.08Å; I399-Q519 HydrophobicContact CD1-CG 4.04Å; I399-Y546 HydrophobicContact CD1-CD1 3.73Å; I399-Y546 HydrophobicContact CD1-CE1 4.11Å; I399-Y546 HydrophobicContact CD1-CG 3.97Å; I399-Y546 HydrophobicContact CG1-CD1 4.46Å; I399-Y546 HydrophobicContact CG1-CE1 4.38Å; I399-Y546 HydrophobicContact CG2-CD1 4.5Å; I399-Y546 HydrophobicContact CG2-CE1 3.9Å; I399-Y546 HydrophobicContact CG2-CE2 3.88Å; I399-V593 HydrophobicContact CD1-CG2 4.17Å; I399-T607 HydrophobicContact CB-CG2 3.55Å; I399-T607 HydrophobicContact CD1-CG2 3.91Å; I399-T607 HydrophobicContact CG1-CG2 3.7Å; I399-V608 PolarHBondContact N-O 3.05Å; I399-V609 HydrophobicContact CG2-CG2 3.82Å
400	F	97	Very high	91.2	Very high	5 Å²	5	26.5 Å²	26.5	2%	0.022	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-60.2	-33.1	-168.2	-45.5	-54.2	0	0	0	114.1	P398 Y546 V609 D610 F614 W617	P398-F400 HydrophobicContact CB-CD2 3.63Å; P398-F400 HydrophobicContact CB-CE2 3.87Å; P398-F400 PolarHBondContact O-N 3.37Å; F400-Y546 WeakPolarHBondContact CD1-OH 3.32Å; F400-Y546 WeakPolarHBondContact CE1-OH 3.43Å; F400-V609 HydrophobicContact CE1-CG1 4.21Å; F400-V609 HydrophobicContact CZ-CG1 3.99Å; F400-D610 WeakPolarHBondContact CE2-O 3.39Å; F400-F614 AromaticContact CD1-CD2 3.71Å; F400-F614 HydrophobicContact CD1-CD2 3.71Å; F400-F614 HydrophobicContact CD1-CE2 4.23Å; F400-F614 HydrophobicContact CD2-CD2 4.45Å; F400-F614 HydrophobicContact CE1-CB 4.33Å; F400-F614 AromaticContact CE1-CD2 3.45Å; F400-F614 HydrophobicContact CE1-CD2 3.45Å; F400-F614 VanDerWaalsContact CE1-CD2 3.45Å; F400-F614 HydrophobicContact CE1-CE2 4.11Å; F400-F614 HydrophobicContact CE1-CG 4.24Å; F400-F614 HydrophobicContact CE2-CB 3.81Å; F400-F614 HydrophobicContact CE2-CD2 4.23Å; F400-F614 HydrophobicContact CG-CD2 4.22Å; F400-F614 HydrophobicContact CZ-CB 3.7Å; F400-F614 AromaticContact CZ-CD2 3.73Å; F400-F614 HydrophobicContact CZ-CD2 3.73Å; F400-F614 HydrophobicContact CZ-CG 4.1Å; F400-W617 HydrophobicContact CB-CB 3.94Å; F400-W617 HydrophobicContact CB-CD2 3.85Å; F400-W617 HydrophobicContact CB-CG 3.51Å; F400-W617 HydrophobicContact CD2-CB 4.3Å; F400-W617 HydrophobicContact CG-CB 4.25Å; F400-W617 AromaticContact CG-CD1 3.95Å; F400-W617 HydrophobicContact CG-CG 4.11Å
401	W	95.8	Very high	91.3	Very high	7 Å²	7	21 Å²	21	3%	0.027	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-95.7	20.2	178.5	-66.9	-88.2	0	0	0	113.9	P398 I399 S403 R404 Y408 F431 W617 E620	P398-W401 HydrophobicContact CB-CE3 4.3Å; P398-W401 HydrophobicContact CB-CZ3 4.07Å; P398-W401 HydrophobicContact CG-CZ3 4.21Å; I399-W401 VanDerWaalsContact C-N 3.28Å; I399-W401 PolarHBondContact O-N 3.17Å; W401-S403 VanDerWaalsContact C-N 3.27Å; W401-S403 PolarHBondContact O-N 2.93Å; W401-R404 CarbonylContact O-C 3.5Å; W401-R404 PolarHBondContact O-N 3.05Å; W401-Y408 HydrophobicContact CB-CD2 4.29Å; W401-Y408 HydrophobicContact CB-CG 4.37Å; W401-Y408 HydrophobicContact CD2-CD2 4Å; W401-Y408 AromaticContact CE3-CD2 3.78Å; W401-Y408 HydrophobicContact CE3-CD2 3.78Å; W401-Y408 HydrophobicContact CE3-CE2 4.4Å; W401-Y408 HydrophobicContact CG-CD2 4.23Å; W401-Y408 HydrophobicContact CZ3-CD2 4.44Å; W401-F431 HydrophobicContact CH2-CD1 4.39Å; W401-F431 HydrophobicContact CH2-CE1 4.11Å; W401-F431 HydrophobicContact CH2-CZ 4.28Å; W401-F431 HydrophobicContact CZ3-CE1 4.16Å; W401-F431 HydrophobicContact CZ3-CZ 4.22Å; W401-W617 AromaticContact CD1-CE3 3.86Å; W401-W617 AromaticContact CD1-CZ3 3.85Å; W401-W617 HydrophobicContact CD2-CE3 4.25Å; W401-W617 AromaticContact CE2-CE3 3.68Å; W401-W617 HydrophobicContact CG-CE3 4.35Å; W401-W617 HydrophobicContact CH2-CB 3.67Å; W401-W617 HydrophobicContact CZ2-CB 3.64Å; W401-W617 HydrophobicContact CZ2-CE3 4.11Å; W401-W617 HydrophobicContact CZ2-CG 4.48Å; W401-W617 HydrophobicContact CZ3-CB 4.32Å; W401-W617 AromaticContact NE1-CE3 3.41Å; W401-W617 AromaticContact NE1-CZ3 3.79Å; W401-E620 PolarHBondContact NE1-OE2 3.23Å
402	A	94	Very high	91.3	Very high	60 Å²	60	20.9 Å²	20.9	50%	0.496	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-42.2	-179.5	0	0	0	0	0	112.7	I399	I399-A402 VanDerWaalsContact O-CB 3.25Å; I399-A402 WeakPolarHBondContact O-CB 3.44Å; I399-A402 PolarHBondContact O-N 3.06Å
403	S	91.9	Very high	91.4	Very high	46 Å²	46	22.8 Å²	22.8	32%	0.322	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.8	175.7	-58.1	0	0	0	0	114.2	W401 P405 W489 N490	W401-S403 VanDerWaalsContact C-N 3.27Å; W401-S403 PolarHBondContact O-N 2.93Å; S403-P405 VanDerWaalsContact C-CD 3.4Å; S403-W489 WeakPolarHBondContact CB-O 3.36Å; S403-N490 WeakPolarHBondContact CB-ND2 3.3Å; S403-N490 PolarHBondContact OG-ND2 3.22Å
404	R	92.2	Very high	91.4	Very high	18 Å²	18	25.6 Å²	25.6	7%	0.068	14%	0.139	C	C	.	.			trans	-131.3	52.5	-178.6	-58.8	-170.7	65.9	71.4	4.3	112.3	W401 K406 S407 Y408 D491 E620	W401-R404 CarbonylContact O-C 3.5Å; W401-R404 PolarHBondContact O-N 3.05Å; R404-K406 PolarHBondContact O-N 3.24Å; R404-K406 VanDerWaalsContact O-N 3.17Å; R404-S407 WeakPolarHBondContact O-CB 3.45Å; R404-S407 PolarHBondContact O-N 3.49Å; R404-Y408 PolarHBondContact O-N 3.13Å; R404-D491 IonicContact NH1-OD2 3.07Å; R404-E620 IonicContact CZ-OE1 2.64Å; R404-E620 IonicContact NE-OE1 3.06Å; R404-E620 PolarHBondContact NE-OE1 3.43Å; R404-E620 IonicContact NH2-OE1 2.72Å
405	P	90.9	Very high	91.2	Very high	46 Å²	46	26.2 Å²	26.2	30%	0.299	14%	0.142	S	C	.	.	H	α-helix	trans	-61.5	-30.8	-175	25.6	-35.2	0	0	0	112.7	S403 Y408 I409	S403-P405 VanDerWaalsContact C-CD 3.4Å; P405-Y408 PolarHBondContact O-N 3.06Å; P405-I409 WeakPolarHBondContact O-CG1 3.13Å; P405-I409 PolarHBondContact O-N 2.91Å
406	K	87.6	Confident	90.9	Very high	39 Å²	39	32.5 Å²	32.5	17%	0.17	18%	0.176	C	C	.	.	H	α-helix	trans	-66.3	-39.4	177.5	-59.8	179.7	-179.5	162.7	0	111.8	D115 Y153 R404 I409 Y410 Y441 L442	D115-K406 IonicContact OD2-NZ 3.04Å; D115-K406 PolarHBondContact OD2-NZ 3.09Å; Y153-K406 HydrophobicContact CD1-CB 3.83Å; Y153-K406 HydrophobicContact CD1-CG 3.93Å; Y153-K406 HydrophobicContact CE1-CB 4.24Å; Y153-K406 WeakPolarHBondContact CE1-O 3.32Å; Y153-K406 HydrophobicContact CG-CG 4.3Å; R404-K406 PolarHBondContact O-N 3.24Å; R404-K406 VanDerWaalsContact O-N 3.17Å; K406-I409 PolarHBondContact O-N 3.06Å; K406-Y410 PolarHBondContact O-N 3.39Å; K406-Y410 VanDerWaalsContact O-N 3.09Å; K406-Y441 VanDerWaalsContact CD-O 3.3Å; K406-Y441 WeakPolarHBondContact CD-O 3.23Å; K406-L442 HydrophobicContact CB-CD2 3.51Å
407	S	90.1	Very high	90.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-46.2	174.1	-178.9	0	0	0	0	110.9	R404 I409 Y410 R411 E620	R404-S407 WeakPolarHBondContact O-CB 3.45Å; R404-S407 PolarHBondContact O-N 3.49Å; S407-I409 VanDerWaalsContact C-N 3.33Å; S407-I409 PolarHBondContact O-N 3.36Å; S407-Y410 PolarHBondContact O-N 3.18Å; S407-R411 VanDerWaalsContact O-CG 3.31Å; S407-R411 WeakPolarHBondContact O-CG 3.3Å; S407-R411 PolarHBondContact O-N 3.09Å; S407-E620 VanDerWaalsContact CB-OE1 3.25Å; S407-E620 WeakPolarHBondContact CB-OE1 3.26Å; S407-E620 PolarHBondContact OG-OE1 3.08Å; S407-E620 PolarHBondContact OG-OE2 3.27Å
408	Y	92.3	Very high	89.9	Confident	1 Å²	1	39 Å²	39	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-56.2	-46.2	176.9	178.2	-89.7	0	0	0	112.7	E394 R397 W401 R404 P405 R411 T412 F431	E394-Y408 WeakPolarHBondContact OE1-CE1 3.27Å; E394-Y408 PolarHBondContact OE1-OH 3.27Å; R397-Y408 HydrophobicContact CG-CE1 3.95Å; R397-Y408 HydrophobicContact CG-CE2 4.48Å; R397-Y408 VanDerWaalsContact NE-CE1 3.29Å; W401-Y408 HydrophobicContact CB-CD2 4.29Å; W401-Y408 HydrophobicContact CB-CG 4.37Å; W401-Y408 HydrophobicContact CD2-CD2 4Å; W401-Y408 AromaticContact CE3-CD2 3.78Å; W401-Y408 HydrophobicContact CE3-CD2 3.78Å; W401-Y408 HydrophobicContact CE3-CE2 4.4Å; W401-Y408 HydrophobicContact CG-CD2 4.23Å; W401-Y408 HydrophobicContact CZ3-CD2 4.44Å; R404-Y408 PolarHBondContact O-N 3.13Å; P405-Y408 PolarHBondContact O-N 3.06Å; Y408-R411 PolarHBondContact O-N 3.33Å; Y408-T412 HydrophobicContact CD2-CG2 4.47Å; Y408-T412 HydrophobicContact CE1-CG2 4.25Å; Y408-T412 HydrophobicContact CE2-CG2 4.08Å; Y408-T412 WeakPolarHBondContact O-CG2 3.31Å; Y408-T412 PolarHBondContact O-N 3.38Å; Y408-T412 VanDerWaalsContact O-N 3.1Å; Y408-T412 PolarHBondContact O-OG1 2.97Å; Y408-F431 HydrophobicContact CD2-CE1 4.29Å; Y408-F431 AromaticContact CE2-CE1 3.89Å; Y408-F431 HydrophobicContact CE2-CE1 3.89Å; Y408-F431 HydrophobicContact CE2-CZ 4.48Å
409	I	91	Very high	89.2	Confident	8 Å²	8	40 Å²	40	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-43.9	-179.7	-68.7	175.1	0	0	0	110.8	N152 Y153 R391 P405 K406 S407 R411 T412 Q413	N152-I409 WeakPolarHBondContact O-CD1 3.47Å; Y153-I409 HydrophobicContact CD1-CB 4.08Å; Y153-I409 HydrophobicContact CD1-CD1 4.37Å; Y153-I409 HydrophobicContact CD1-CG2 4Å; Y153-I409 HydrophobicContact CE1-CB 3.87Å; Y153-I409 HydrophobicContact CE1-CG2 3.71Å; R391-I409 PolarHBondContact NH2-O 3.21Å; P405-I409 WeakPolarHBondContact O-CG1 3.13Å; P405-I409 PolarHBondContact O-N 2.91Å; K406-I409 PolarHBondContact O-N 3.06Å; S407-I409 VanDerWaalsContact C-N 3.33Å; S407-I409 PolarHBondContact O-N 3.36Å; I409-R411 PolarHBondContact O-N 2.75Å; I409-T412 PolarHBondContact O-N 2.87Å; I409-Q413 PolarHBondContact O-N 2.81Å
410	Y	88.7	Confident	88.4	Confident	42 Å²	42	42 Å²	42	17%	0.165	22%	0.224	C	C	.	.	H	α-helix	trans	-58.7	-48.4	175.6	177.3	-94.7	0	0	0	111.6	K406 S407 T412 Q413 L434 L439	K406-Y410 PolarHBondContact O-N 3.39Å; K406-Y410 VanDerWaalsContact O-N 3.09Å; S407-Y410 PolarHBondContact O-N 3.18Å; Y410-T412 PolarHBondContact O-N 2.82Å; Y410-Q413 WeakPolarHBondContact O-CG 3.25Å; Y410-Q413 PolarHBondContact O-N 3.48Å; Y410-Q413 PolarHBondContact O-NE2 3Å; Y410-L434 HydrophobicContact CD1-CD1 3.62Å; Y410-L434 HydrophobicContact CE1-CD1 3.61Å; Y410-L439 HydrophobicContact CD2-CD1 3.82Å; Y410-L439 HydrophobicContact CE1-CD1 4.33Å; Y410-L439 HydrophobicContact CE2-CD1 3.43Å; Y410-L439 VanDerWaalsContact CE2-CD1 3.43Å; Y410-L439 HydrophobicContact CG-CD1 4.39Å
411	R	88.6	Confident	87.6	Confident	13 Å²	13	42.8 Å²	42.8	5%	0.049	23%	0.233	C	C	.	.	H	α-helix	trans	-69.7	-16.9	-177.2	-65.4	-174.8	73.7	-179.4	2.1	114.4	S407 Y408 I409 F431 G432 F616 E620	S407-R411 VanDerWaalsContact O-CG 3.31Å; S407-R411 WeakPolarHBondContact O-CG 3.3Å; S407-R411 PolarHBondContact O-N 3.09Å; Y408-R411 PolarHBondContact O-N 3.33Å; I409-R411 PolarHBondContact O-N 2.75Å; R411-F431 HydrophobicContact CB-CD1 4.38Å; R411-G432 PolarHBondContact NE-O 3.19Å; R411-G432 PolarHBondContact NH2-O 2.82Å; R411-G432 PolarHBondContact O-N 2.84Å; R411-F616 PolarHBondContact NH1-O 3.39Å; R411-F616 PolarHBondContact NH2-O 2.95Å; R411-E620 IonicContact NH1-OE2 2.75Å
412	T	89.8	Confident	86.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	8	-179.4	57.4	0	0	0	0	112.5	R391 Y408 I409 Y410 D414 W415 F418 F431	R391-T412 PolarHBondContact NH1-OG1 2.82Å; R391-T412 VanDerWaalsContact NH1-OG1 3.14Å; R391-T412 PolarHBondContact NH2-O 2.82Å; R391-T412 PolarHBondContact NH2-OG1 2.85Å; Y408-T412 HydrophobicContact CD2-CG2 4.47Å; Y408-T412 HydrophobicContact CE1-CG2 4.25Å; Y408-T412 HydrophobicContact CE2-CG2 4.08Å; Y408-T412 WeakPolarHBondContact O-CG2 3.31Å; Y408-T412 PolarHBondContact O-N 3.38Å; Y408-T412 VanDerWaalsContact O-N 3.1Å; Y408-T412 PolarHBondContact O-OG1 2.97Å; I409-T412 PolarHBondContact O-N 2.87Å; Y410-T412 PolarHBondContact O-N 2.82Å; T412-D414 VanDerWaalsContact C-N 3.25Å; T412-D414 PolarHBondContact O-N 3.38Å; T412-W415 HydrophobicContact CG2-CD2 4.03Å; T412-W415 HydrophobicContact CG2-CE3 4.19Å; T412-W415 HydrophobicContact CG2-CH2 3.88Å; T412-W415 HydrophobicContact CG2-CZ2 3.69Å; T412-W415 HydrophobicContact CG2-CZ3 4.12Å; T412-W415 WeakPolarHBondContact O-CB 3.3Å; T412-W415 PolarHBondContact O-N 3.42Å; T412-F418 WeakPolarHBondContact O-CE1 3.39Å; T412-F418 WeakPolarHBondContact O-CZ 3.24Å; T412-F431 HydrophobicContact CG2-CD1 3.67Å; T412-F431 HydrophobicContact CG2-CE1 3.58Å
413	Q	86.4	Confident	86.1	Confident	87 Å²	87	50.1 Å²	50.1	41%	0.407	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.7	-174.3	72.9	-168.2	-32.7	0	0	113.6	I409 Y410 W415	I409-Q413 PolarHBondContact O-N 2.81Å; Y410-Q413 WeakPolarHBondContact O-CG 3.25Å; Y410-Q413 PolarHBondContact O-N 3.48Å; Y410-Q413 PolarHBondContact O-NE2 3Å; Q413-W415 VanDerWaalsContact C-N 3.28Å; Q413-W415 PolarHBondContact O-N 2.99Å
414	D	85.4	Confident	84.9	Confident	129 Å²	129	50 Å²	50	69%	0.69	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	4.7	-178.7	-59.1	-46.6	0	0	0	113	T412	T412-D414 VanDerWaalsContact C-N 3.25Å; T412-D414 PolarHBondContact O-N 3.38Å
415	W	85.8	Confident	83.3	Confident	14 Å²	14	55.1 Å²	55.1	5%	0.053	28%	0.283	C	S	.	.			trans	-72.9	137.5	175.4	-70	8.6	0	0	0	111.2	T412 Q413 F418 P419 W423 P429 A430 F431	T412-W415 HydrophobicContact CG2-CD2 4.03Å; T412-W415 HydrophobicContact CG2-CE3 4.19Å; T412-W415 HydrophobicContact CG2-CH2 3.88Å; T412-W415 HydrophobicContact CG2-CZ2 3.69Å; T412-W415 HydrophobicContact CG2-CZ3 4.12Å; T412-W415 WeakPolarHBondContact O-CB 3.3Å; T412-W415 PolarHBondContact O-N 3.42Å; Q413-W415 VanDerWaalsContact C-N 3.28Å; Q413-W415 PolarHBondContact O-N 2.99Å; W415-F418 HydrophobicContact CB-CE1 3.89Å; W415-F418 HydrophobicContact CB-CE2 4.48Å; W415-F418 HydrophobicContact CB-CZ 3.86Å; W415-F418 HydrophobicContact CE3-CD1 4.04Å; W415-F418 HydrophobicContact CE3-CE1 4.13Å; W415-F418 HydrophobicContact CG-CE1 4.49Å; W415-P419 HydrophobicContact CZ3-CG 4.33Å; W415-W423 AromaticContact CH2-CH2 3.79Å; W415-W423 HydrophobicContact CH2-CH2 3.79Å; W415-W423 HydrophobicContact CH2-CZ2 4.11Å; W415-W423 AromaticContact CZ3-CH2 3.94Å; W415-W423 HydrophobicContact CZ3-CH2 3.94Å; W415-P429 HydrophobicContact CD2-CG 4.03Å; W415-P429 HydrophobicContact CG-CB 4.35Å; W415-P429 HydrophobicContact CG-CG 3.97Å; W415-A430 PolarHBondContact NE1-O 3.07Å; W415-F431 HydrophobicContact CH2-CE1 4.08Å; W415-F431 HydrophobicContact CH2-CE2 4.35Å; W415-F431 AromaticContact CH2-CZ 3.91Å; W415-F431 HydrophobicContact CH2-CZ 3.91Å; W415-F431 HydrophobicContact CZ2-CD1 4.13Å; W415-F431 HydrophobicContact CZ2-CD2 4.33Å; W415-F431 AromaticContact CZ2-CE1 4Å; W415-F431 HydrophobicContact CZ2-CE1 4Å; W415-F431 HydrophobicContact CZ2-CE2 4.2Å; W415-F431 HydrophobicContact CZ2-CG 4.3Å; W415-F431 HydrophobicContact CZ2-CZ 4.03Å
416	D	81.9	Confident	81.7	Confident	142 Å²	142	53.6 Å²	53.6	76%	0.759	27%	0.274	S	S	*	.	S	Bend	trans	-78.8	-42.6	177	-70.5	-42.3	0	0	0	112.3
417	E	79.9	Confident	80.1	Confident	129 Å²	129	55.2 Å²	55.2	60%	0.603	29%	0.289	S	S	*	.	S	Bend	trans	-122.1	145	177.8	-67	-172.2	174.7	0	0	110.4	R65	R65-E417 IonicContact CZ-OE2 3.71Å; R65-E417 IonicContact NH1-OE1 3.87Å; R65-E417 IonicContact NH1-OE2 2.82Å; R65-E417 PolarHBondContact NH1-OE2 2.96Å; R65-E417 IonicContact NH2-OE2 3.46Å
418	F	85	Confident	78.2	Confident	20 Å²	20	59.8 Å²	59.8	9%	0.088	32%	0.322	C	S	.	.			trans	-112	144.3	177.7	-67.4	-84.8	0	0	0	111.2	K390 R391 E394 T412 W415 N420	K390-F418 HydrophobicContact CB-CE2 4.16Å; K390-F418 VanDerWaalsContact O-CD2 3.28Å; K390-F418 WeakPolarHBondContact O-CD2 3.39Å; R391-F418 HydrophobicContact CB-CD2 4.48Å; R391-F418 HydrophobicContact CG-CD1 4.19Å; R391-F418 HydrophobicContact CG-CD2 3.85Å; R391-F418 HydrophobicContact CG-CE1 3.96Å; R391-F418 HydrophobicContact CG-CE2 3.57Å; R391-F418 HydrophobicContact CG-CG 4.15Å; R391-F418 HydrophobicContact CG-CZ 3.63Å; E394-F418 HydrophobicContact CB-CB 3.9Å; E394-F418 HydrophobicContact CB-CG 4.46Å; E394-F418 HydrophobicContact CG-CB 4.17Å; T412-F418 WeakPolarHBondContact O-CE1 3.39Å; T412-F418 WeakPolarHBondContact O-CZ 3.24Å; W415-F418 HydrophobicContact CB-CE1 3.89Å; W415-F418 HydrophobicContact CB-CE2 4.48Å; W415-F418 HydrophobicContact CB-CZ 3.86Å; W415-F418 HydrophobicContact CE3-CD1 4.04Å; W415-F418 HydrophobicContact CE3-CE1 4.13Å; W415-F418 HydrophobicContact CG-CE1 4.49Å; F418-N420 PolarHBondContact O-N 3.45Å
419	P	80.5	Confident	76.5	Confident	24 Å²	24	62.4 Å²	62.4	16%	0.156	34%	0.339	C	S	.	.			trans	-61	126.7	-178.2	-31.2	41.9	0	0	0	114.4	Y395 V396 W415 W423	Y395-P419 PolarHBondContact N-O 3.48Å; Y395-P419 VanDerWaalsContact N-O 3.15Å; V396-P419 HydrophobicContact CG1-CB 3.6Å; W415-P419 HydrophobicContact CZ3-CG 4.33Å; P419-W423 HydrophobicContact CB-CE3 3.76Å; P419-W423 HydrophobicContact CB-CZ3 3.97Å; P419-W423 HydrophobicContact CG-CD2 4.35Å; P419-W423 HydrophobicContact CG-CE3 3.69Å; P419-W423 HydrophobicContact CG-CH2 4.04Å; P419-W423 HydrophobicContact CG-CZ3 3.51Å
420	N	80.9	Confident	75.1	Confident	51 Å²	51	65.4 Å²	65.4	27%	0.273	37%	0.365	S	S	.	.			trans	-118.6	128.8	175.4	-173.9	-15.3	0	0	0	109.7	T68 E393 F418 R422	T68-N420 PolarHBondContact OG1-OD1 3.28Å; E393-N420 HydrophobicContact CB-CB 4.41Å; E393-N420 WeakPolarHBondContact O-CB 3.36Å; E393-N420 PolarHBondContact OE2-ND2 3.35Å; F418-N420 PolarHBondContact O-N 3.45Å; N420-R422 PolarHBondContact O-N 3.34Å
421	G	80.1	Confident	74.2	Confident	22 Å²	22	63.9 Å²	63.9	23%	0.227	36%	0.359	C	S	.	.	S	Bend	trans	75.1	-85.1	179.8	0	0	0	0	0	113	Q605	G421-Q605 WeakPolarHBondContact O-CG 3.42Å; G421-Q605 PolarHBondContact O-NE2 3.36Å; G421-Q605 VanDerWaalsContact O-NE2 3.12Å
422	R	81.4	Confident	73.1	Confident	204 Å²	204	64.6 Å²	64.6	77%	0.77	37%	0.371	S	S	*	.	S	Bend	trans	-100.3	139.4	177.7	-59.3	-164	176.1	-176.4	-0.5	111.4	N420 G424	N420-R422 PolarHBondContact O-N 3.34Å; R422-G424 PolarHBondContact O-N 3.43Å; R422-G424 VanDerWaalsContact O-N 3.07Å
423	W	77.5	Confident	72.2	Confident	17 Å²	17	71 Å²	71	6%	0.064	40%	0.401	C	S	.	.			trans	-65.9	110.4	166.4	-166.5	-94.9	0	0	0	107.6	V396 P398 W415 P419 F431 P590 V608 D610	V396-W423 HydrophobicContact CG1-CE3 4.15Å; V396-W423 HydrophobicContact CG2-CB 4.13Å; V396-W423 HydrophobicContact CG2-CE3 4.27Å; V396-W423 VanDerWaalsContact O-CZ3 3.26Å; V396-W423 WeakPolarHBondContact O-CZ3 3.49Å; P398-W423 HydrophobicContact CG-CH2 3.83Å; P398-W423 HydrophobicContact CG-CZ2 3.71Å; P398-W423 HydrophobicContact CG-CZ3 4.27Å; W415-W423 AromaticContact CH2-CH2 3.79Å; W415-W423 HydrophobicContact CH2-CH2 3.79Å; W415-W423 HydrophobicContact CH2-CZ2 4.11Å; W415-W423 AromaticContact CZ3-CH2 3.94Å; W415-W423 HydrophobicContact CZ3-CH2 3.94Å; P419-W423 HydrophobicContact CB-CE3 3.76Å; P419-W423 HydrophobicContact CB-CZ3 3.97Å; P419-W423 HydrophobicContact CG-CD2 4.35Å; P419-W423 HydrophobicContact CG-CE3 3.69Å; P419-W423 HydrophobicContact CG-CH2 4.04Å; P419-W423 HydrophobicContact CG-CZ3 3.51Å; W423-F431 HydrophobicContact CH2-CZ 4.39Å; W423-F431 HydrophobicContact CZ2-CZ 4.16Å; W423-P590 HydrophobicContact CB-CB 4.42Å; W423-P590 HydrophobicContact CB-CG 4.36Å; W423-P590 HydrophobicContact CG-CG 4.32Å; W423-V608 HydrophobicContact CB-CG1 4.12Å; W423-V608 HydrophobicContact CB-CG2 3.86Å; W423-V608 HydrophobicContact CD2-CG2 4.17Å; W423-V608 HydrophobicContact CG-CG2 3.86Å; W423-D610 PolarHBondContact NE1-OD2 2.94Å
424	G	67.3	Low	71.3	Confident	44 Å²	44	67.5 Å²	67.5	45%	0.454	39%	0.385	S	S	.	.			trans	-73.3	-173.1	-178.8	0	0	0	0	0	112.1	R422 S426	R422-G424 PolarHBondContact O-N 3.43Å; R422-G424 VanDerWaalsContact O-N 3.07Å; G424-S426 PolarHBondContact O-N 2.68Å
425	N	57.5	Low	70.1	Confident	125 Å²	125	68.5 Å²	68.5	67%	0.668	38%	0.383	S	S	*	.			trans	-64	106.9	173.6	-164.2	-1.2	0	0	0	109	S427	N425-S427 PolarHBondContact ND2-OG 3.04Å; N425-S427 PolarHBondContact O-N 3.18Å; N425-S427 PolarHBondContact OD1-OG 2.86Å
426	S	57.3	Low	68.9	Low	14 Å²	14	72.1 Å²	72.1	10%	0.098	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	10.3	-177.5	35.5	0	0	0	0	113.6	G424 S428 D610	G424-S426 PolarHBondContact O-N 2.68Å; S426-S428 VanDerWaalsContact C-N 3.27Å; S426-S428 PolarHBondContact O-N 3.05Å; S426-D610 WeakPolarHBondContact CB-OD2 3.43Å; S426-D610 PolarHBondContact OG-OD2 2.87Å
427	S	54.6	Low	67.8	Low	72 Å²	72	67.9 Å²	67.9	50%	0.503	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-3.2	178.1	58.9	0	0	0	0	115.3	N425	N425-S427 PolarHBondContact ND2-OG 3.04Å; N425-S427 PolarHBondContact O-N 3.18Å; N425-S427 PolarHBondContact OD1-OG 2.86Å
428	S	49.4	Very low	66.6	Low	98 Å²	98	68.2 Å²	68.2	69%	0.685	37%	0.374	S	S	*	.	S	Bend	trans	-140	18.9	-161.5	-60.9	0	0	0	0	116.9	S426	S426-S428 VanDerWaalsContact C-N 3.27Å; S426-S428 PolarHBondContact O-N 3.05Å
429	P	56.5	Low	65.6	Low	55 Å²	55	68.9 Å²	68.9	36%	0.357	38%	0.378	S	S	.	.	S	Bend		-139.1	143.2	109.2	14.3	7.1	0	0	0	113.2	W415	W415-P429 HydrophobicContact CD2-CG 4.03Å; W415-P429 HydrophobicContact CG-CB 4.35Å; W415-P429 HydrophobicContact CG-CG 3.97Å
430	A	62	Low	64.8	Low	72 Å²	72	68.7 Å²	68.7	60%	0.595	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-66.6	144.8	175	0	0	0	0	0	110.8	W415 F616	W415-A430 PolarHBondContact NE1-O 3.07Å; A430-F616 HydrophobicContact CB-CZ 4.44Å
431	F	69.4	Low	64	Low	9 Å²	9	68.3 Å²	68.3	4%	0.039	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-62.5	136.1	165.6	-73.2	-92.2	0	0	0	109.1	P398 W401 Y408 R411 T412 W415 W423 S613 F616	P398-F431 HydrophobicContact CG-CZ 4.45Å; W401-F431 HydrophobicContact CH2-CD1 4.39Å; W401-F431 HydrophobicContact CH2-CE1 4.11Å; W401-F431 HydrophobicContact CH2-CZ 4.28Å; W401-F431 HydrophobicContact CZ3-CE1 4.16Å; W401-F431 HydrophobicContact CZ3-CZ 4.22Å; Y408-F431 HydrophobicContact CD2-CE1 4.29Å; Y408-F431 AromaticContact CE2-CE1 3.89Å; Y408-F431 HydrophobicContact CE2-CE1 3.89Å; Y408-F431 HydrophobicContact CE2-CZ 4.48Å; R411-F431 HydrophobicContact CB-CD1 4.38Å; T412-F431 HydrophobicContact CG2-CD1 3.67Å; T412-F431 HydrophobicContact CG2-CE1 3.58Å; W415-F431 HydrophobicContact CH2-CE1 4.08Å; W415-F431 HydrophobicContact CH2-CE2 4.35Å; W415-F431 AromaticContact CH2-CZ 3.91Å; W415-F431 HydrophobicContact CH2-CZ 3.91Å; W415-F431 HydrophobicContact CZ2-CD1 4.13Å; W415-F431 HydrophobicContact CZ2-CD2 4.33Å; W415-F431 AromaticContact CZ2-CE1 4Å; W415-F431 HydrophobicContact CZ2-CE1 4Å; W415-F431 HydrophobicContact CZ2-CE2 4.2Å; W415-F431 HydrophobicContact CZ2-CG 4.3Å; W415-F431 HydrophobicContact CZ2-CZ 4.03Å; W423-F431 HydrophobicContact CH2-CZ 4.39Å; W423-F431 HydrophobicContact CZ2-CZ 4.16Å; F431-S613 WeakPolarHBondContact CE2-OG 3.45Å; F431-F616 HydrophobicContact CB-CB 4.13Å; F431-F616 HydrophobicContact CB-CD1 3.92Å; F431-F616 HydrophobicContact CB-CE1 4.46Å; F431-F616 HydrophobicContact CB-CG 3.96Å; F431-F616 HydrophobicContact CD2-CB 4.05Å; F431-F616 HydrophobicContact CD2-CD1 4.5Å; F431-F616 AromaticContact CD2-CD2 3.65Å; F431-F616 HydrophobicContact CD2-CD2 3.65Å; F431-F616 HydrophobicContact CD2-CE2 4.2Å; F431-F616 AromaticContact CD2-CG 3.83Å; F431-F616 HydrophobicContact CD2-CG 3.83Å; F431-F616 HydrophobicContact CE2-CD2 4.36Å; F431-F616 HydrophobicContact CG-CB 4.23Å; F431-F616 HydrophobicContact CG-CD2 4.49Å; F431-F616 HydrophobicContact CG-CG 4.23Å
432	G	67.3	Low	63.5	Low	29 Å²	29	67.7 Å²	67.7	30%	0.299	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-59.6	149.3	172.8	0	0	0	0	0	111.8	R411	R411-G432 PolarHBondContact NE-O 3.19Å; R411-G432 PolarHBondContact NH2-O 2.82Å; R411-G432 PolarHBondContact O-N 2.84Å
433	E	69.8	Low	63	Low	134 Å²	134	63 Å²	63	63%	0.626	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-73.1	133.3	172.7	-67.6	-179.6	163.8	0	0	110	K435	E433-K435 HydrophobicContact CB-CG 4.38Å; E433-K435 PolarHBondContact O-N 3.49Å; E433-K435 WeakPolarHBondContact OE2-CE 3.28Å; E433-K435 IonicContact OE2-NZ 2.87Å; E433-K435 PolarHBondContact OE2-NZ 3.46Å
434	L	68.5	Low	62.7	Low	14 Å²	14	63.2 Å²	63.2	7%	0.073	35%	0.351	C	S	.	.			trans	-91.8	94.3	170.9	-175.4	65.7	0	0	0	108.7	Y410 Y437 L442 E620	Y410-L434 HydrophobicContact CD1-CD1 3.62Å; Y410-L434 HydrophobicContact CE1-CD1 3.61Å; L434-Y437 HydrophobicContact CD2-CD1 3.89Å; L434-Y437 HydrophobicContact CD2-CE1 3.61Å; L434-Y437 HydrophobicContact CG-CD1 4.36Å; L434-Y437 HydrophobicContact CG-CE1 4.12Å; L434-Y437 VanDerWaalsContact O-CE2 3.31Å; L434-Y437 WeakPolarHBondContact O-CE2 3.19Å; L434-L442 HydrophobicContact CD1-CD1 3.7Å; L434-E620 HydrophobicContact CD2-CG 4.24Å
435	K	60.1	Low	63.1	Low	149 Å²	149	65.6 Å²	65.6	65%	0.648	35%	0.349	S	S	*	.			trans	-90.4	-32.5	177.7	-69.2	-176.8	175.6	157	0	112.9	E433	E433-K435 HydrophobicContact CB-CG 4.38Å; E433-K435 PolarHBondContact O-N 3.49Å; E433-K435 WeakPolarHBondContact OE2-CE 3.28Å; E433-K435 IonicContact OE2-NZ 2.87Å; E433-K435 PolarHBondContact OE2-NZ 3.46Å
436	D	60.7	Low	64.3	Low	91 Å²	91	60.9 Å²	60.9	49%	0.487	33%	0.325	S	S	.	.			trans	-104.2	81.1	-175.3	-70.1	-34	0	0	0	111.8	Y438 L439	D436-Y438 PolarHBondContact O-N 2.93Å; D436-Y438 VanDerWaalsContact O-N 3.09Å; D436-L439 HydrophobicContact CB-CD1 4.37Å; D436-L439 HydrophobicContact CB-CD2 4.48Å; D436-L439 HydrophobicContact CB-CG 3.97Å; D436-L439 WeakPolarHBondContact O-CG 3.4Å; D436-L439 PolarHBondContact O-N 2.8Å
437	Y	57.1	Low	65.7	Low	52 Å²	52	63.6 Å²	63.6	20%	0.204	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-10	170.9	-64.4	-87.7	0	0	0	113.2	L434 E620 A623 E627	L434-Y437 HydrophobicContact CD2-CD1 3.89Å; L434-Y437 HydrophobicContact CD2-CE1 3.61Å; L434-Y437 HydrophobicContact CG-CD1 4.36Å; L434-Y437 HydrophobicContact CG-CE1 4.12Å; L434-Y437 VanDerWaalsContact O-CE2 3.31Å; L434-Y437 WeakPolarHBondContact O-CE2 3.19Å; Y437-E620 HydrophobicContact CE1-CG 4.43Å; Y437-A623 HydrophobicContact CE1-CB 4.1Å; Y437-A623 HydrophobicContact CE2-CB 4.35Å; Y437-A623 VanDerWaalsContact OH-CB 3.27Å; Y437-A623 WeakPolarHBondContact OH-CB 3.49Å; Y437-E627 HydrophobicContact CD2-CG 4.16Å; Y437-E627 HydrophobicContact CG-CG 4.22Å
438	Y	56	Low	67.4	Low	136 Å²	136	66.8 Å²	66.8	53%	0.533	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	4.2	178.7	-57.9	-70.3	0	0	0	114.3	D436 F440 K443 K631	D436-Y438 PolarHBondContact O-N 2.93Å; D436-Y438 VanDerWaalsContact O-N 3.09Å; Y438-F440 PolarHBondContact O-N 3.29Å; Y438-K443 WeakPolarHBondContact O-CE 3.33Å; Y438-K631 PolarHBondContact OH-NZ 3.28Å
439	L	62.7	Low	69.4	Low	35 Å²	35	68.6 Å²	68.6	18%	0.183	34%	0.342	C	S	.	.			trans	-54.2	126.2	170.8	-71.3	170	0	0	0	109.1	Y410 D436 Y441 L442 K443	Y410-L439 HydrophobicContact CD2-CD1 3.82Å; Y410-L439 HydrophobicContact CE1-CD1 4.33Å; Y410-L439 HydrophobicContact CE2-CD1 3.43Å; Y410-L439 VanDerWaalsContact CE2-CD1 3.43Å; Y410-L439 HydrophobicContact CG-CD1 4.39Å; D436-L439 HydrophobicContact CB-CD1 4.37Å; D436-L439 HydrophobicContact CB-CD2 4.48Å; D436-L439 HydrophobicContact CB-CG 3.97Å; D436-L439 WeakPolarHBondContact O-CG 3.4Å; D436-L439 PolarHBondContact O-N 2.8Å; L439-Y441 HydrophobicContact CB-CD2 4.44Å; L439-Y441 HydrophobicContact CB-CE1 4.42Å; L439-Y441 HydrophobicContact CB-CE2 4.03Å; L439-Y441 HydrophobicContact CD1-CE2 4.06Å; L439-Y441 HydrophobicContact CD2-CE1 4.44Å; L439-Y441 PolarHBondContact O-N 3Å; L439-Y441 VanDerWaalsContact O-N 3.11Å; L439-L442 HydrophobicContact CB-CB 4.23Å; L439-L442 HydrophobicContact CB-CD1 4.09Å; L439-L442 HydrophobicContact CB-CG 4.08Å; L439-L442 HydrophobicContact CD1-CD1 3.84Å; L439-L442 CarbonylContact O-C 3.57Å; L439-L442 WeakPolarHBondContact O-CA 3.33Å; L439-L442 PolarHBondContact O-N 2.84Å; L439-K443 PolarHBondContact O-N 3Å
440	F	65.2	Low	71.1	Confident	19 Å²	19	70.8 Å²	70.8	8%	0.083	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.1	-168.2	73.5	-85.8	0	0	0	113.9	A107 V108 E140 Y438 L442	A107-F440 HydrophobicContact CB-CD2 4.28Å; A107-F440 HydrophobicContact CB-CE2 4.17Å; V108-F440 HydrophobicContact CG2-CD2 4.47Å; E140-F440 HydrophobicContact CB-CB 4.36Å; E140-F440 HydrophobicContact CB-CD1 3.21Å; E140-F440 HydrophobicContact CB-CD2 4.02Å; E140-F440 HydrophobicContact CB-CE1 3.26Å; E140-F440 HydrophobicContact CB-CE2 4.08Å; E140-F440 HydrophobicContact CB-CG 3.6Å; E140-F440 HydrophobicContact CB-CZ 3.71Å; E140-F440 HydrophobicContact CG-CD1 4.41Å; E140-F440 HydrophobicContact CG-CG 4.48Å; E140-F440 WeakPolarHBondContact OE2-CB 3.43Å; E140-F440 WeakPolarHBondContact OE2-CG 3.45Å; Y438-F440 PolarHBondContact O-N 3.29Å; F440-L442 VanDerWaalsContact C-N 3.35Å
441	Y	64.1	Low	72.6	Confident	43 Å²	43	67.9 Å²	67.9	17%	0.169	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.4	174.4	48.5	-98.8	0	0	0	114.1	Y153 K406 L439	Y153-Y441 HydrophobicContact CD2-CD2 4.4Å; Y153-Y441 HydrophobicContact CE1-CD2 4.36Å; Y153-Y441 HydrophobicContact CE1-CE2 4.34Å; Y153-Y441 HydrophobicContact CE2-CD1 4.45Å; Y153-Y441 AromaticContact CE2-CD2 3.84Å; Y153-Y441 HydrophobicContact CE2-CD2 3.84Å; Y153-Y441 HydrophobicContact CE2-CE1 4.42Å; Y153-Y441 AromaticContact CE2-CE2 3.8Å; Y153-Y441 HydrophobicContact CE2-CE2 3.8Å; Y153-Y441 HydrophobicContact CE2-CG 4.18Å; Y153-Y441 AromaticContact CZ-CD2 3.82Å; Y153-Y441 AromaticContact CZ-CE2 3.54Å; Y153-Y441 WeakPolarHBondContact OH-CE2 3.15Å; K406-Y441 VanDerWaalsContact CD-O 3.3Å; K406-Y441 WeakPolarHBondContact CD-O 3.23Å; L439-Y441 HydrophobicContact CB-CD2 4.44Å; L439-Y441 HydrophobicContact CB-CE1 4.42Å; L439-Y441 HydrophobicContact CB-CE2 4.03Å; L439-Y441 HydrophobicContact CD1-CE2 4.06Å; L439-Y441 HydrophobicContact CD2-CE1 4.44Å; L439-Y441 PolarHBondContact O-N 3Å; L439-Y441 VanDerWaalsContact O-N 3.11Å
442	L	68.7	Low	73.9	Confident	10 Å²	10	68.5 Å²	68.5	5%	0.052	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-10.2	175	-59	-176.3	0	0	0	113.8	K406 L434 L439 F440	K406-L442 HydrophobicContact CB-CD2 3.51Å; L434-L442 HydrophobicContact CD1-CD1 3.7Å; L439-L442 HydrophobicContact CB-CB 4.23Å; L439-L442 HydrophobicContact CB-CD1 4.09Å; L439-L442 HydrophobicContact CB-CG 4.08Å; L439-L442 HydrophobicContact CD1-CD1 3.84Å; L439-L442 CarbonylContact O-C 3.57Å; L439-L442 WeakPolarHBondContact O-CA 3.33Å; L439-L442 PolarHBondContact O-N 2.84Å; F440-L442 VanDerWaalsContact C-N 3.35Å
443	K	70.3	Confident	75.2	Confident	104 Å²	104	70.7 Å²	70.7	45%	0.452	33%	0.326	S	S	.	.	S	Bend	trans	-64.5	146.8	175.2	-79.9	-175.2	175.7	172	0	111.1	Y438 L439	Y438-K443 WeakPolarHBondContact O-CE 3.33Å; L439-K443 PolarHBondContact O-N 3Å
444	S	72.3	Confident	76.5	Confident	23 Å²	23	64.9 Å²	64.9	16%	0.161	30%	0.299	C	S	.	.			trans	-57.4	142.9	167.4	-170.5	0	0	0	0	109.6	S446 D491	S444-S446 PolarHBondContact O-N 2.86Å; S444-D491 WeakPolarHBondContact CB-OD1 3.23Å; S444-D491 PolarHBondContact OG-OD1 3.29Å
445	K	74.9	Confident	77.8	Confident	94 Å²	94	64.3 Å²	64.3	41%	0.409	30%	0.296	S	S	.	.	S	Bend	trans	-69.9	-22.7	-178.9	-62.2	171.1	-174.7	169.8	0	111.7	D492	K445-D492 IonicContact NZ-OD1 3.67Å; K445-D492 PolarHBondContact NZ-OD1 3.46Å
446	S	83.5	Confident	79.4	Confident	25 Å²	25	58.1 Å²	58.1	18%	0.175	28%	0.275	C	S	.	.	S	Bend	trans	-92.6	138.6	-174.1	-70.8	0	0	0	0	112.6	S444	S444-S446 PolarHBondContact O-N 2.86Å
447	P	86.9	Confident	81	Confident	71 Å²	71	60.1 Å²	60.1	46%	0.461	28%	0.281	S	S	.	.			trans	-69.8	157.3	173.3	30.8	-35.3	0	0	0	111.5	E449 E450 L451	P447-E449 PolarHBondContact O-N 3.02Å; P447-E449 VanDerWaalsContact O-N 3.12Å; P447-E450 WeakPolarHBondContact CD-OE2 3.45Å; P447-E450 HydrophobicContact CG-CB 4.14Å; P447-E450 HydrophobicContact CG-CG 3.81Å; P447-E450 PolarHBondContact O-N 2.96Å; P447-L451 PolarHBondContact O-N 3.05Å
448	R	89.8	Confident	82.8	Confident	139 Å²	139	65.3 Å²	65.3	53%	0.525	31%	0.307	S	S	.	.	H	α-helix	trans	-49.4	-41.8	-179	176.9	175.1	177.9	-82.6	-0.1	113.8	E450 L451 L452 L632	R448-E450 VanDerWaalsContact C-N 3.34Å; R448-E450 PolarHBondContact O-N 2.87Å; R448-L451 PolarHBondContact O-N 3.06Å; R448-L452 HydrophobicContact CG-CD1 4.21Å; R448-L452 PolarHBondContact O-N 2.98Å; R448-L632 HydrophobicContact CB-CD2 4.45Å; R448-L632 HydrophobicContact CG-CD2 3.79Å; R448-L632 PolarHBondContact NH2-O 3.26Å
449	E	91.6	Very high	84.7	Confident	137 Å²	137	59.2 Å²	59.2	64%	0.64	28%	0.284	S	S	*	.	H	α-helix	trans	-66.2	-34.9	-177.6	-65.1	174	-170.2	0	0	112.7	P447 K453	P447-E449 PolarHBondContact O-N 3.02Å; P447-E449 VanDerWaalsContact O-N 3.12Å; E449-K453 WeakPolarHBondContact O-CG 2.8Å; E449-K453 PolarHBondContact O-N 2.89Å
450	E	92.3	Very high	86.3	Confident	100 Å²	100	63.3 Å²	63.3	47%	0.467	31%	0.31	S	S	.	.	H	α-helix	trans	-72.2	-41.4	175	-73.1	-176.3	-176.3	0	0	111.1	P447 R448 L452 K453 M454	P447-E450 WeakPolarHBondContact CD-OE2 3.45Å; P447-E450 HydrophobicContact CG-CB 4.14Å; P447-E450 HydrophobicContact CG-CG 3.81Å; P447-E450 PolarHBondContact O-N 2.96Å; R448-E450 VanDerWaalsContact C-N 3.34Å; R448-E450 PolarHBondContact O-N 2.87Å; E450-L452 VanDerWaalsContact C-N 3.35Å; E450-L452 PolarHBondContact O-N 2.96Å; E450-K453 PolarHBondContact O-N 3.08Å; E450-M454 HydrophobicContact CB-CE 4.48Å; E450-M454 WeakPolarHBondContact O-CG 3.36Å; E450-M454 PolarHBondContact O-N 3.02Å
451	L	94.3	Very high	87.8	Confident	11 Å²	11	64.5 Å²	64.5	6%	0.058	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-44.5	177.1	-63.1	178.5	0	0	0	111.6	P447 R448 K453 M454 W455 L632	P447-L451 PolarHBondContact O-N 3.05Å; R448-L451 PolarHBondContact O-N 3.06Å; L451-K453 VanDerWaalsContact C-N 3.35Å; L451-K453 PolarHBondContact O-N 2.84Å; L451-M454 HydrophobicContact CD2-CE 3.82Å; L451-M454 PolarHBondContact O-N 3.16Å; L451-W455 HydrophobicContact CB-CE3 4.33Å; L451-W455 HydrophobicContact CB-CZ3 4.44Å; L451-W455 HydrophobicContact CD1-CH2 4.32Å; L451-W455 HydrophobicContact CD1-CZ3 4.33Å; L451-W455 HydrophobicContact CD2-CH2 3.82Å; L451-W455 HydrophobicContact CD2-CZ2 3.71Å; L451-W455 HydrophobicContact CD2-CZ3 4.3Å; L451-W455 WeakPolarHBondContact O-CB 3.18Å; L451-W455 PolarHBondContact O-N 2.86Å; L451-L632 HydrophobicContact CB-CD1 3.89Å; L451-L632 HydrophobicContact CB-CD2 4.13Å; L451-L632 HydrophobicContact CD1-CD2 4.16Å
452	L	95.6	Very high	89.4	Confident	23 Å²	23	65.4 Å²	65.4	12%	0.12	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-42	175.8	-78.8	168.3	0	0	0	112.5	R448 E450 M454 G456 E457 L632 Y633	R448-L452 HydrophobicContact CG-CD1 4.21Å; R448-L452 PolarHBondContact O-N 2.98Å; E450-L452 VanDerWaalsContact C-N 3.35Å; E450-L452 PolarHBondContact O-N 2.96Å; L452-M454 VanDerWaalsContact C-N 3.31Å; L452-M454 PolarHBondContact O-N 3.01Å; L452-G456 CarbonylContact O-C 3.08Å; L452-G456 VanDerWaalsContact O-CA 3.3Å; L452-G456 WeakPolarHBondContact O-CA 3.47Å; L452-G456 PolarHBondContact O-N 3.35Å; L452-E457 HydrophobicContact CB-CG 4.39Å; L452-E457 PolarHBondContact O-N 3.28Å; L452-L632 HydrophobicContact CD2-CB 3.81Å; L452-L632 HydrophobicContact CG-CB 4.27Å; L452-Y633 HydrophobicContact CD2-CD1 4.17Å; L452-Y633 HydrophobicContact CD2-CE1 3.79Å
453	K	95.8	Very high	90.7	Very high	75 Å²	75	70.6 Å²	70.6	33%	0.326	35%	0.351	S	S	.	.	H	α-helix	trans	-65.8	-34.1	177.6	-73.2	168.8	177.3	179.3	0	112.8	E449 E450 L451 N478 Y482	E449-K453 WeakPolarHBondContact O-CG 2.8Å; E449-K453 PolarHBondContact O-N 2.89Å; E450-K453 PolarHBondContact O-N 3.08Å; L451-K453 VanDerWaalsContact C-N 3.35Å; L451-K453 PolarHBondContact O-N 2.84Å; K453-N478 PolarHBondContact O-ND2 3.05Å; K453-Y482 HydrophobicContact CB-CD1 4.19Å; K453-Y482 HydrophobicContact CB-CD2 4.12Å; K453-Y482 HydrophobicContact CB-CE1 4.31Å; K453-Y482 HydrophobicContact CB-CE2 4.24Å; K453-Y482 HydrophobicContact CB-CG 4.09Å; K453-Y482 HydrophobicContact CD-CD1 4.42Å; K453-Y482 HydrophobicContact CD-CE1 3.78Å; K453-Y482 HydrophobicContact CD-CE2 4.32Å; K453-Y482 HydrophobicContact CG-CE1 4.44Å; K453-Y482 HydrophobicContact CG-CE2 4.26Å
454	M	95.3	Very high	91.9	Very high	12 Å²	12	66.7 Å²	66.7	6%	0.059	34%	0.337	C	S	.	.	H	α-helix	trans	-79.4	-50.3	179.4	-69.7	-171.4	-67.5	0	0	112.1	E450 L451 L452 N478 V484 T485	E450-M454 HydrophobicContact CB-CE 4.48Å; E450-M454 WeakPolarHBondContact O-CG 3.36Å; E450-M454 PolarHBondContact O-N 3.02Å; L451-M454 HydrophobicContact CD2-CE 3.82Å; L451-M454 PolarHBondContact O-N 3.16Å; L452-M454 VanDerWaalsContact C-N 3.31Å; L452-M454 PolarHBondContact O-N 3.01Å; M454-N478 PolarHBondContact O-ND2 3.09Å; M454-V484 HydrophobicContact CB-CG2 4.42Å; M454-V484 WeakPolarHBondContact O-CG2 3.25Å; M454-T485 HydrophobicContact SD-CG2 4.36Å; M454-T485 PolarHBondContact SD-N 3.01Å; M454-T485 PolarHBondContact SD-OG1 3.48Å
455	W	96.5	Very high	93.2	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-91.2	-8.8	-170.4	-59.4	-12.6	0	0	0	113.9	L451 V468 C486 P488 Q628 W629 L632	L451-W455 HydrophobicContact CB-CE3 4.33Å; L451-W455 HydrophobicContact CB-CZ3 4.44Å; L451-W455 HydrophobicContact CD1-CH2 4.32Å; L451-W455 HydrophobicContact CD1-CZ3 4.33Å; L451-W455 HydrophobicContact CD2-CH2 3.82Å; L451-W455 HydrophobicContact CD2-CZ2 3.71Å; L451-W455 HydrophobicContact CD2-CZ3 4.3Å; L451-W455 WeakPolarHBondContact O-CB 3.18Å; L451-W455 PolarHBondContact O-N 2.86Å; W455-V468 HydrophobicContact CB-CG1 4.41Å; W455-V468 HydrophobicContact CG-CG1 4.2Å; W455-V468 WeakPolarHBondContact O-CG2 3.17Å; W455-C486 PolarHBondContact NE1-O 2.88Å; W455-P488 HydrophobicContact CH2-CG 3.76Å; W455-P488 HydrophobicContact CZ2-CG 4.28Å; W455-P488 HydrophobicContact CZ3-CG 4.04Å; W455-Q628 HydrophobicContact CH2-CB 4.4Å; W455-Q628 HydrophobicContact CZ3-CB 4.42Å; W455-W629 HydrophobicContact CB-CZ2 3.78Å; W455-W629 HydrophobicContact CD2-CD2 4.29Å; W455-W629 HydrophobicContact CE3-CB 4.16Å; W455-W629 AromaticContact CE3-CD1 3.83Å; W455-W629 AromaticContact CE3-CD2 3.83Å; W455-W629 HydrophobicContact CE3-CD2 3.83Å; W455-W629 HydrophobicContact CE3-CE3 4.43Å; W455-W629 AromaticContact CE3-CG 3.7Å; W455-W629 HydrophobicContact CE3-CG 3.7Å; W455-W629 HydrophobicContact CG-CZ2 4.15Å; W455-W629 HydrophobicContact CZ3-CB 4.06Å; W455-W629 HydrophobicContact CZ3-CD2 4.4Å; W455-W629 HydrophobicContact CZ3-CG 4.1Å; W455-L632 HydrophobicContact CE3-CD1 3.49Å; W455-L632 VanDerWaalsContact CE3-CD1 3.49Å; W455-L632 HydrophobicContact CZ3-CD1 3.87Å
456	G	94.9	Very high	94.2	Very high	19 Å²	19	62.6 Å²	62.6	20%	0.196	32%	0.316	C	S	.	.			trans	106.6	127.9	177.9	0	0	0	0	0	111.9	L452 E458 Y633	L452-G456 CarbonylContact O-C 3.08Å; L452-G456 VanDerWaalsContact O-CA 3.3Å; L452-G456 WeakPolarHBondContact O-CA 3.47Å; L452-G456 PolarHBondContact O-N 3.35Å; G456-E458 VanDerWaalsContact C-N 3.26Å; G456-Y633 VanDerWaalsContact O-CE1 3.26Å; G456-Y633 WeakPolarHBondContact O-CE1 3.38Å; G456-Y633 PolarHBondContact O-OH 3.09Å
457	E	94.2	Very high	94.9	Very high	132 Å²	132	67 Å²	67	62%	0.617	33%	0.332	S	S	*	.	S	Bend	trans	-67.8	-31.2	174.6	-65.1	179.1	-172.9	0	0	111.3	L452 Y633	L452-E457 HydrophobicContact CB-CG 4.39Å; L452-E457 PolarHBondContact O-N 3.28Å; E457-Y633 WeakPolarHBondContact O-CE1 3.32Å
458	E	94.4	Very high	95.4	Very high	162 Å²	162	64.1 Å²	64.1	76%	0.757	31%	0.313	S	S	*	.	S	Bend	trans	-136.8	142.3	173.9	-64.5	-178.9	180	0	0	110.3	G456 S639	G456-E458 VanDerWaalsContact C-N 3.26Å; E458-S639 WeakPolarHBondContact CA-OG 3.47Å
459	L	96.4	Very high	95.7	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.037	29%	0.288	C	S	.	.			trans	-113.1	132.8	174.4	-56.5	174.2	0	0	0	108.8	V465 Y633 S639 I642 I643	L459-V465 HydrophobicContact CD1-CG2 4.13Å; L459-Y633 HydrophobicContact CD1-CE2 3.85Å; L459-Y633 HydrophobicContact CG-CE2 4.41Å; L459-S639 PolarHBondContact N-OG 3.04Å; L459-I642 HydrophobicContact CB-CD1 3.87Å; L459-I642 VanDerWaalsContact O-CD1 3.23Å; L459-I642 WeakPolarHBondContact O-CD1 3.36Å; L459-I643 HydrophobicContact CD1-CD1 3.68Å; L459-I643 HydrophobicContact CD1-CG1 3.79Å
460	T	95.9	Very high	95.9	Very high	121 Å²	121	52.5 Å²	52.5	74%	0.742	27%	0.265	S	S	*	.			trans	-104.3	-23.8	-177.1	58.4	0	0	0	0	113.5	S464	T460-S464 PolarHBondContact N-OG 3.08Å; T460-S464 PolarHBondContact OG1-OG 3.25Å
461	S	96.8	Very high	96.1	Very high	45 Å²	45	51.7 Å²	51.7	32%	0.315	26%	0.257	S	S	.	.	S	Bend	trans	-160.2	173.6	177.9	66.2	0	0	0	0	111	E463 S464	S461-E463 PolarHBondContact O-N 2.92Å; S461-E463 PolarHBondContact OG-N 3.02Å; S461-S464 PolarHBondContact N-OG 3.45Å; S461-S464 WeakPolarHBondContact O-CB 3.36Å; S461-S464 PolarHBondContact O-N 2.6Å; S461-S464 PolarHBondContact O-OG 3.42Å
462	E	96.8	Very high	96.2	Very high	62 Å²	62	52.1 Å²	52.1	29%	0.29	26%	0.258	S	S	.	.	H	α-helix	trans	-56.5	-34.1	171.9	-64.8	171.5	-118.1	0	0	112	S464 V465 F466 I642 Y645 I646 Y650	E462-S464 PolarHBondContact O-N 3.41Å; E462-S464 VanDerWaalsContact O-N 3.15Å; E462-V465 WeakPolarHBondContact O-CA 3.26Å; E462-V465 VanDerWaalsContact O-CB 3.29Å; E462-V465 WeakPolarHBondContact O-CB 3.35Å; E462-V465 PolarHBondContact O-N 3.46Å; E462-F466 HydrophobicContact CB-CE1 4Å; E462-F466 HydrophobicContact CB-CZ 3.94Å; E462-F466 WeakPolarHBondContact O-CD1 3.41Å; E462-F466 WeakPolarHBondContact O-CE1 3.31Å; E462-F466 PolarHBondContact O-N 3.03Å; E462-F466 VanDerWaalsContact O-N 3.16Å; E462-I642 HydrophobicContact CG-CG2 4.48Å; E462-Y645 HydrophobicContact CG-CD1 4.45Å; E462-Y645 VanDerWaalsContact OE1-CE1 3.24Å; E462-Y645 WeakPolarHBondContact OE1-CE1 3.31Å; E462-I646 HydrophobicContact CG-CD1 4.5Å; E462-I646 HydrophobicContact CG-CG1 4.39Å; E462-Y650 VanDerWaalsContact OE2-CE1 3.29Å; E462-Y650 WeakPolarHBondContact OE2-CE1 3.49Å; E462-Y650 VanDerWaalsContact OE2-CZ 3.27Å; E462-Y650 PolarHBondContact OE2-OH 2.79Å
463	E	96.3	Very high	96.2	Very high	118 Å²	118	51.5 Å²	51.5	55%	0.551	26%	0.255	S	S	*	.	H	α-helix	trans	-61.3	-25	175.3	-63.7	-175.8	179.8	0	0	113.5	S461 V465 F466 K467	S461-E463 PolarHBondContact O-N 2.92Å; S461-E463 PolarHBondContact OG-N 3.02Å; E463-V465 PolarHBondContact O-N 2.95Å; E463-F466 HydrophobicContact CG-CD2 4.39Å; E463-F466 PolarHBondContact O-N 3.18Å; E463-K467 WeakPolarHBondContact O-CG 3.34Å; E463-K467 PolarHBondContact O-N 3.25Å; E463-K467 VanDerWaalsContact O-N 3.13Å
464	S	96.6	Very high	96.1	Very high	23 Å²	23	48.8 Å²	48.8	16%	0.161	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-38.6	172.8	-59.7	0	0	0	0	110.7	T460 S461 E462	T460-S464 PolarHBondContact N-OG 3.08Å; T460-S464 PolarHBondContact OG1-OG 3.25Å; S461-S464 PolarHBondContact N-OG 3.45Å; S461-S464 WeakPolarHBondContact O-CB 3.36Å; S461-S464 PolarHBondContact O-N 2.6Å; S461-S464 PolarHBondContact O-OG 3.42Å; E462-S464 PolarHBondContact O-N 3.41Å; E462-S464 VanDerWaalsContact O-N 3.15Å
465	V	97.8	Very high	96	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-70	-42.8	176.2	-177.7	0	0	0	0	110.4	L459 E462 E463 K467 V468 F469 L514 W625 W629 I642 I643 I646	L459-V465 HydrophobicContact CD1-CG2 4.13Å; E462-V465 WeakPolarHBondContact O-CA 3.26Å; E462-V465 VanDerWaalsContact O-CB 3.29Å; E462-V465 WeakPolarHBondContact O-CB 3.35Å; E462-V465 PolarHBondContact O-N 3.46Å; E463-V465 PolarHBondContact O-N 2.95Å; V465-K467 VanDerWaalsContact C-N 3.27Å; V465-K467 PolarHBondContact O-N 2.87Å; V465-V468 WeakPolarHBondContact O-CB 3.41Å; V465-V468 PolarHBondContact O-N 3.31Å; V465-F469 HydrophobicContact CG1-CD2 4.27Å; V465-F469 HydrophobicContact CG1-CE2 3.91Å; V465-F469 WeakPolarHBondContact O-CD2 3.26Å; V465-F469 PolarHBondContact O-N 2.86Å; V465-L514 HydrophobicContact CG1-CD1 4.27Å; V465-W625 HydrophobicContact CG1-CH2 3.72Å; V465-W625 HydrophobicContact CG1-CZ3 3.77Å; V465-W629 HydrophobicContact CG1-CH2 3.86Å; V465-W629 HydrophobicContact CG1-CZ2 4.37Å; V465-W629 HydrophobicContact CG1-CZ3 4.21Å; V465-I642 HydrophobicContact CG2-CG2 4.28Å; V465-I643 HydrophobicContact CG2-CD1 3.93Å; V465-I646 HydrophobicContact CB-CD1 4.11Å; V465-I646 HydrophobicContact CG1-CD1 4.12Å; V465-I646 HydrophobicContact CG2-CD1 3.78Å
466	F	97.6	Very high	95.9	Very high	31 Å²	31	55.3 Å²	55.3	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-59.5	-41.1	-178.1	-56.7	-3.5	0	0	0	111.4	E462 E463 V468 F469 E470 L514 Y650	E462-F466 HydrophobicContact CB-CE1 4Å; E462-F466 HydrophobicContact CB-CZ 3.94Å; E462-F466 WeakPolarHBondContact O-CD1 3.41Å; E462-F466 WeakPolarHBondContact O-CE1 3.31Å; E462-F466 PolarHBondContact O-N 3.03Å; E462-F466 VanDerWaalsContact O-N 3.16Å; E463-F466 HydrophobicContact CG-CD2 4.39Å; E463-F466 PolarHBondContact O-N 3.18Å; F466-V468 VanDerWaalsContact C-N 3.28Å; F466-V468 PolarHBondContact O-N 2.97Å; F466-F469 PolarHBondContact O-N 3.37Å; F466-E470 PolarHBondContact O-N 2.83Å; F466-E470 VanDerWaalsContact O-N 3.08Å; F466-L514 HydrophobicContact CB-CD2 4.21Å; F466-L514 HydrophobicContact CD1-CD1 3.94Å; F466-L514 HydrophobicContact CD1-CD2 3.53Å; F466-L514 HydrophobicContact CD1-CG 4.15Å; F466-L514 HydrophobicContact CE1-CD1 4.02Å; F466-L514 HydrophobicContact CE1-CD2 4.2Å; F466-L514 HydrophobicContact CE1-CG 4.38Å; F466-L514 HydrophobicContact CG-CD2 4.05Å; F466-Y650 WeakPolarHBondContact CE1-OH 3.29Å; F466-Y650 WeakPolarHBondContact CZ-OH 3.37Å
467	K	96.5	Very high	95.9	Very high	118 Å²	118	57.1 Å²	57.1	51%	0.513	30%	0.295	S	S	.	.	H	α-helix	trans	-61.1	-34.6	175.9	-73.7	171.2	-175.6	168.5	0	112.5	E463 V465 E470 R471	E463-K467 WeakPolarHBondContact O-CG 3.34Å; E463-K467 PolarHBondContact O-N 3.25Å; E463-K467 VanDerWaalsContact O-N 3.13Å; V465-K467 VanDerWaalsContact C-N 3.27Å; V465-K467 PolarHBondContact O-N 2.87Å; K467-E470 PolarHBondContact O-N 3.41Å; K467-R471 WeakPolarHBondContact O-CB 3.46Å; K467-R471 WeakPolarHBondContact O-CG 3.45Å; K467-R471 PolarHBondContact O-N 3.31Å
468	V	97.4	Very high	95.8	Very high	10 Å²	10	52 Å²	52	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-41.7	178.9	174.9	0	0	0	0	111.1	W455 V465 F466 R471 Y472 V484 L487 W629	W455-V468 HydrophobicContact CB-CG1 4.41Å; W455-V468 HydrophobicContact CG-CG1 4.2Å; W455-V468 WeakPolarHBondContact O-CG2 3.17Å; V465-V468 WeakPolarHBondContact O-CB 3.41Å; V465-V468 PolarHBondContact O-N 3.31Å; F466-V468 VanDerWaalsContact C-N 3.28Å; F466-V468 PolarHBondContact O-N 2.97Å; V468-R471 PolarHBondContact O-N 2.8Å; V468-Y472 PolarHBondContact O-N 3.26Å; V468-V484 HydrophobicContact CG1-CG1 4.09Å; V468-V484 HydrophobicContact CG1-CG2 4.41Å; V468-L487 HydrophobicContact CG1-CD2 3.94Å; V468-W629 HydrophobicContact CB-CH2 3.73Å; V468-W629 HydrophobicContact CB-CZ2 4.04Å; V468-W629 HydrophobicContact CG1-CH2 3.53Å; V468-W629 HydrophobicContact CG1-CZ2 3.91Å; V468-W629 HydrophobicContact CG2-CH2 4.23Å; V468-W629 HydrophobicContact CG2-CZ2 4.02Å
469	F	97.7	Very high	95.6	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-43.5	174	-78.3	-111.7	0	0	0	111.8	V465 F466 R471 Y472 L473 L487 W489 N509 L514 I516 W625 W629	V465-F469 HydrophobicContact CG1-CD2 4.27Å; V465-F469 HydrophobicContact CG1-CE2 3.91Å; V465-F469 WeakPolarHBondContact O-CD2 3.26Å; V465-F469 PolarHBondContact O-N 2.86Å; F466-F469 PolarHBondContact O-N 3.37Å; F469-R471 VanDerWaalsContact C-N 3.31Å; F469-R471 PolarHBondContact O-N 2.91Å; F469-Y472 PolarHBondContact O-N 3.23Å; F469-L473 WeakPolarHBondContact O-CG 3.41Å; F469-L473 PolarHBondContact O-N 3.34Å; F469-L473 VanDerWaalsContact O-N 3.12Å; F469-L487 HydrophobicContact CD1-CD1 3.81Å; F469-L487 HydrophobicContact CE1-CD1 4.03Å; F469-L487 HydrophobicContact CG-CD1 4.2Å; F469-W489 HydrophobicContact CE1-CE3 4.39Å; F469-W489 HydrophobicContact CE1-CZ3 4.03Å; F469-W489 HydrophobicContact CE2-CZ3 4.16Å; F469-W489 HydrophobicContact CZ-CE3 4.13Å; F469-W489 AromaticContact CZ-CH2 3.96Å; F469-W489 HydrophobicContact CZ-CH2 3.96Å; F469-W489 AromaticContact CZ-CZ3 3.34Å; F469-W489 HydrophobicContact CZ-CZ3 3.34Å; F469-N509 HydrophobicContact CB-CB 4.38Å; F469-N509 WeakPolarHBondContact CB-OD1 3.35Å; F469-L514 HydrophobicContact CB-CD2 4.41Å; F469-L514 HydrophobicContact CD1-CB 3.97Å; F469-L514 HydrophobicContact CD1-CD2 4.5Å; F469-L514 HydrophobicContact CD2-CD2 4.15Å; F469-L514 HydrophobicContact CE1-CB 3.7Å; F469-L514 HydrophobicContact CE2-CB 4.32Å; F469-L514 HydrophobicContact CE2-CD1 4.19Å; F469-L514 HydrophobicContact CG-CB 4.38Å; F469-L514 HydrophobicContact CG-CD2 4.12Å; F469-L514 HydrophobicContact CZ-CB 3.87Å; F469-L514 HydrophobicContact CZ-CD1 4.36Å; F469-I516 HydrophobicContact CE1-CG2 4.08Å; F469-W625 AromaticContact CE2-CH2 3.88Å; F469-W625 HydrophobicContact CE2-CH2 3.88Å; F469-W625 AromaticContact CZ-CH2 3.95Å; F469-W625 HydrophobicContact CZ-CH2 3.95Å; F469-W625 HydrophobicContact CZ-CZ2 4.25Å; F469-W629 HydrophobicContact CD2-CH2 4.46Å; F469-W629 HydrophobicContact CD2-CZ3 4.47Å; F469-W629 HydrophobicContact CE2-CH2 4.16Å; F469-W629 AromaticContact CE2-CZ3 3.79Å; F469-W629 HydrophobicContact CE2-CZ3 3.79Å
470	E	95.8	Very high	95.3	Very high	30 Å²	30	58.4 Å²	58.4	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-42.2	174.3	-173.6	-165.5	172.2	0	0	111.9	F466 K467 L473 S474 L506 R510	F466-E470 PolarHBondContact O-N 2.83Å; F466-E470 VanDerWaalsContact O-N 3.08Å; K467-E470 PolarHBondContact O-N 3.41Å; E470-L473 PolarHBondContact O-N 2.93Å; E470-S474 WeakPolarHBondContact O-CB 3.44Å; E470-S474 PolarHBondContact O-N 3.4Å; E470-S474 PolarHBondContact O-OG 3.28Å; E470-L506 HydrophobicContact CG-CD2 3.75Å; E470-L506 WeakPolarHBondContact O-CD2 3.1Å; E470-R510 VanDerWaalsContact CD-NE 3.28Å; E470-R510 HydrophobicContact CG-CG 4.12Å; E470-R510 IonicContact OE1-CZ 2.73Å; E470-R510 IonicContact OE1-NE 3.34Å; E470-R510 PolarHBondContact OE1-NE 3.41Å; E470-R510 IonicContact OE1-NH2 3.56Å; E470-R510 PolarHBondContact OE1-NH2 3.44Å; E470-R510 IonicContact OE2-NE 3.13Å
471	R	95.6	Very high	95.1	Very high	84 Å²	84	55.3 Å²	55.3	32%	0.317	29%	0.293	S	S	.	.	H	α-helix	trans	-69	-38.6	-179.7	-67.7	-71.2	166.7	-176.7	-7	112.2	K467 V468 F469 L473 S474 G475 E476 P477 V484	K467-R471 WeakPolarHBondContact O-CB 3.46Å; K467-R471 WeakPolarHBondContact O-CG 3.45Å; K467-R471 PolarHBondContact O-N 3.31Å; V468-R471 PolarHBondContact O-N 2.8Å; F469-R471 VanDerWaalsContact C-N 3.31Å; F469-R471 PolarHBondContact O-N 2.91Å; R471-L473 VanDerWaalsContact C-N 3.33Å; R471-L473 PolarHBondContact O-N 2.91Å; R471-S474 WeakPolarHBondContact CA-OG 3.35Å; R471-S474 PolarHBondContact O-OG 2.67Å; R471-G475 PolarHBondContact O-N 3.04Å; R471-E476 WeakPolarHBondContact CD-O 3.36Å; R471-P477 PolarHBondContact NH1-O 3.06Å; R471-V484 HydrophobicContact CB-CB 4.22Å; R471-V484 HydrophobicContact CB-CG2 3.68Å
472	Y	95.8	Very high	95	Very high	20 Å²	20	58 Å²	58	8%	0.078	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-46.3	172.6	174.7	-111.5	0	0	0	111.5	V468 F469 V484 L487 N490 D492 L494	V468-Y472 PolarHBondContact O-N 3.26Å; F469-Y472 PolarHBondContact O-N 3.23Å; Y472-V484 HydrophobicContact CD2-CG1 4.45Å; Y472-L487 HydrophobicContact CD1-CD1 3.43Å; Y472-L487 VanDerWaalsContact CD1-CD1 3.43Å; Y472-L487 HydrophobicContact CD1-CG 3.83Å; Y472-L487 HydrophobicContact CD2-CG 4.2Å; Y472-L487 HydrophobicContact CE1-CD1 4Å; Y472-L487 HydrophobicContact CE1-CG 4.36Å; Y472-L487 HydrophobicContact CG-CD1 3.83Å; Y472-L487 HydrophobicContact CG-CD2 4.44Å; Y472-L487 HydrophobicContact CG-CG 3.73Å; Y472-N490 HydrophobicContact CE1-CB 4.27Å; Y472-N490 WeakPolarHBondContact OH-CB 3.41Å; Y472-D492 PolarHBondContact OH-O 2.89Å; Y472-L494 HydrophobicContact CD1-CD2 4.39Å; Y472-L494 HydrophobicContact CE1-CD2 3.52Å; Y472-L494 HydrophobicContact CE1-CG 4.36Å
473	L	95.2	Very high	94.9	Very high	10 Å²	10	57.9 Å²	57.9	5%	0.052	30%	0.3	C	S	.	.	H	α-helix	trans	-71.3	-41.2	-179.7	-69.9	168.8	0	0	0	113.3	F469 E470 R471 L494 K502 L505 L506 N509	F469-L473 WeakPolarHBondContact O-CG 3.41Å; F469-L473 PolarHBondContact O-N 3.34Å; F469-L473 VanDerWaalsContact O-N 3.12Å; E470-L473 PolarHBondContact O-N 2.93Å; R471-L473 VanDerWaalsContact C-N 3.33Å; R471-L473 PolarHBondContact O-N 2.91Å; L473-L494 HydrophobicContact CD2-CD1 4.06Å; L473-L494 HydrophobicContact CD2-CD2 4.15Å; L473-K502 WeakPolarHBondContact O-CE 3.44Å; L473-K502 PolarHBondContact O-NZ 3.08Å; L473-L505 HydrophobicContact CD1-CB 3.91Å; L473-L505 HydrophobicContact CD2-CB 4.49Å; L473-L505 HydrophobicContact CD2-CD1 4.26Å; L473-L506 HydrophobicContact CB-CD2 3.72Å; L473-L506 HydrophobicContact CB-CG 4.34Å; L473-N509 HydrophobicContact CD1-CB 4.37Å; L473-N509 VanDerWaalsContact CD1-ND2 3.3Å; L473-N509 WeakPolarHBondContact CD1-ND2 3.28Å
474	S	94.5	Very high	94.8	Very high	18 Å²	18	52.4 Å²	52.4	13%	0.126	28%	0.275	C	S	.	.	H	α-helix	trans	-72.5	-35.8	-177.7	55.4	0	0	0	0	112.1	E470 R471 E476 K502	E470-S474 WeakPolarHBondContact O-CB 3.44Å; E470-S474 PolarHBondContact O-N 3.4Å; E470-S474 PolarHBondContact O-OG 3.28Å; R471-S474 WeakPolarHBondContact CA-OG 3.35Å; R471-S474 PolarHBondContact O-OG 2.67Å; S474-E476 PolarHBondContact OG-N 3.43Å; S474-K502 PolarHBondContact O-NZ 3.06Å
475	G	93.4	Very high	94.6	Very high	39 Å²	39	55 Å²	55	40%	0.402	29%	0.29	S	S	.	.			trans	79.7	2.8	-170.4	0	0	0	0	0	113.4	R471 T483	R471-G475 PolarHBondContact O-N 3.04Å; G475-T483 WeakPolarHBondContact O-CG2 3.39Å
476	E	94	Very high	94.5	Very high	112 Å²	112	55.2 Å²	55.2	52%	0.523	29%	0.291	S	S	.	.			trans	-77	143.7	-179.8	-68.3	-61.1	136.4	0	0	111.2	R471 S474	R471-E476 WeakPolarHBondContact CD-O 3.36Å; S474-E476 PolarHBondContact OG-N 3.43Å
477	P	94.4	Very high	94.4	Very high	57 Å²	57	53.8 Å²	53.8	37%	0.37	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-59.4	150	175.2	-21.7	32.5	0	0	0	112.5	R471 Y482	R471-P477 PolarHBondContact NH1-O 3.06Å; P477-Y482 CarbonylContact C-O 3.6Å
478	N	92.8	Very high	94.3	Very high	25 Å²	25	48.1 Å²	48.1	13%	0.134	26%	0.261	C	S	.	.			trans	-74.3	178.5	168.6	72.9	16	0	0	0	111.1	K453 M454 H480 G481 Y482	K453-N478 PolarHBondContact O-ND2 3.05Å; M454-N478 PolarHBondContact O-ND2 3.09Å; N478-H480 PolarHBondContact O-N 3.11Å; N478-H480 WeakPolarHBondContact OD1-CA 3.3Å; N478-H480 PolarHBondContact OD1-N 3.22Å; N478-G481 PolarHBondContact O-N 3Å; N478-G481 PolarHBondContact OD1-N 2.86Å; N478-Y482 WeakPolarHBondContact CB-O 3.42Å; N478-Y482 PolarHBondContact N-O 3.2Å; N478-Y482 PolarHBondContact OD1-N 3.43Å; N478-Y482 PolarHBondContact OD1-O 3.22Å
479	Q	89.4	Confident	94.2	Very high	176 Å²	176	47.8 Å²	47.8	82%	0.822	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.5	-177.7	69.7	-170.5	4.3	0	0	114.6
480	H	90.1	Very high	94	Very high	127 Å²	127	48.4 Å²	48.4	59%	0.588	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	6.7	178.4	-57.8	-66.6	0	0	0	112.8	N478 Y482	N478-H480 PolarHBondContact O-N 3.11Å; N478-H480 WeakPolarHBondContact OD1-CA 3.3Å; N478-H480 PolarHBondContact OD1-N 3.22Å; H480-Y482 HydrophobicContact CB-CD2 3.88Å; H480-Y482 HydrophobicContact CB-CE2 4.12Å; H480-Y482 WeakPolarHBondContact O-CD2 3.33Å
481	G	93.1	Very high	93.5	Very high	55 Å²	55	48.4 Å²	48.4	57%	0.567	26%	0.263	S	S	*	.	S	Bend	trans	84.7	11.8	177.1	0	0	0	0	0	115.1	N478	N478-G481 PolarHBondContact O-N 3Å; N478-G481 PolarHBondContact OD1-N 2.86Å
482	Y	93.9	Very high	93	Very high	102 Å²	102	48.3 Å²	48.3	40%	0.4	27%	0.269	S	S	.	.			trans	-100.6	129.9	178	-62.5	-86.1	0	0	0	111.4	K453 P477 N478 H480	K453-Y482 HydrophobicContact CB-CD1 4.19Å; K453-Y482 HydrophobicContact CB-CD2 4.12Å; K453-Y482 HydrophobicContact CB-CE1 4.31Å; K453-Y482 HydrophobicContact CB-CE2 4.24Å; K453-Y482 HydrophobicContact CB-CG 4.09Å; K453-Y482 HydrophobicContact CD-CD1 4.42Å; K453-Y482 HydrophobicContact CD-CE1 3.78Å; K453-Y482 HydrophobicContact CD-CE2 4.32Å; K453-Y482 HydrophobicContact CG-CE1 4.44Å; K453-Y482 HydrophobicContact CG-CE2 4.26Å; P477-Y482 CarbonylContact C-O 3.6Å; N478-Y482 WeakPolarHBondContact CB-O 3.42Å; N478-Y482 PolarHBondContact N-O 3.2Å; N478-Y482 PolarHBondContact OD1-N 3.43Å; N478-Y482 PolarHBondContact OD1-O 3.22Å; H480-Y482 HydrophobicContact CB-CD2 3.88Å; H480-Y482 HydrophobicContact CB-CE2 4.12Å; H480-Y482 WeakPolarHBondContact O-CD2 3.33Å
483	T	94.6	Very high	92.5	Very high	59 Å²	59	52.9 Å²	52.9	36%	0.362	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-79.7	136.8	172	-59.8	0	0	0	0	110.2	G475 T485	G475-T483 WeakPolarHBondContact O-CG2 3.39Å; T483-T485 PolarHBondContact O-N 3.19Å
484	V	94.9	Very high	92.3	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.024	31%	0.314	C	S	.	.			trans	-79.9	108.4	174.9	-177.3	0	0	0	0	108.8	M454 V468 R471 Y472 C486 L487	M454-V484 HydrophobicContact CB-CG2 4.42Å; M454-V484 WeakPolarHBondContact O-CG2 3.25Å; V468-V484 HydrophobicContact CG1-CG1 4.09Å; V468-V484 HydrophobicContact CG1-CG2 4.41Å; R471-V484 HydrophobicContact CB-CB 4.22Å; R471-V484 HydrophobicContact CB-CG2 3.68Å; Y472-V484 HydrophobicContact CD2-CG1 4.45Å; V484-C486 WeakPolarHBondContact CG1-O 3.42Å; V484-L487 HydrophobicContact CG1-CD2 4.47Å
485	T	93.2	Very high	92	Very high	78 Å²	78	56.9 Å²	56.9	48%	0.479	33%	0.326	S	S	.	.			trans	-94	-17.5	-175.5	58.2	0	0	0	0	113.8	M454 T483	M454-T485 HydrophobicContact SD-CG2 4.36Å; M454-T485 PolarHBondContact SD-N 3.01Å; M454-T485 PolarHBondContact SD-OG1 3.48Å; T483-T485 PolarHBondContact O-N 3.19Å
486	C	94.3	Very high	91.8	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.02	33%	0.327	C	S	.	.			trans	-149.6	163.7	-179	61.6	0	0	0	0	112.3	W455 V484 N490	W455-C486 PolarHBondContact NE1-O 2.88Å; V484-C486 WeakPolarHBondContact CG1-O 3.42Å; C486-N490 VanDerWaalsContact CA-O 3.31Å; C486-N490 WeakPolarHBondContact CA-O 3.48Å; C486-N490 WeakPolarHBondContact CB-O 3.2Å
487	L	95.8	Very high	91.7	Very high	1 Å²	1	54 Å²	54	1%	0.005	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-127.6	163.7	168.5	-67.1	177.6	0	0	0	108.9	V468 F469 Y472 V484 W489 N490	V468-L487 HydrophobicContact CG1-CD2 3.94Å; F469-L487 HydrophobicContact CD1-CD1 3.81Å; F469-L487 HydrophobicContact CE1-CD1 4.03Å; F469-L487 HydrophobicContact CG-CD1 4.2Å; Y472-L487 HydrophobicContact CD1-CD1 3.43Å; Y472-L487 VanDerWaalsContact CD1-CD1 3.43Å; Y472-L487 HydrophobicContact CD1-CG 3.83Å; Y472-L487 HydrophobicContact CD2-CG 4.2Å; Y472-L487 HydrophobicContact CE1-CD1 4Å; Y472-L487 HydrophobicContact CE1-CG 4.36Å; Y472-L487 HydrophobicContact CG-CD1 3.83Å; Y472-L487 HydrophobicContact CG-CD2 4.44Å; Y472-L487 HydrophobicContact CG-CG 3.73Å; V484-L487 HydrophobicContact CG1-CD2 4.47Å; L487-W489 HydrophobicContact CB-CE3 4.27Å; L487-W489 PolarHBondContact O-N 3.35Å; L487-N490 PolarHBondContact N-O 3.12Å; L487-N490 CarbonylContact O-C 3.29Å; L487-N490 VanDerWaalsContact O-C 3.29Å; L487-N490 PolarHBondContact O-N 2.8Å; L487-N490 VanDerWaalsContact O-O 3.08Å
488	P	94.7	Very high	91.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-31.2	177.8	-29.7	35.3	0	0	0	115.5	W455 L624 Q628 W629	W455-P488 HydrophobicContact CH2-CG 3.76Å; W455-P488 HydrophobicContact CZ2-CG 4.28Å; W455-P488 HydrophobicContact CZ3-CG 4.04Å; P488-L624 HydrophobicContact CB-CB 4.07Å; P488-Q628 HydrophobicContact CB-CB 4.06Å; P488-Q628 HydrophobicContact CG-CB 4.31Å; P488-W629 HydrophobicContact CG-CB 4.23Å; P488-W629 HydrophobicContact CG-CD2 4.48Å; P488-W629 HydrophobicContact CG-CE3 3.71Å; P488-W629 HydrophobicContact CG-CZ3 4.44Å
489	W	95.2	Very high	91.6	Very high	3 Å²	3	54.5 Å²	54.5	1%	0.011	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-18.3	179.7	-51.5	-88.1	0	0	0	113.5	S403 F469 L487 I516 F550 A621 L624 W625	S403-W489 WeakPolarHBondContact CB-O 3.36Å; F469-W489 HydrophobicContact CE1-CE3 4.39Å; F469-W489 HydrophobicContact CE1-CZ3 4.03Å; F469-W489 HydrophobicContact CE2-CZ3 4.16Å; F469-W489 HydrophobicContact CZ-CE3 4.13Å; F469-W489 AromaticContact CZ-CH2 3.96Å; F469-W489 HydrophobicContact CZ-CH2 3.96Å; F469-W489 AromaticContact CZ-CZ3 3.34Å; F469-W489 HydrophobicContact CZ-CZ3 3.34Å; L487-W489 HydrophobicContact CB-CE3 4.27Å; L487-W489 PolarHBondContact O-N 3.35Å; W489-I516 HydrophobicContact CB-CB 4.08Å; W489-I516 HydrophobicContact CB-CG2 4.25Å; W489-I516 HydrophobicContact CD2-CB 4.34Å; W489-I516 HydrophobicContact CD2-CG2 3.57Å; W489-I516 HydrophobicContact CE3-CG2 3.61Å; W489-I516 HydrophobicContact CG-CB 4.08Å; W489-I516 HydrophobicContact CG-CD1 4.25Å; W489-I516 HydrophobicContact CG-CG2 3.84Å; W489-I516 HydrophobicContact CZ3-CG2 4.31Å; W489-F550 AromaticContact CE2-CE2 3.64Å; W489-F550 HydrophobicContact CH2-CE2 4.45Å; W489-F550 HydrophobicContact CZ2-CD2 4.2Å; W489-F550 AromaticContact CZ2-CE2 3.62Å; W489-F550 HydrophobicContact CZ2-CE2 3.62Å; W489-F550 HydrophobicContact CZ2-CZ 4.31Å; W489-F550 AromaticContact NE1-CE2 3.68Å; W489-A621 PolarHBondContact NE1-O 3.36Å; W489-L624 HydrophobicContact CG-CD1 4.3Å; W489-W625 AromaticContact CH2-CD2 3.55Å; W489-W625 HydrophobicContact CH2-CD2 3.55Å; W489-W625 AromaticContact CH2-CE2 3.3Å; W489-W625 AromaticContact CH2-CE3 3.85Å; W489-W625 HydrophobicContact CH2-CE3 3.85Å; W489-W625 HydrophobicContact CH2-CG 4.18Å; W489-W625 AromaticContact CH2-CH2 3.71Å; W489-W625 HydrophobicContact CH2-CH2 3.71Å; W489-W625 AromaticContact CH2-CZ2 3.39Å; W489-W625 HydrophobicContact CH2-CZ2 3.39Å; W489-W625 AromaticContact CH2-CZ3 3.93Å; W489-W625 HydrophobicContact CH2-CZ3 3.93Å; W489-W625 AromaticContact CH2-NE1 3.79Å; W489-W625 AromaticContact CZ2-CD1 3.64Å; W489-W625 AromaticContact CZ2-CD2 3.7Å; W489-W625 HydrophobicContact CZ2-CD2 3.7Å; W489-W625 AromaticContact CZ2-CE2 3.41Å; W489-W625 VanDerWaalsContact CZ2-CE2 3.41Å; W489-W625 HydrophobicContact CZ2-CE3 4.42Å; W489-W625 AromaticContact CZ2-CG 3.85Å; W489-W625 HydrophobicContact CZ2-CG 3.85Å; W489-W625 AromaticContact CZ2-CZ2 3.92Å; W489-W625 HydrophobicContact CZ2-CZ2 3.92Å; W489-W625 AromaticContact CZ2-NE1 3.36Å; W489-W625 HydrophobicContact CZ3-CH2 4.44Å; W489-W625 HydrophobicContact CZ3-CZ2 4.35Å
490	N	92.8	Very high	91.7	Very high	14 Å²	14	50.6 Å²	50.6	8%	0.075	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-135.5	96.2	-172	-44.6	97	0	0	0	110.2	S403 Y472 C486 L487 D492 I516	S403-N490 WeakPolarHBondContact CB-ND2 3.3Å; S403-N490 PolarHBondContact OG-ND2 3.22Å; Y472-N490 HydrophobicContact CE1-CB 4.27Å; Y472-N490 WeakPolarHBondContact OH-CB 3.41Å; C486-N490 VanDerWaalsContact CA-O 3.31Å; C486-N490 WeakPolarHBondContact CA-O 3.48Å; C486-N490 WeakPolarHBondContact CB-O 3.2Å; L487-N490 PolarHBondContact N-O 3.12Å; L487-N490 CarbonylContact O-C 3.29Å; L487-N490 VanDerWaalsContact O-C 3.29Å; L487-N490 PolarHBondContact O-N 2.8Å; L487-N490 VanDerWaalsContact O-O 3.08Å; N490-D492 VanDerWaalsContact C-N 3.35Å; N490-I516 PolarHBondContact ND2-O 2.91Å; N490-I516 PolarHBondContact OD1-O 3.34Å
491	D	86.5	Confident	91.9	Very high	30 Å²	30	44.9 Å²	44.9	16%	0.16	28%	0.275	C	S	.	.			trans	-86.4	-4.8	178.9	-75.5	-54.2	0	0	0	113.5	R404 S444	R404-D491 IonicContact NH1-OD2 3.07Å; S444-D491 WeakPolarHBondContact CB-OD1 3.23Å; S444-D491 PolarHBondContact OG-OD1 3.29Å
492	D	84.3	Confident	92	Very high	82 Å²	82	45.7 Å²	45.7	44%	0.439	26%	0.263	S	S	.	.	S	Bend	trans	-116.7	159.4	-178	-71	-44.6	0	0	0	111.5	K445 Y472 N490	K445-D492 IonicContact NZ-OD1 3.67Å; K445-D492 PolarHBondContact NZ-OD1 3.46Å; Y472-D492 PolarHBondContact OH-O 2.89Å; N490-D492 VanDerWaalsContact C-N 3.35Å
493	P	86.1	Confident	92.2	Very high	115 Å²	115	46.8 Å²	46.8	75%	0.747	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-58.6	156.4	172.5	-22.1	33.4	0	0	0	112.4	A495	P493-A495 PolarHBondContact O-N 2.96Å
494	L	89.9	Confident	92.3	Very high	66 Å²	66	47.3 Å²	47.3	35%	0.346	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-56	138.9	176.8	-63.5	177.2	0	0	0	111.8	Y472 L473 T498	Y472-L494 HydrophobicContact CD1-CD2 4.39Å; Y472-L494 HydrophobicContact CE1-CD2 3.52Å; Y472-L494 HydrophobicContact CE1-CG 4.36Å; L473-L494 HydrophobicContact CD2-CD1 4.06Å; L473-L494 HydrophobicContact CD2-CD2 4.15Å; L494-T498 HydrophobicContact CD1-CG2 4.09Å; L494-T498 HydrophobicContact CD2-CG2 4.19Å
495	A	88.6	Confident	92.4	Very high	46 Å²	46	47.1 Å²	47.1	38%	0.38	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-63.5	153	170.5	0	0	0	0	0	110.5	P493 E497 T498	P493-A495 PolarHBondContact O-N 2.96Å; A495-E497 HydrophobicContact CB-CG 4.18Å; A495-E497 PolarHBondContact O-N 3.45Å; A495-E497 VanDerWaalsContact O-N 3.16Å; A495-T498 WeakPolarHBondContact O-CB 3.4Å; A495-T498 PolarHBondContact O-N 2.95Å; A495-T498 VanDerWaalsContact O-N 3.1Å; A495-T498 PolarHBondContact O-OG1 2.85Å
496	A	89.6	Confident	92.6	Very high	50 Å²	50	43.7 Å²	43.7	41%	0.413	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-56.8	-33.8	-179.7	0	0	0	0	0	112.5	T498 S499 V531	A496-T498 VanDerWaalsContact C-N 3.28Å; A496-T498 PolarHBondContact O-N 3.36Å; A496-S499 WeakPolarHBondContact O-CB 3.38Å; A496-S499 PolarHBondContact O-N 2.87Å; A496-S499 PolarHBondContact O-OG 3.46Å; A496-V531 HydrophobicContact CB-CG1 4.02Å
497	E	90.9	Very high	92.7	Very high	40 Å²	40	47.5 Å²	47.5	19%	0.187	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-64.7	-28.3	-179.8	69.9	-174.1	168.8	0	0	113.8	A495 S499 L500 P520 V531 V532 Q543	A495-E497 HydrophobicContact CB-CG 4.18Å; A495-E497 PolarHBondContact O-N 3.45Å; A495-E497 VanDerWaalsContact O-N 3.16Å; E497-S499 PolarHBondContact O-N 3.09Å; E497-L500 WeakPolarHBondContact O-CB 3.48Å; E497-L500 PolarHBondContact O-N 2.97Å; E497-L500 VanDerWaalsContact O-N 3.12Å; E497-P520 HydrophobicContact CB-CG 4.15Å; E497-V531 HydrophobicContact CB-CG1 4.08Å; E497-V532 HydrophobicContact CB-CG1 3.96Å; E497-Q543 PolarHBondContact OE2-NE2 2.84Å; E497-Q543 VanDerWaalsContact OE2-NE2 3.16Å
498	T	92.9	Very high	92.7	Very high	13 Å²	13	47.4 Å²	47.4	8%	0.08	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-63.3	-25.9	177.1	-48.3	0	0	0	0	111.8	L494 A495 A496 L500 M501 K502 L505	L494-T498 HydrophobicContact CD1-CG2 4.09Å; L494-T498 HydrophobicContact CD2-CG2 4.19Å; A495-T498 WeakPolarHBondContact O-CB 3.4Å; A495-T498 PolarHBondContact O-N 2.95Å; A495-T498 VanDerWaalsContact O-N 3.1Å; A495-T498 PolarHBondContact O-OG1 2.85Å; A496-T498 VanDerWaalsContact C-N 3.28Å; A496-T498 PolarHBondContact O-N 3.36Å; T498-L500 PolarHBondContact O-N 3.26Å; T498-L500 VanDerWaalsContact O-N 3.15Å; T498-M501 PolarHBondContact O-N 3.5Å; T498-M501 VanDerWaalsContact O-N 3.14Å; T498-K502 PolarHBondContact O-N 2.7Å; T498-L505 HydrophobicContact CG2-CD1 3.52Å
499	S	92.1	Very high	92.9	Very high	80 Å²	80	47.4 Å²	47.4	56%	0.559	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-60.3	-23.9	176.5	70.2	0	0	0	0	113.5	A496 E497 M501	A496-S499 WeakPolarHBondContact O-CB 3.38Å; A496-S499 PolarHBondContact O-N 2.87Å; A496-S499 PolarHBondContact O-OG 3.46Å; E497-S499 PolarHBondContact O-N 3.09Å; S499-M501 PolarHBondContact O-N 3.26Å
500	L	92.6	Very high	92.9	Very high	94 Å²	94	53.3 Å²	53.3	49%	0.492	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-73.4	-14.1	180	-59.7	177.7	0	0	0	113.5	E497 T498 P520 V531	E497-L500 WeakPolarHBondContact O-CB 3.48Å; E497-L500 PolarHBondContact O-N 2.97Å; E497-L500 VanDerWaalsContact O-N 3.12Å; T498-L500 PolarHBondContact O-N 3.26Å; T498-L500 VanDerWaalsContact O-N 3.15Å; L500-P520 HydrophobicContact CD1-CB 4.45Å; L500-P520 HydrophobicContact CD1-CG 4.09Å; L500-V531 HydrophobicContact CD1-CG1 4.36Å
501	M	94.8	Very high	93	Very high	7 Å²	7	56 Å²	56	3%	0.034	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-138.6	23.6	-176.2	61	173	66.3	0	0	113	T498 S499 E503 E504 L505 Q519 P520 W667	T498-M501 PolarHBondContact O-N 3.5Å; T498-M501 VanDerWaalsContact O-N 3.14Å; S499-M501 PolarHBondContact O-N 3.26Å; M501-E503 PolarHBondContact O-N 3.38Å; M501-E504 VanDerWaalsContact CA-OE2 3.25Å; M501-E504 WeakPolarHBondContact CA-OE2 3.41Å; M501-E504 PolarHBondContact O-N 3.06Å; M501-L505 HydrophobicContact CG-CD1 3.77Å; M501-L505 HydrophobicContact CG-CG 4.15Å; M501-L505 WeakPolarHBondContact O-CB 3.42Å; M501-L505 VanDerWaalsContact O-CG 3.31Å; M501-L505 WeakPolarHBondContact O-CG 3.48Å; M501-L505 PolarHBondContact O-N 3.29Å; M501-L505 HydrophobicContact SD-CD1 4.05Å; M501-L505 HydrophobicContact SD-CG 4.27Å; M501-Q519 VanDerWaalsContact CE-C 3.44Å; M501-P520 HydrophobicContact CE-CB 3.55Å; M501-P520 HydrophobicContact CE-CG 4.28Å; M501-W667 HydrophobicContact CB-CZ2 3.88Å; M501-W667 HydrophobicContact CG-CZ2 4.4Å; M501-W667 HydrophobicContact SD-CH2 4.28Å; M501-W667 HydrophobicContact SD-CZ2 3.91Å
502	K	95.3	Very high	93.4	Very high	72 Å²	72	54.7 Å²	54.7	31%	0.313	29%	0.291	S	S	.	.	H	α-helix	trans	-61.8	-44	-172.1	178.6	171.6	171.7	163.3	0	112	L473 S474 T498 L505 L506	L473-K502 WeakPolarHBondContact O-CE 3.44Å; L473-K502 PolarHBondContact O-NZ 3.08Å; S474-K502 PolarHBondContact O-NZ 3.06Å; T498-K502 PolarHBondContact O-N 2.7Å; K502-L505 PolarHBondContact O-N 3.11Å; K502-L506 HydrophobicContact CG-CD1 4.16Å; K502-L506 VanDerWaalsContact O-CG 3.27Å; K502-L506 WeakPolarHBondContact O-CG 3.25Å; K502-L506 PolarHBondContact O-N 3.18Å
503	E	96.3	Very high	94.1	Very high	125 Å²	125	51 Å²	51	58%	0.584	27%	0.271	S	S	*	.	H	α-helix	trans	-68.5	-38.5	-177.6	-66.8	-55.5	134.9	0	0	112	M501 L506 R507	M501-E503 PolarHBondContact O-N 3.38Å; E503-L506 PolarHBondContact O-N 3.05Å; E503-R507 WeakPolarHBondContact O-CB 3.39Å; E503-R507 PolarHBondContact O-N 3.2Å
504	E	97.3	Very high	94.7	Very high	70 Å²	70	45.5 Å²	45.5	33%	0.327	24%	0.235	S	C	.	.	H	α-helix	trans	-65.7	-43.3	176.4	-63.3	85.1	169.7	0	0	111.4	M501 R507 V508 W667	M501-E504 VanDerWaalsContact CA-OE2 3.25Å; M501-E504 WeakPolarHBondContact CA-OE2 3.41Å; M501-E504 PolarHBondContact O-N 3.06Å; E504-R507 PolarHBondContact O-N 3.37Å; E504-V508 WeakPolarHBondContact O-CG1 3.22Å; E504-V508 PolarHBondContact O-N 2.82Å; E504-V508 VanDerWaalsContact O-N 3.1Å; E504-W667 HydrophobicContact CB-CD2 3.56Å; E504-W667 VanDerWaalsContact CB-CE2 3.42Å; E504-W667 HydrophobicContact CB-CE3 3.83Å; E504-W667 HydrophobicContact CB-CG 4.16Å; E504-W667 HydrophobicContact CB-CH2 3.91Å; E504-W667 HydrophobicContact CB-CZ2 3.64Å; E504-W667 HydrophobicContact CB-CZ3 3.98Å; E504-W667 HydrophobicContact CG-CD2 4.01Å; E504-W667 HydrophobicContact CG-CG 4.07Å; E504-W667 HydrophobicContact CG-CZ2 4.44Å
505	L	97.6	Very high	95.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-45.2	174	-72.5	171.4	0	0	0	111.6	L473 T498 M501 K502 R507 V508 N509 T515 L547 W667	L473-L505 HydrophobicContact CD1-CB 3.91Å; L473-L505 HydrophobicContact CD2-CB 4.49Å; L473-L505 HydrophobicContact CD2-CD1 4.26Å; T498-L505 HydrophobicContact CG2-CD1 3.52Å; M501-L505 HydrophobicContact CG-CD1 3.77Å; M501-L505 HydrophobicContact CG-CG 4.15Å; M501-L505 WeakPolarHBondContact O-CB 3.42Å; M501-L505 VanDerWaalsContact O-CG 3.31Å; M501-L505 WeakPolarHBondContact O-CG 3.48Å; M501-L505 PolarHBondContact O-N 3.29Å; M501-L505 HydrophobicContact SD-CD1 4.05Å; M501-L505 HydrophobicContact SD-CG 4.27Å; K502-L505 PolarHBondContact O-N 3.11Å; L505-R507 VanDerWaalsContact C-N 3.3Å; L505-R507 PolarHBondContact O-N 3.07Å; L505-V508 WeakPolarHBondContact O-CG2 3.4Å; L505-V508 PolarHBondContact O-N 3.43Å; L505-N509 WeakPolarHBondContact O-CB 3.48Å; L505-N509 PolarHBondContact O-N 3.15Å; L505-N509 PolarHBondContact O-ND2 3.44Å; L505-T515 HydrophobicContact CD2-CG2 3.88Å; L505-L547 HydrophobicContact CD2-CD1 3.82Å; L505-W667 HydrophobicContact CD2-CH2 3.74Å; L505-W667 HydrophobicContact CD2-CZ3 4.37Å; L505-W667 HydrophobicContact CG-CH2 3.98Å
506	L	96.9	Very high	95.5	Very high	6 Å²	6	41 Å²	41	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-58.3	-44.2	176.5	-75.2	171.2	0	0	0	111.6	E470 L473 K502 E503 R510	E470-L506 HydrophobicContact CG-CD2 3.75Å; E470-L506 WeakPolarHBondContact O-CD2 3.1Å; L473-L506 HydrophobicContact CB-CD2 3.72Å; L473-L506 HydrophobicContact CB-CG 4.34Å; K502-L506 HydrophobicContact CG-CD1 4.16Å; K502-L506 VanDerWaalsContact O-CG 3.27Å; K502-L506 WeakPolarHBondContact O-CG 3.25Å; K502-L506 PolarHBondContact O-N 3.18Å; E503-L506 PolarHBondContact O-N 3.05Å; L506-R510 VanDerWaalsContact O-CG 3.29Å; L506-R510 WeakPolarHBondContact O-CG 3.44Å; L506-R510 PolarHBondContact O-N 3.24Å
507	R	96.3	Very high	95.9	Very high	82 Å²	82	39.7 Å²	39.7	31%	0.309	19%	0.192	S	C	.	.	H	α-helix	trans	-60.1	-49.4	178.8	-178.3	-173	62.6	145.2	4.4	111.8	E503 E504 L505 R510 L511 W667 E671	E503-R507 WeakPolarHBondContact O-CB 3.39Å; E503-R507 PolarHBondContact O-N 3.2Å; E504-R507 PolarHBondContact O-N 3.37Å; L505-R507 VanDerWaalsContact C-N 3.3Å; L505-R507 PolarHBondContact O-N 3.07Å; R507-R510 PolarHBondContact O-N 2.9Å; R507-L511 WeakPolarHBondContact O-CG 3.39Å; R507-W667 PolarHBondContact NH2-O 2.91Å; R507-E671 IonicContact CZ-OE1 3.19Å; R507-E671 IonicContact NE-OE1 3.82Å; R507-E671 IonicContact NH1-OE1 2.74Å; R507-E671 PolarHBondContact NH1-OE1 3.24Å; R507-E671 IonicContact NH1-OE2 3.18Å; R507-E671 IonicContact NH2-OE1 2.77Å
508	V	96.9	Very high	96.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-71.7	-35.3	-176.1	-56.4	0	0	0	0	112.3	E504 L505 R510 L511 G512 I513 T515 W667 V670	E504-V508 WeakPolarHBondContact O-CG1 3.22Å; E504-V508 PolarHBondContact O-N 2.82Å; E504-V508 VanDerWaalsContact O-N 3.1Å; L505-V508 WeakPolarHBondContact O-CG2 3.4Å; L505-V508 PolarHBondContact O-N 3.43Å; V508-R510 VanDerWaalsContact C-N 3.33Å; V508-R510 PolarHBondContact O-N 3.04Å; V508-L511 PolarHBondContact O-N 3Å; V508-G512 PolarHBondContact O-N 3.38Å; V508-I513 HydrophobicContact CB-CB 3.88Å; V508-I513 HydrophobicContact CB-CG1 4.22Å; V508-I513 HydrophobicContact CB-CG2 4.15Å; V508-I513 HydrophobicContact CG2-CB 4.21Å; V508-I513 HydrophobicContact CG2-CG2 4.11Å; V508-I513 WeakPolarHBondContact O-CB 3.31Å; V508-I513 PolarHBondContact O-N 3.12Å; V508-I513 VanDerWaalsContact O-N 3.1Å; V508-T515 HydrophobicContact CG2-CG2 4.04Å; V508-W667 HydrophobicContact CG1-CE3 4.08Å; V508-W667 HydrophobicContact CG1-CZ3 4.14Å; V508-W667 HydrophobicContact CG2-CZ3 4.18Å; V508-V670 HydrophobicContact CB-CG1 4.29Å; V508-V670 HydrophobicContact CG1-CB 4.23Å; V508-V670 HydrophobicContact CG1-CG1 3.73Å; V508-V670 HydrophobicContact CG1-CG2 4.36Å
509	N	97.4	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65	-36.2	176.9	-80.7	-91.1	0	0	0	112.3	F469 L473 L505 L511 G512 I513 L514 T515	F469-N509 HydrophobicContact CB-CB 4.38Å; F469-N509 WeakPolarHBondContact CB-OD1 3.35Å; L473-N509 HydrophobicContact CD1-CB 4.37Å; L473-N509 VanDerWaalsContact CD1-ND2 3.3Å; L473-N509 WeakPolarHBondContact CD1-ND2 3.28Å; L505-N509 WeakPolarHBondContact O-CB 3.48Å; L505-N509 PolarHBondContact O-N 3.15Å; L505-N509 PolarHBondContact O-ND2 3.44Å; N509-L511 PolarHBondContact O-N 2.82Å; N509-G512 PolarHBondContact O-N 2.73Å; N509-I513 VanDerWaalsContact CA-O 3.32Å; N509-I513 WeakPolarHBondContact CA-O 3.34Å; N509-I513 VanDerWaalsContact CG-O 3.29Å; N509-I513 PolarHBondContact OD1-O 3.48Å; N509-L514 WeakPolarHBondContact OD1-CA 3.5Å; N509-T515 PolarHBondContact ND2-OG1 3.09Å; N509-T515 PolarHBondContact OD1-N 2.91Å; N509-T515 PolarHBondContact OD1-OG1 2.87Å
510	R	95.4	Very high	96.8	Very high	127 Å²	127	34.9 Å²	34.9	48%	0.479	16%	0.162	S	C	.	.	H	α-helix	trans	-60.5	-26.3	172.8	-74	170.5	-177.6	143.3	8.6	113.3	E470 L506 R507 V508	E470-R510 VanDerWaalsContact CD-NE 3.28Å; E470-R510 HydrophobicContact CG-CG 4.12Å; E470-R510 IonicContact OE1-CZ 2.73Å; E470-R510 IonicContact OE1-NE 3.34Å; E470-R510 PolarHBondContact OE1-NE 3.41Å; E470-R510 IonicContact OE1-NH2 3.56Å; E470-R510 PolarHBondContact OE1-NH2 3.44Å; E470-R510 IonicContact OE2-NE 3.13Å; L506-R510 VanDerWaalsContact O-CG 3.29Å; L506-R510 WeakPolarHBondContact O-CG 3.44Å; L506-R510 PolarHBondContact O-N 3.24Å; R507-R510 PolarHBondContact O-N 2.9Å; V508-R510 VanDerWaalsContact C-N 3.33Å; V508-R510 PolarHBondContact O-N 3.04Å
511	L	94.7	Very high	97	Very high	71 Å²	71	32.6 Å²	32.6	37%	0.372	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	4	-178.5	-60.4	173.8	0	0	0	113.2	R507 V508 N509 F674	R507-L511 WeakPolarHBondContact O-CG 3.39Å; V508-L511 PolarHBondContact O-N 3Å; N509-L511 PolarHBondContact O-N 2.82Å; L511-F674 HydrophobicContact CB-CD2 4.39Å; L511-F674 HydrophobicContact CB-CE1 3.88Å; L511-F674 HydrophobicContact CB-CE2 3.7Å; L511-F674 HydrophobicContact CB-CZ 3.43Å; L511-F674 VanDerWaalsContact CB-CZ 3.43Å; L511-F674 HydrophobicContact CD1-CD2 3.85Å; L511-F674 HydrophobicContact CD1-CE2 3.93Å; L511-F674 HydrophobicContact CD1-CG 4.26Å; L511-F674 HydrophobicContact CD1-CZ 4.4Å; L511-F674 HydrophobicContact CG-CE2 4.45Å; L511-F674 HydrophobicContact CG-CZ 4.48Å; L511-F674 WeakPolarHBondContact O-CE1 3.46Å; L511-F674 WeakPolarHBondContact O-CZ 3.18Å
512	G	96.1	Very high	97.1	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	18.2	180	0	0	0	0	0	115	V508 N509 T551	V508-G512 PolarHBondContact O-N 3.38Å; N509-G512 PolarHBondContact O-N 2.73Å; G512-T551 PolarHBondContact O-OG1 3.04Å
513	I	98.1	Very high	97.2	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	16%	0.159	C	C	.	.			trans	-94.3	88.6	165.8	-54.2	-61.1	0	0	0	107.5	V508 N509 T515 F549 I555 V670 F674	V508-I513 HydrophobicContact CB-CB 3.88Å; V508-I513 HydrophobicContact CB-CG1 4.22Å; V508-I513 HydrophobicContact CB-CG2 4.15Å; V508-I513 HydrophobicContact CG2-CB 4.21Å; V508-I513 HydrophobicContact CG2-CG2 4.11Å; V508-I513 WeakPolarHBondContact O-CB 3.31Å; V508-I513 PolarHBondContact O-N 3.12Å; V508-I513 VanDerWaalsContact O-N 3.1Å; N509-I513 VanDerWaalsContact CA-O 3.32Å; N509-I513 WeakPolarHBondContact CA-O 3.34Å; N509-I513 VanDerWaalsContact CG-O 3.29Å; N509-I513 PolarHBondContact OD1-O 3.48Å; I513-T515 HydrophobicContact CG2-CG2 4.32Å; I513-T515 PolarHBondContact O-N 3.17Å; I513-T515 VanDerWaalsContact O-N 3.14Å; I513-F549 HydrophobicContact CB-CD2 4.42Å; I513-F549 HydrophobicContact CD1-CD2 4.35Å; I513-F549 HydrophobicContact CD1-CE2 3.95Å; I513-F549 HydrophobicContact CG2-CB 3.84Å; I513-F549 HydrophobicContact CG2-CD1 3.71Å; I513-F549 HydrophobicContact CG2-CD2 3.51Å; I513-F549 HydrophobicContact CG2-CE1 4.05Å; I513-F549 HydrophobicContact CG2-CE2 3.86Å; I513-F549 HydrophobicContact CG2-CG 3.41Å; I513-F549 VanDerWaalsContact CG2-CG 3.41Å; I513-F549 HydrophobicContact CG2-CZ 4.11Å; I513-I555 HydrophobicContact CD1-CG2 3.72Å; I513-V670 HydrophobicContact CG1-CG1 4.03Å; I513-F674 HydrophobicContact CD1-CE2 4.15Å; I513-F674 HydrophobicContact CD1-CZ 4.22Å; I513-F674 HydrophobicContact CG1-CE2 3.89Å; I513-F674 HydrophobicContact CG1-CZ 4.14Å
514	L	98.4	Very high	97.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	90.7	-169.5	-56.1	-177.1	0	0	0	111.3	V465 F466 F469 N509 F549 F550 W625 Y650	V465-L514 HydrophobicContact CG1-CD1 4.27Å; F466-L514 HydrophobicContact CB-CD2 4.21Å; F466-L514 HydrophobicContact CD1-CD1 3.94Å; F466-L514 HydrophobicContact CD1-CD2 3.53Å; F466-L514 HydrophobicContact CD1-CG 4.15Å; F466-L514 HydrophobicContact CE1-CD1 4.02Å; F466-L514 HydrophobicContact CE1-CD2 4.2Å; F466-L514 HydrophobicContact CE1-CG 4.38Å; F466-L514 HydrophobicContact CG-CD2 4.05Å; F469-L514 HydrophobicContact CB-CD2 4.41Å; F469-L514 HydrophobicContact CD1-CB 3.97Å; F469-L514 HydrophobicContact CD1-CD2 4.5Å; F469-L514 HydrophobicContact CD2-CD2 4.15Å; F469-L514 HydrophobicContact CE1-CB 3.7Å; F469-L514 HydrophobicContact CE2-CB 4.32Å; F469-L514 HydrophobicContact CE2-CD1 4.19Å; F469-L514 HydrophobicContact CG-CB 4.38Å; F469-L514 HydrophobicContact CG-CD2 4.12Å; F469-L514 HydrophobicContact CZ-CB 3.87Å; F469-L514 HydrophobicContact CZ-CD1 4.36Å; N509-L514 WeakPolarHBondContact OD1-CA 3.5Å; L514-F549 CarbonylContact O-C 3.51Å; L514-F549 WeakPolarHBondContact O-CA 3.26Å; L514-F549 VanDerWaalsContact O-CB 3.3Å; L514-F549 WeakPolarHBondContact O-CB 3.41Å; L514-F550 HydrophobicContact CB-CB 4.27Å; L514-F550 WeakPolarHBondContact CB-O 3.3Å; L514-F550 PolarHBondContact N-O 3.15Å; L514-F550 PolarHBondContact O-N 3.07Å; L514-W625 HydrophobicContact CD1-CH2 4.06Å; L514-W625 HydrophobicContact CD1-CZ2 4.31Å; L514-Y650 HydrophobicContact CD1-CE2 4.22Å
515	T	98.4	Very high	97.2	Very high	9 Å²	9	28.6 Å²	28.6	6%	0.055	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	134.3	-170.6	60.8	0	0	0	0	112.3	L505 V508 N509 I513 L547 E548 F549	L505-T515 HydrophobicContact CD2-CG2 3.88Å; V508-T515 HydrophobicContact CG2-CG2 4.04Å; N509-T515 PolarHBondContact ND2-OG1 3.09Å; N509-T515 PolarHBondContact OD1-N 2.91Å; N509-T515 PolarHBondContact OD1-OG1 2.87Å; I513-T515 HydrophobicContact CG2-CG2 4.32Å; I513-T515 PolarHBondContact O-N 3.17Å; I513-T515 VanDerWaalsContact O-N 3.14Å; T515-L547 HydrophobicContact CG2-CD1 3.83Å; T515-L547 HydrophobicContact CG2-CG 4.44Å; T515-E548 WeakPolarHBondContact CA-O 3.34Å; T515-F549 HydrophobicContact CG2-CB 4.13Å
516	I	98	Very high	97.2	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.041	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-17.6	177.8	64.3	173.6	0	0	0	113	F469 W489 N490 E548 F550 W617 L652	F469-I516 HydrophobicContact CE1-CG2 4.08Å; W489-I516 HydrophobicContact CB-CB 4.08Å; W489-I516 HydrophobicContact CB-CG2 4.25Å; W489-I516 HydrophobicContact CD2-CB 4.34Å; W489-I516 HydrophobicContact CD2-CG2 3.57Å; W489-I516 HydrophobicContact CE3-CG2 3.61Å; W489-I516 HydrophobicContact CG-CB 4.08Å; W489-I516 HydrophobicContact CG-CD1 4.25Å; W489-I516 HydrophobicContact CG-CG2 3.84Å; W489-I516 HydrophobicContact CZ3-CG2 4.31Å; N490-I516 PolarHBondContact ND2-O 2.91Å; N490-I516 PolarHBondContact OD1-O 3.34Å; I516-E548 HydrophobicContact CD1-CG 4.19Å; I516-E548 HydrophobicContact CG1-CB 4.41Å; I516-E548 HydrophobicContact CG1-CG 3.95Å; I516-E548 PolarHBondContact N-O 3.02Å; I516-F550 HydrophobicContact CD1-CD2 4.45Å; I516-F550 HydrophobicContact CD1-CE2 3.92Å; I516-F550 HydrophobicContact CG2-CD2 4.09Å; I516-F550 HydrophobicContact CG2-CE2 4.22Å; I516-W617 HydrophobicContact CD1-CZ2 4.11Å; I516-L652 HydrophobicContact CD1-CD1 3.83Å
517	N	98.4	Very high	97.2	Very high	23 Å²	23	31.5 Å²	31.5	12%	0.123	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	145.4	178.9	-166.1	0.2	0	0	0	111.1	I399 Y546 E548	I399-N517 PolarHBondContact O-ND2 3.1Å; I399-N517 VanDerWaalsContact O-ND2 3.08Å; N517-Y546 HydrophobicContact CB-CE1 4.02Å; N517-E548 HydrophobicContact CB-CB 4.03Å; N517-E548 PolarHBondContact N-O 3.44Å; N517-E548 PolarHBondContact O-N 2.86Å
518	S	97.8	Very high	97	Very high	14 Å²	14	31.4 Å²	31.4	10%	0.098	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	148.6	-178	62.3	0	0	0	0	111.4	Y546	S518-Y546 VanDerWaalsContact CA-O 3.32Å; S518-Y546 WeakPolarHBondContact CA-O 3.38Å
519	Q	97.7	Very high	96.9	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.047	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	146.9	164.3	55.2	166.9	52.5	0	0	110.9	I399 M501 K544 A545 Y546 V593 T594	I399-Q519 HydrophobicContact CD1-CG 4.04Å; M501-Q519 VanDerWaalsContact CE-C 3.44Å; Q519-K544 PolarHBondContact NE2-O 3.01Å; Q519-A545 WeakPolarHBondContact O-CA 3.45Å; Q519-Y546 PolarHBondContact N-O 3.03Å; Q519-Y546 PolarHBondContact O-N 2.95Å; Q519-V593 PolarHBondContact NE2-O 3.28Å; Q519-V593 VanDerWaalsContact NE2-O 3.15Å; Q519-T594 PolarHBondContact NE2-OG1 3.04Å; Q519-T594 PolarHBondContact OE1-OG1 3.09Å; Q519-T594 VanDerWaalsContact OE1-OG1 3.06Å
520	P	97.4	Very high	96.6	Very high	8 Å²	8	38 Å²	38	5%	0.052	21%	0.213	C	C	.	.			trans	-70.9	162	176.2	29.5	-33.4	0	0	0	111.6	E497 L500 M501 V522 Q543	E497-P520 HydrophobicContact CB-CG 4.15Å; L500-P520 HydrophobicContact CD1-CB 4.45Å; L500-P520 HydrophobicContact CD1-CG 4.09Å; M501-P520 HydrophobicContact CE-CB 3.55Å; M501-P520 HydrophobicContact CE-CG 4.28Å; P520-V522 HydrophobicContact CG-CG2 4.48Å; P520-Q543 VanDerWaalsContact O-CB 3.27Å; P520-Q543 WeakPolarHBondContact O-CB 3.43Å; P520-Q543 PolarHBondContact O-OE1 2.93Å
521	N	97.3	Very high	96.5	Very high	46 Å²	46	34.1 Å²	34.1	25%	0.246	20%	0.203	C	C	.	.			trans	-76.7	139.3	161.6	62	-54	0	0	0	109.9	Q543 A545 F660 L662	N521-Q543 CarbonylContact C-O 3.56Å; N521-Q543 VanDerWaalsContact CA-O 3.26Å; N521-Q543 WeakPolarHBondContact CA-O 3.33Å; N521-A545 HydrophobicContact CB-CB 4.06Å; N521-F660 PolarHBondContact ND2-O 2.9Å; N521-L662 PolarHBondContact ND2-O 3.35Å
522	V	97.4	Very high	96.5	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.036	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.3	178.2	173	0	0	0	0	108.4	P520 K525 V532 V541 F542 Q543	P520-V522 HydrophobicContact CG-CG2 4.48Å; V522-K525 HydrophobicContact CG1-CB 3.73Å; V522-K525 HydrophobicContact CG1-CD 3.83Å; V522-K525 HydrophobicContact CG1-CG 3.78Å; V522-V532 HydrophobicContact CG1-CG2 4.24Å; V522-V532 HydrophobicContact CG2-CB 4.39Å; V522-V532 HydrophobicContact CG2-CG1 4.13Å; V522-V532 HydrophobicContact CG2-CG2 4.11Å; V522-V541 WeakPolarHBondContact CG1-O 3.48Å; V522-F542 VanDerWaalsContact O-CA 3.28Å; V522-F542 WeakPolarHBondContact O-CA 3.44Å; V522-Q543 HydrophobicContact CB-CB 3.92Å; V522-Q543 HydrophobicContact CB-CG 4.24Å; V522-Q543 HydrophobicContact CG2-CB 4.18Å; V522-Q543 HydrophobicContact CG2-CG 4.32Å; V522-Q543 PolarHBondContact N-O 3.02Å; V522-Q543 PolarHBondContact O-N 3.42Å
523	N	97.3	Very high	96.5	Very high	94 Å²	94	32 Å²	32	50%	0.503	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	85.6	179	-176.9	13.9	0	0	0	110.7	K525 L661	N523-K525 PolarHBondContact O-N 3.21Å; N523-L661 VanDerWaalsContact ND2-CD2 3.33Å; N523-L661 WeakPolarHBondContact ND2-CD2 3.25Å; N523-L661 WeakPolarHBondContact OD1-CD2 3.5Å
524	G	96.7	Very high	96.3	Very high	19 Å²	19	32.1 Å²	32.1	20%	0.196	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.2	46.9	168.9	0	0	0	0	0	114	Y540 V541 F542	G524-Y540 WeakPolarHBondContact O-CD1 3.36Å; G524-V541 VanDerWaalsContact CA-O 3.28Å; G524-V541 WeakPolarHBondContact CA-O 3.43Å; G524-V541 PolarHBondContact N-O 3.29Å; G524-F542 VanDerWaalsContact N-CD1 3.25Å; G524-F542 VanDerWaalsContact N-CE1 3.27Å
525	K	97.3	Very high	96	Very high	71 Å²	71	32.6 Å²	32.6	31%	0.309	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	153.1	171.7	-83.9	-179.1	156.6	-148.2	0	110.8	V522 N523 D529 V532 Y540 V541	V522-K525 HydrophobicContact CG1-CB 3.73Å; V522-K525 HydrophobicContact CG1-CD 3.83Å; V522-K525 HydrophobicContact CG1-CG 3.78Å; N523-K525 PolarHBondContact O-N 3.21Å; K525-D529 HydrophobicContact CB-CB 4.44Å; K525-D529 WeakPolarHBondContact CD-OD2 3.23Å; K525-D529 WeakPolarHBondContact CE-OD2 3.27Å; K525-D529 IonicContact NZ-OD1 3.61Å; K525-D529 IonicContact NZ-OD2 3.51Å; K525-D529 PolarHBondContact NZ-OD2 3.48Å; K525-V532 HydrophobicContact CB-CG2 4.29Å; K525-V532 HydrophobicContact CD-CG2 3.6Å; K525-Y540 CarbonylContact O-C 3.49Å; K525-Y540 VanDerWaalsContact O-CA 3.26Å; K525-Y540 WeakPolarHBondContact O-CA 2.9Å; K525-V541 HydrophobicContact CB-CG2 4.22Å; K525-V541 PolarHBondContact N-O 3.41Å; K525-V541 VanDerWaalsContact N-O 3.12Å; K525-V541 PolarHBondContact O-N 3.1Å
526	P	97.7	Very high	95.5	Very high	66 Å²	66	33.9 Å²	33.9	43%	0.429	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	141.2	173.8	-24.1	34.1	0	0	0	111.5	S528 D529	P526-S528 PolarHBondContact O-N 3.16Å; P526-D529 VanDerWaalsContact O-CB 3.25Å; P526-D529 WeakPolarHBondContact O-CB 3.38Å; P526-D529 PolarHBondContact O-N 3.19Å
527	S	95.5	Very high	95.1	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.021	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-14	176.8	61.7	0	0	0	0	114.2	G533 W534 P536 G538 G539	S527-G533 CarbonylContact O-C 3.47Å; S527-G533 VanDerWaalsContact O-C 3.31Å; S527-G533 WeakPolarHBondContact O-CA 3.44Å; S527-W534 WeakPolarHBondContact CB-O 3.45Å; S527-W534 PolarHBondContact O-N 3.37Å; S527-W534 VanDerWaalsContact O-N 3.08Å; S527-P536 VanDerWaalsContact CB-O 3.31Å; S527-P536 WeakPolarHBondContact CB-O 3.22Å; S527-P536 PolarHBondContact OG-O 2.84Å; S527-G538 PolarHBondContact OG-N 2.63Å; S527-G539 PolarHBondContact N-O 3.45Å; S527-G539 PolarHBondContact OG-N 2.9Å; S527-G539 VanDerWaalsContact OG-N 3.09Å
528	S	93.3	Very high	94.8	Very high	79 Å²	79	38.4 Å²	38.4	55%	0.552	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	10.3	173.4	62.9	0	0	0	0	113.8	P526	P526-S528 PolarHBondContact O-N 3.16Å
529	D	94.9	Very high	94.7	Very high	28 Å²	28	37.8 Å²	37.8	15%	0.15	25%	0.248	C	C	.	.			trans	-59.1	131	174.6	-179.9	-72.2	0	0	0	109.8	K525 P526 V531 V532 G533	K525-D529 HydrophobicContact CB-CB 4.44Å; K525-D529 WeakPolarHBondContact CD-OD2 3.23Å; K525-D529 WeakPolarHBondContact CE-OD2 3.27Å; K525-D529 IonicContact NZ-OD1 3.61Å; K525-D529 IonicContact NZ-OD2 3.51Å; K525-D529 PolarHBondContact NZ-OD2 3.48Å; P526-D529 VanDerWaalsContact O-CB 3.25Å; P526-D529 WeakPolarHBondContact O-CB 3.38Å; P526-D529 PolarHBondContact O-N 3.19Å; D529-V531 PolarHBondContact O-N 2.93Å; D529-V531 WeakPolarHBondContact OD1-CA 3.37Å; D529-V531 WeakPolarHBondContact OD1-CB 3.31Å; D529-V531 PolarHBondContact OD1-N 3.21Å; D529-V532 HydrophobicContact CB-CG2 4.18Å; D529-V532 PolarHBondContact OD1-N 3.45Å; D529-G533 WeakPolarHBondContact O-CA 3.03Å; D529-G533 PolarHBondContact O-N 2.93Å
530	P	91.4	Very high	94.7	Very high	112 Å²	112	43.6 Å²	43.6	73%	0.727	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.7	-173.2	28.5	-35.6	0	0	0	113.8
531	V	93.2	Very high	94.7	Very high	45 Å²	45	43.3 Å²	43.3	27%	0.273	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-48.1	-177	-175.4	0	0	0	0	110.7	A496 E497 L500 D529	A496-V531 HydrophobicContact CB-CG1 4.02Å; E497-V531 HydrophobicContact CB-CG1 4.08Å; L500-V531 HydrophobicContact CD1-CG1 4.36Å; D529-V531 PolarHBondContact O-N 2.93Å; D529-V531 WeakPolarHBondContact OD1-CA 3.37Å; D529-V531 WeakPolarHBondContact OD1-CB 3.31Å; D529-V531 PolarHBondContact OD1-N 3.21Å
532	V	94.9	Very high	94.7	Very high	8 Å²	8	42.6 Å²	42.6	5%	0.048	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-0.8	-172	-60.1	0	0	0	0	114	E497 V522 K525 D529 V541	E497-V532 HydrophobicContact CB-CG1 3.96Å; V522-V532 HydrophobicContact CG1-CG2 4.24Å; V522-V532 HydrophobicContact CG2-CB 4.39Å; V522-V532 HydrophobicContact CG2-CG1 4.13Å; V522-V532 HydrophobicContact CG2-CG2 4.11Å; K525-V532 HydrophobicContact CB-CG2 4.29Å; K525-V532 HydrophobicContact CD-CG2 3.6Å; D529-V532 HydrophobicContact CB-CG2 4.18Å; D529-V532 PolarHBondContact OD1-N 3.45Å; V532-V541 HydrophobicContact CG2-CG2 4.27Å
533	G	94.5	Very high	94.8	Very high	18 Å²	18	42.7 Å²	42.7	19%	0.186	26%	0.264	C	S	.	.			trans	-71.9	140.2	-176.6	0	0	0	0	0	113.2	S527 D529	S527-G533 CarbonylContact O-C 3.47Å; S527-G533 VanDerWaalsContact O-C 3.31Å; S527-G533 WeakPolarHBondContact O-CA 3.44Å; D529-G533 WeakPolarHBondContact O-CA 3.03Å; D529-G533 PolarHBondContact O-N 2.93Å
534	W	94.9	Very high	94.9	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.027	25%	0.245	C	C	.	.			trans	-156.7	164.6	174.5	59.7	-89.2	0	0	0	110.4	R379 L381 P382 S527 V541 T594 F598 I604 P606	R379-W534 WeakPolarHBondContact O-CA 3.31Å; R379-W534 WeakPolarHBondContact O-CB 3.48Å; L381-W534 HydrophobicContact CD2-CE3 4.18Å; L381-W534 HydrophobicContact CD2-CZ3 3.98Å; P382-W534 HydrophobicContact CG-CD2 3.97Å; P382-W534 HydrophobicContact CG-CG 3.96Å; P382-W534 HydrophobicContact CG-CZ2 4.5Å; S527-W534 WeakPolarHBondContact CB-O 3.45Å; S527-W534 PolarHBondContact O-N 3.37Å; S527-W534 VanDerWaalsContact O-N 3.08Å; W534-V541 HydrophobicContact CD2-CG1 4.26Å; W534-V541 HydrophobicContact CG-CG1 4.29Å; W534-V541 HydrophobicContact CZ2-CG1 4.34Å; W534-T594 HydrophobicContact CZ2-CG2 4.21Å; W534-F598 HydrophobicContact CE3-CZ 4.01Å; W534-F598 HydrophobicContact CH2-CE2 4.05Å; W534-F598 HydrophobicContact CH2-CZ 4.1Å; W534-F598 AromaticContact CZ3-CE2 3.86Å; W534-F598 HydrophobicContact CZ3-CE2 3.86Å; W534-F598 AromaticContact CZ3-CZ 3.76Å; W534-F598 HydrophobicContact CZ3-CZ 3.76Å; W534-F598 WeakPolarHBondContact O-CE1 3.31Å; W534-I604 HydrophobicContact CH2-CB 4.01Å; W534-I604 HydrophobicContact CH2-CG2 4.11Å; W534-I604 HydrophobicContact CZ3-CB 4.13Å; W534-I604 HydrophobicContact CZ3-CD1 4.4Å; W534-I604 HydrophobicContact CZ3-CG2 4.02Å; W534-P606 VanDerWaalsContact CH2-CD 3.47Å; W534-P606 HydrophobicContact CH2-CG 3.57Å; W534-P606 HydrophobicContact CZ2-CG 3.72Å; W534-P606 HydrophobicContact CZ3-CG 4.05Å
535	G	91.4	Very high	95	Very high	10 Å²	10	38.6 Å²	38.6	10%	0.103	24%	0.236	C	C	.	.	S	Bend	trans	78.5	-166.7	176.8	0	0	0	0	0	114.4	R379 P380	R379-G535 PolarHBondContact O-N 2.91Å; P380-G535 WeakPolarHBondContact O-CA 3.37Å; P380-G535 PolarHBondContact O-N 3.44Å
536	P	89.2	Confident	95	Very high	36 Å²	36	35.3 Å²	35.3	23%	0.234	22%	0.222	C	C	.	.	S	Bend	trans	-57.5	148.1	-179.4	-26.5	34.6	0	0	0	113.8	S527 F598	S527-P536 VanDerWaalsContact CB-O 3.31Å; S527-P536 WeakPolarHBondContact CB-O 3.22Å; S527-P536 PolarHBondContact OG-O 2.84Å; P536-F598 HydrophobicContact CB-CB 4.39Å; P536-F598 HydrophobicContact CB-CD1 3.9Å; P536-F598 HydrophobicContact CB-CG 4.29Å; P536-F598 HydrophobicContact CG-CB 4.45Å; P536-F598 HydrophobicContact CG-CD1 4.1Å; P536-F598 HydrophobicContact CG-CG 4.17Å; P536-F598 VanDerWaalsContact O-CD1 3.23Å; P536-F598 WeakPolarHBondContact O-CD1 3.35Å; P536-F598 WeakPolarHBondContact O-CE1 3.45Å
537	S	88.9	Confident	95.1	Very high	72 Å²	72	32.2 Å²	32.2	50%	0.503	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	152.9	175.4	27	0	0	0	0	113.2	R378 G539	R378-S537 PolarHBondContact NH1-OG 3.03Å; R378-S537 VanDerWaalsContact NH1-OG 3.09Å; S537-G539 VanDerWaalsContact C-N 3.27Å; S537-G539 PolarHBondContact O-N 3.46Å
538	G	91.4	Very high	95.2	Very high	54 Å²	54	32.1 Å²	32.1	56%	0.557	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	11.2	174.6	0	0	0	0	0	114	S527 P599	S527-G538 PolarHBondContact OG-N 2.63Å; G538-P599 WeakPolarHBondContact O-CD 3.31Å; G538-P599 WeakPolarHBondContact O-CG 3.33Å
539	G	95.7	Very high	95.5	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.021	18%	0.175	C	C	.	.			trans	-96.3	-174.8	172.7	0	0	0	0	0	112.9	S527 S537 I597	S527-G539 PolarHBondContact N-O 3.45Å; S527-G539 PolarHBondContact OG-N 2.9Å; S527-G539 VanDerWaalsContact OG-N 3.09Å; S537-G539 VanDerWaalsContact C-N 3.27Å; S537-G539 PolarHBondContact O-N 3.46Å; G539-I597 CarbonylContact C-O 3.56Å; G539-I597 WeakPolarHBondContact CA-O 3.34Å
540	Y	97.8	Very high	95.7	Very high	132 Å²	132	27 Å²	27	52%	0.518	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.5	177.2	-61.5	-83	0	0	0	110.2	G524 K525 G596 I597	G524-Y540 WeakPolarHBondContact O-CD1 3.36Å; K525-Y540 CarbonylContact O-C 3.49Å; K525-Y540 VanDerWaalsContact O-CA 3.26Å; K525-Y540 WeakPolarHBondContact O-CA 2.9Å; Y540-G596 CarbonylContact O-C 3.41Å; Y540-G596 VanDerWaalsContact O-CA 3.31Å; Y540-G596 WeakPolarHBondContact O-CA 3.38Å; Y540-I597 PolarHBondContact N-O 2.94Å; Y540-I597 PolarHBondContact O-N 3.33Å
541	V	97.9	Very high	96	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	146.7	179.1	-63.4	0	0	0	0	110.7	V522 G524 K525 V532 W534	V522-V541 WeakPolarHBondContact CG1-O 3.48Å; G524-V541 VanDerWaalsContact CA-O 3.28Å; G524-V541 WeakPolarHBondContact CA-O 3.43Å; G524-V541 PolarHBondContact N-O 3.29Å; K525-V541 HydrophobicContact CB-CG2 4.22Å; K525-V541 PolarHBondContact N-O 3.41Å; K525-V541 VanDerWaalsContact N-O 3.12Å; K525-V541 PolarHBondContact O-N 3.1Å; V532-V541 HydrophobicContact CG2-CG2 4.27Å; W534-V541 HydrophobicContact CD2-CG1 4.26Å; W534-V541 HydrophobicContact CG-CG1 4.29Å; W534-V541 HydrophobicContact CZ2-CG1 4.34Å
542	F	98.4	Very high	96.2	Very high	31 Å²	31	20.3 Å²	20.3	14%	0.136	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.7	-175.4	-61.1	-96.1	0	0	0	110.4	V522 G524 T594 W595 I597 F660	V522-F542 VanDerWaalsContact O-CA 3.28Å; V522-F542 WeakPolarHBondContact O-CA 3.44Å; G524-F542 VanDerWaalsContact N-CD1 3.25Å; G524-F542 VanDerWaalsContact N-CE1 3.27Å; F542-T594 WeakPolarHBondContact O-CA 3.21Å; F542-W595 HydrophobicContact CB-CD2 3.79Å; F542-W595 HydrophobicContact CB-CE3 4.41Å; F542-W595 HydrophobicContact CB-CG 4.19Å; F542-W595 HydrophobicContact CB-CH2 4.15Å; F542-W595 HydrophobicContact CB-CZ2 3.51Å; F542-W595 HydrophobicContact CD1-CZ2 4.35Å; F542-W595 AromaticContact CD2-CD1 3.79Å; F542-W595 AromaticContact CD2-NE1 3.46Å; F542-W595 AromaticContact CG-CE2 3.79Å; F542-W595 HydrophobicContact CG-CZ2 4.04Å; F542-W595 AromaticContact CG-NE1 3.45Å; F542-W595 PolarHBondContact N-O 3.26Å; F542-W595 PolarHBondContact O-N 2.91Å; F542-I597 HydrophobicContact CE2-CD1 3.97Å; F542-I597 HydrophobicContact CE2-CG1 4.11Å; F542-F660 HydrophobicContact CD1-CD2 4.38Å; F542-F660 AromaticContact CD1-CE2 3.98Å; F542-F660 HydrophobicContact CD1-CE2 3.98Å; F542-F660 HydrophobicContact CE1-CE2 4.44Å
543	Q	98.6	Very high	96.3	Very high	8 Å²	8	25 Å²	25	4%	0.037	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	140	176.6	-68.4	172.9	-30.2	0	0	110.3	E497 P520 N521 V522 V593 T594 F660	E497-Q543 PolarHBondContact OE2-NE2 2.84Å; E497-Q543 VanDerWaalsContact OE2-NE2 3.16Å; P520-Q543 VanDerWaalsContact O-CB 3.27Å; P520-Q543 WeakPolarHBondContact O-CB 3.43Å; P520-Q543 PolarHBondContact O-OE1 2.93Å; N521-Q543 CarbonylContact C-O 3.56Å; N521-Q543 VanDerWaalsContact CA-O 3.26Å; N521-Q543 WeakPolarHBondContact CA-O 3.33Å; V522-Q543 HydrophobicContact CB-CB 3.92Å; V522-Q543 HydrophobicContact CB-CG 4.24Å; V522-Q543 HydrophobicContact CG2-CB 4.18Å; V522-Q543 HydrophobicContact CG2-CG 4.32Å; V522-Q543 PolarHBondContact N-O 3.02Å; V522-Q543 PolarHBondContact O-N 3.42Å; Q543-V593 CarbonylContact C-O 3.58Å; Q543-V593 VanDerWaalsContact CA-O 3.25Å; Q543-V593 WeakPolarHBondContact CA-O 3.23Å; Q543-T594 HydrophobicContact CG-CG2 3.89Å; Q543-F660 WeakPolarHBondContact O-CB 3.5Å
544	K	98.7	Very high	96.4	Very high	26 Å²	26	29 Å²	29	11%	0.113	16%	0.156	C	C	.	.			trans	-85.4	145.4	160.8	-73.1	177.3	-178.3	-177.2	0	109.1	Q519 N591 V593 W595 V656 D657 N658 F660	Q519-K544 PolarHBondContact NE2-O 3.01Å; K544-N591 PolarHBondContact NZ-OD1 3.16Å; K544-V593 HydrophobicContact CB-CB 4.28Å; K544-V593 HydrophobicContact CB-CG1 4.35Å; K544-V593 HydrophobicContact CD-CG1 4.4Å; K544-V593 PolarHBondContact N-O 3.4Å; K544-W595 HydrophobicContact CD-CZ3 4.49Å; K544-W595 HydrophobicContact CG-CH2 4.22Å; K544-W595 HydrophobicContact CG-CZ3 4.07Å; K544-V656 HydrophobicContact CB-CG1 4.08Å; K544-V656 HydrophobicContact CD-CG1 3.97Å; K544-D657 WeakPolarHBondContact CB-O 3.29Å; K544-N658 PolarHBondContact NZ-OD1 2.82Å; K544-F660 HydrophobicContact CG-CB 4.23Å
545	A	98.5	Very high	96.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	137.1	175.4	0	0	0	0	0	110.2	Q519 N521 V656 D657 N664 L666	Q519-A545 WeakPolarHBondContact O-CA 3.45Å; N521-A545 HydrophobicContact CB-CB 4.06Å; A545-V656 WeakPolarHBondContact O-CA 3.29Å; A545-D657 HydrophobicContact CB-CB 4.18Å; A545-D657 PolarHBondContact O-N 3.46Å; A545-N664 HydrophobicContact CB-CB 4.2Å; A545-L666 HydrophobicContact CB-CD1 4.26Å
546	Y	98.7	Very high	96.9	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.9	-177.7	178.6	-107.1	0	0	0	110.2	I399 F400 N517 S518 Q519 E548 V609 N654 L655 V656	I399-Y546 HydrophobicContact CD1-CD1 3.73Å; I399-Y546 HydrophobicContact CD1-CE1 4.11Å; I399-Y546 HydrophobicContact CD1-CG 3.97Å; I399-Y546 HydrophobicContact CG1-CD1 4.46Å; I399-Y546 HydrophobicContact CG1-CE1 4.38Å; I399-Y546 HydrophobicContact CG2-CD1 4.5Å; I399-Y546 HydrophobicContact CG2-CE1 3.9Å; I399-Y546 HydrophobicContact CG2-CE2 3.88Å; F400-Y546 WeakPolarHBondContact CD1-OH 3.32Å; F400-Y546 WeakPolarHBondContact CE1-OH 3.43Å; N517-Y546 HydrophobicContact CB-CE1 4.02Å; S518-Y546 VanDerWaalsContact CA-O 3.32Å; S518-Y546 WeakPolarHBondContact CA-O 3.38Å; Q519-Y546 PolarHBondContact N-O 3.03Å; Q519-Y546 PolarHBondContact O-N 2.95Å; Y546-E548 HydrophobicContact CE1-CB 3.66Å; Y546-E548 WeakPolarHBondContact OH-CB 3.24Å; Y546-E548 VanDerWaalsContact OH-CD 3.3Å; Y546-E548 PolarHBondContact OH-OE2 2.96Å; Y546-V609 HydrophobicContact CD2-CG2 3.95Å; Y546-V609 HydrophobicContact CE2-CG2 3.72Å; Y546-N654 HydrophobicContact CE2-CB 3.82Å; Y546-L655 WeakPolarHBondContact CA-O 3.12Å; Y546-V656 HydrophobicContact CD2-CG2 3.91Å; Y546-V656 HydrophobicContact CE2-CG2 4.43Å
547	L	98.6	Very high	97.2	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	129.1	173.4	-165.8	68.1	0	0	0	110.2	L505 T515 F549 N654 L655 L666 W667	L505-L547 HydrophobicContact CD2-CD1 3.82Å; T515-L547 HydrophobicContact CG2-CD1 3.83Å; T515-L547 HydrophobicContact CG2-CG 4.44Å; L547-F549 HydrophobicContact CD2-CD1 4.08Å; L547-F549 HydrophobicContact CD2-CE1 4.1Å; L547-F549 HydrophobicContact CG-CD1 3.98Å; L547-F549 HydrophobicContact CG-CE1 4.36Å; L547-N654 CarbonylContact O-C 3.59Å; L547-N654 WeakPolarHBondContact O-CA 3.35Å; L547-L655 PolarHBondContact N-O 3.29Å; L547-L655 PolarHBondContact O-N 3.48Å; L547-L666 HydrophobicContact CB-CD1 3.83Å; L547-W667 HydrophobicContact CD1-CH2 3.97Å; L547-W667 HydrophobicContact CD1-CZ3 4.15Å; L547-W667 HydrophobicContact CD2-CZ3 4.03Å
548	E	98.8	Very high	97.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.7	177.1	-174.5	-179.7	173.8	0	0	111.1	T515 I516 N517 Y546 W617 L652 V653 N654	T515-E548 WeakPolarHBondContact CA-O 3.34Å; I516-E548 HydrophobicContact CD1-CG 4.19Å; I516-E548 HydrophobicContact CG1-CB 4.41Å; I516-E548 HydrophobicContact CG1-CG 3.95Å; I516-E548 PolarHBondContact N-O 3.02Å; N517-E548 HydrophobicContact CB-CB 4.03Å; N517-E548 PolarHBondContact N-O 3.44Å; N517-E548 PolarHBondContact O-N 2.86Å; Y546-E548 HydrophobicContact CE1-CB 3.66Å; Y546-E548 WeakPolarHBondContact OH-CB 3.24Å; Y546-E548 VanDerWaalsContact OH-CD 3.3Å; Y546-E548 PolarHBondContact OH-OE2 2.96Å; E548-W617 PolarHBondContact OE1-NE1 3.25Å; E548-L652 HydrophobicContact CG-CD1 4.12Å; E548-V653 CarbonylContact C-O 3.54Å; E548-V653 VanDerWaalsContact CA-O 3.24Å; E548-V653 WeakPolarHBondContact CA-O 3.33Å; E548-N654 HydrophobicContact CB-CB 4.35Å; E548-N654 HydrophobicContact CG-CB 4.24Å
549	F	98.8	Very high	98	Very high	1 Å²	1	27.5 Å²	27.5	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	158.4	-171.4	59	-92.4	0	0	0	113.7	I513 L514 T515 L547 T551 L559 V653 L655	I513-F549 HydrophobicContact CB-CD2 4.42Å; I513-F549 HydrophobicContact CD1-CD2 4.35Å; I513-F549 HydrophobicContact CD1-CE2 3.95Å; I513-F549 HydrophobicContact CG2-CB 3.84Å; I513-F549 HydrophobicContact CG2-CD1 3.71Å; I513-F549 HydrophobicContact CG2-CD2 3.51Å; I513-F549 HydrophobicContact CG2-CE1 4.05Å; I513-F549 HydrophobicContact CG2-CE2 3.86Å; I513-F549 HydrophobicContact CG2-CG 3.41Å; I513-F549 VanDerWaalsContact CG2-CG 3.41Å; I513-F549 HydrophobicContact CG2-CZ 4.11Å; L514-F549 CarbonylContact O-C 3.51Å; L514-F549 WeakPolarHBondContact O-CA 3.26Å; L514-F549 VanDerWaalsContact O-CB 3.3Å; L514-F549 WeakPolarHBondContact O-CB 3.41Å; T515-F549 HydrophobicContact CG2-CB 4.13Å; L547-F549 HydrophobicContact CD2-CD1 4.08Å; L547-F549 HydrophobicContact CD2-CE1 4.1Å; L547-F549 HydrophobicContact CG-CD1 3.98Å; L547-F549 HydrophobicContact CG-CE1 4.36Å; F549-T551 HydrophobicContact CD2-CG2 4.13Å; F549-T551 HydrophobicContact CE2-CG2 3.72Å; F549-L559 HydrophobicContact CZ-CD2 4.12Å; F549-V653 HydrophobicContact CD2-CB 4.17Å; F549-V653 HydrophobicContact CD2-CG2 4.45Å; F549-V653 HydrophobicContact CE1-CB 4.19Å; F549-V653 HydrophobicContact CE1-CG1 4.09Å; F549-V653 HydrophobicContact CE2-CB 3.78Å; F549-V653 HydrophobicContact CE2-CG1 4.21Å; F549-V653 HydrophobicContact CE2-CG2 3.95Å; F549-V653 HydrophobicContact CZ-CB 3.8Å; F549-V653 HydrophobicContact CZ-CG1 3.74Å; F549-V653 HydrophobicContact CZ-CG2 4.34Å; F549-V653 PolarHBondContact N-O 2.93Å; F549-V653 PolarHBondContact O-N 3.31Å; F549-L655 HydrophobicContact CE1-CD1 3.96Å; F549-L655 HydrophobicContact CE1-CG 4.28Å; F549-L655 HydrophobicContact CZ-CD1 4.32Å
550	F	98.8	Very high	98.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	141.1	163.4	-70.4	-82.7	0	0	0	110.7	W489 L514 I516 A621 F622 W625 Y650 F651 L652	W489-F550 AromaticContact CE2-CE2 3.64Å; W489-F550 HydrophobicContact CH2-CE2 4.45Å; W489-F550 HydrophobicContact CZ2-CD2 4.2Å; W489-F550 AromaticContact CZ2-CE2 3.62Å; W489-F550 HydrophobicContact CZ2-CE2 3.62Å; W489-F550 HydrophobicContact CZ2-CZ 4.31Å; W489-F550 AromaticContact NE1-CE2 3.68Å; L514-F550 HydrophobicContact CB-CB 4.27Å; L514-F550 WeakPolarHBondContact CB-O 3.3Å; L514-F550 PolarHBondContact N-O 3.15Å; L514-F550 PolarHBondContact O-N 3.07Å; I516-F550 HydrophobicContact CD1-CD2 4.45Å; I516-F550 HydrophobicContact CD1-CE2 3.92Å; I516-F550 HydrophobicContact CG2-CD2 4.09Å; I516-F550 HydrophobicContact CG2-CE2 4.22Å; F550-A621 HydrophobicContact CZ-CB 4.01Å; F550-F622 HydrophobicContact CD1-CE1 4.15Å; F550-F622 HydrophobicContact CD1-CZ 4.22Å; F550-F622 AromaticContact CE1-CD1 3.9Å; F550-F622 HydrophobicContact CE1-CD1 3.9Å; F550-F622 HydrophobicContact CE1-CD2 4.24Å; F550-F622 AromaticContact CE1-CE1 3.67Å; F550-F622 HydrophobicContact CE1-CE1 3.67Å; F550-F622 HydrophobicContact CE1-CE2 4.01Å; F550-F622 HydrophobicContact CE1-CG 4.18Å; F550-F622 AromaticContact CE1-CZ 3.73Å; F550-F622 HydrophobicContact CE1-CZ 3.73Å; F550-W625 HydrophobicContact CB-CZ2 4.35Å; F550-W625 AromaticContact CD1-NE1 3.74Å; F550-W625 HydrophobicContact CD2-CZ2 4.09Å; F550-W625 AromaticContact CD2-NE1 3.65Å; F550-W625 AromaticContact CE1-NE1 3.6Å; F550-W625 AromaticContact CE2-NE1 3.51Å; F550-W625 HydrophobicContact CG-CZ2 4.22Å; F550-W625 AromaticContact CG-NE1 3.76Å; F550-W625 AromaticContact CZ-CD1 4Å; F550-W625 AromaticContact CZ-NE1 3.48Å; F550-Y650 HydrophobicContact CB-CD2 4.21Å; F550-F651 VanDerWaalsContact CA-O 3.31Å; F550-F651 WeakPolarHBondContact CA-O 3.33Å; F550-L652 HydrophobicContact CD1-CB 4.13Å; F550-L652 HydrophobicContact CD1-CD1 4.19Å; F550-L652 HydrophobicContact CD2-CD1 4.18Å; F550-L652 HydrophobicContact CE1-CB 3.82Å; F550-L652 HydrophobicContact CE1-CD1 3.95Å; F550-L652 HydrophobicContact CE1-CG 4.34Å; F550-L652 HydrophobicContact CE2-CD1 3.93Å; F550-L652 HydrophobicContact CG-CD1 4.31Å; F550-L652 HydrophobicContact CZ-CB 4.42Å; F550-L652 HydrophobicContact CZ-CD1 3.81Å; F550-L652 HydrophobicContact CZ-CG 4.48Å
551	T	98.6	Very high	98	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	166.5	171.4	-159.4	0	0	0	0	112.5	G512 F549 I555 V556 Y650 F651 V653	G512-T551 PolarHBondContact O-OG1 3.04Å; F549-T551 HydrophobicContact CD2-CG2 4.13Å; F549-T551 HydrophobicContact CE2-CG2 3.72Å; T551-I555 HydrophobicContact CG2-CB 4.08Å; T551-I555 HydrophobicContact CG2-CG2 3.88Å; T551-I555 WeakPolarHBondContact OG1-CD1 3.47Å; T551-I555 WeakPolarHBondContact OG1-CG2 3.4Å; T551-V556 HydrophobicContact CG2-CG2 3.63Å; T551-Y650 WeakPolarHBondContact O-CA 3.47Å; T551-Y650 WeakPolarHBondContact O-CB 3.13Å; T551-Y650 WeakPolarHBondContact O-CD2 3.37Å; T551-F651 PolarHBondContact N-O 3.43Å; T551-F651 PolarHBondContact O-N 3.26Å; T551-V653 HydrophobicContact CG2-CG2 4.46Å
552	S	98.1	Very high	98	Very high	15 Å²	15	28.3 Å²	28.3	11%	0.105	13%	0.132	C	C	.	.			trans	-71.3	161.8	-177	89	0	0	0	0	112.3	E554 I555 V556	S552-E554 VanDerWaalsContact C-N 3.3Å; S552-E554 WeakPolarHBondContact CB-OE2 3.4Å; S552-E554 PolarHBondContact O-N 3.14Å; S552-E554 PolarHBondContact OG-OE2 3.3Å; S552-I555 PolarHBondContact O-N 3.4Å; S552-V556 PolarHBondContact O-N 2.91Å; S552-V556 VanDerWaalsContact O-N 3.1Å
553	R	96.8	Very high	98	Very high	107 Å²	107	27 Å²	27	40%	0.404	13%	0.126	S	C	.	.	H	α-helix	trans	-59.4	-41.2	178.6	-179.1	172.4	-65.3	-165.9	0.4	112.3	I555 V556 E557 F651	R553-I555 VanDerWaalsContact C-N 3.3Å; R553-I555 PolarHBondContact O-N 3.21Å; R553-V556 PolarHBondContact O-N 3.27Å; R553-E557 WeakPolarHBondContact O-CG 3.28Å; R553-E557 PolarHBondContact O-N 3.37Å; R553-F651 HydrophobicContact CB-CD2 4.45Å; R553-F651 HydrophobicContact CB-CE2 3.9Å; R553-F651 HydrophobicContact CG-CE2 3.92Å
554	E	96.7	Very high	97.9	Very high	101 Å²	101	33.8 Å²	33.8	47%	0.472	16%	0.156	S	C	.	.	H	α-helix	trans	-61.6	-42.2	-178.5	-58.3	70.4	-150.6	0	0	110.6	S552 E557 A558	S552-E554 VanDerWaalsContact C-N 3.3Å; S552-E554 WeakPolarHBondContact CB-OE2 3.4Å; S552-E554 PolarHBondContact O-N 3.14Å; S552-E554 PolarHBondContact OG-OE2 3.3Å; E554-E557 PolarHBondContact O-N 2.9Å; E554-A558 PolarHBondContact O-N 3.03Å
555	I	97.6	Very high	97.8	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.087	18%	0.183	C	C	.	.	H	α-helix	trans	-66.9	-42.3	177	-64.9	170.6	0	0	0	110.6	I513 T551 S552 R553 E557 A558 L559 T673 F674 L677	I513-I555 HydrophobicContact CD1-CG2 3.72Å; T551-I555 HydrophobicContact CG2-CB 4.08Å; T551-I555 HydrophobicContact CG2-CG2 3.88Å; T551-I555 WeakPolarHBondContact OG1-CD1 3.47Å; T551-I555 WeakPolarHBondContact OG1-CG2 3.4Å; S552-I555 PolarHBondContact O-N 3.4Å; R553-I555 VanDerWaalsContact C-N 3.3Å; R553-I555 PolarHBondContact O-N 3.21Å; I555-E557 VanDerWaalsContact C-N 3.34Å; I555-E557 PolarHBondContact O-N 3.21Å; I555-A558 PolarHBondContact O-N 2.83Å; I555-L559 VanDerWaalsContact O-CB 3.3Å; I555-L559 WeakPolarHBondContact O-CB 3.44Å; I555-L559 PolarHBondContact O-N 3.18Å; I555-T673 HydrophobicContact CG2-CG2 4.14Å; I555-F674 HydrophobicContact CD1-CE1 4.22Å; I555-F674 HydrophobicContact CD1-CZ 4.06Å; I555-F674 HydrophobicContact CG1-CE1 4.49Å; I555-L677 HydrophobicContact CB-CD1 4.47Å; I555-L677 HydrophobicContact CG1-CD1 3.88Å
556	V	97.5	Very high	97.7	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.03	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-41.5	176.2	167.2	0	0	0	0	112.4	T551 S552 R553 A558 L559 L560 I574 F651 V653	T551-V556 HydrophobicContact CG2-CG2 3.63Å; S552-V556 PolarHBondContact O-N 2.91Å; S552-V556 VanDerWaalsContact O-N 3.1Å; R553-V556 PolarHBondContact O-N 3.27Å; V556-A558 VanDerWaalsContact C-N 3.32Å; V556-A558 PolarHBondContact O-N 2.99Å; V556-L559 PolarHBondContact O-N 3.28Å; V556-L560 HydrophobicContact CG1-CD1 4.07Å; V556-L560 HydrophobicContact CG1-CG 4.38Å; V556-L560 WeakPolarHBondContact O-CG 3.4Å; V556-L560 PolarHBondContact O-N 3.15Å; V556-I574 HydrophobicContact CG1-CD1 4.34Å; V556-I574 HydrophobicContact CG1-CG2 3.82Å; V556-I574 HydrophobicContact CG2-CG2 4.35Å; V556-F651 HydrophobicContact CB-CD2 4.27Å; V556-F651 HydrophobicContact CG1-CD2 4.49Å; V556-F651 HydrophobicContact CG1-CG 4.45Å; V556-F651 HydrophobicContact CG2-CB 3.71Å; V556-F651 HydrophobicContact CG2-CD2 3.92Å; V556-F651 HydrophobicContact CG2-CG 3.91Å; V556-V653 HydrophobicContact CG2-CG2 4.21Å
557	E	96.7	Very high	97.5	Very high	117 Å²	117	46.3 Å²	46.3	55%	0.547	21%	0.21	S	C	.	.	H	α-helix	trans	-62.9	-39.1	179.1	-74.3	178.7	-176.2	0	0	112.1	R553 E554 I555	R553-E557 WeakPolarHBondContact O-CG 3.28Å; R553-E557 PolarHBondContact O-N 3.37Å; E554-E557 PolarHBondContact O-N 2.9Å; I555-E557 VanDerWaalsContact C-N 3.34Å; I555-E557 PolarHBondContact O-N 3.21Å
558	A	97.8	Very high	97.3	Very high	6 Å²	6	54.6 Å²	54.6	5%	0.05	25%	0.254	C	S	.	.	H	α-helix	trans	-69.6	-43.7	172.3	0	0	0	0	0	111.9	E554 I555 V556 L560 Q561 V562 T673 L676 L677	E554-A558 PolarHBondContact O-N 3.03Å; I555-A558 PolarHBondContact O-N 2.83Å; V556-A558 VanDerWaalsContact C-N 3.32Å; V556-A558 PolarHBondContact O-N 2.99Å; A558-L560 VanDerWaalsContact C-N 3.33Å; A558-L560 PolarHBondContact O-N 3.39Å; A558-Q561 WeakPolarHBondContact O-CB 3.49Å; A558-Q561 PolarHBondContact O-N 2.9Å; A558-V562 PolarHBondContact O-N 2.64Å; A558-V562 VanDerWaalsContact O-N 3.12Å; A558-T673 HydrophobicContact CB-CG2 3.81Å; A558-L676 HydrophobicContact CB-CD2 4.14Å; A558-L677 HydrophobicContact CB-CD1 4.27Å; A558-L677 HydrophobicContact CB-CD2 3.65Å; A558-L677 HydrophobicContact CB-CG 3.65Å
559	L	98.1	Very high	97.3	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-44.1	179.8	177.9	61.6	0	0	0	111.4	F549 I555 V556 Q561 V562 L563 V653 V669 T673	F549-L559 HydrophobicContact CZ-CD2 4.12Å; I555-L559 VanDerWaalsContact O-CB 3.3Å; I555-L559 WeakPolarHBondContact O-CB 3.44Å; I555-L559 PolarHBondContact O-N 3.18Å; V556-L559 PolarHBondContact O-N 3.28Å; L559-Q561 PolarHBondContact O-N 3.04Å; L559-V562 PolarHBondContact O-N 2.72Å; L559-V562 VanDerWaalsContact O-N 3.13Å; L559-L563 HydrophobicContact CD1-CD1 4.19Å; L559-L563 HydrophobicContact CD1-CG 4.04Å; L559-L563 HydrophobicContact CD2-CD1 4.44Å; L559-L563 HydrophobicContact CG-CD1 3.82Å; L559-L563 HydrophobicContact CG-CG 4.18Å; L559-L563 WeakPolarHBondContact O-CB 3.42Å; L559-L563 VanDerWaalsContact O-CG 3.29Å; L559-L563 WeakPolarHBondContact O-CG 3.48Å; L559-L563 PolarHBondContact O-N 2.72Å; L559-V653 HydrophobicContact CD2-CG1 4.16Å; L559-V669 HydrophobicContact CD1-CG1 3.62Å; L559-T673 HydrophobicContact CB-CG2 4.03Å; L559-T673 WeakPolarHBondContact CD1-OG1 3.44Å
560	L	97.8	Very high	97.2	Very high	51 Å²	51	57.5 Å²	57.5	27%	0.267	27%	0.265	S	S	.	.	H	α-helix	trans	-61.1	-30.1	176.7	-78.3	172.2	0	0	0	113.2	V556 A558 F572 I574 I582	V556-L560 HydrophobicContact CG1-CD1 4.07Å; V556-L560 HydrophobicContact CG1-CG 4.38Å; V556-L560 WeakPolarHBondContact O-CG 3.4Å; V556-L560 PolarHBondContact O-N 3.15Å; A558-L560 VanDerWaalsContact C-N 3.33Å; A558-L560 PolarHBondContact O-N 3.39Å; L560-F572 HydrophobicContact CD2-CE2 3.81Å; L560-F572 HydrophobicContact CD2-CZ 4.2Å; L560-I574 HydrophobicContact CD2-CD1 3.58Å; L560-I574 HydrophobicContact CG-CD1 3.95Å; L560-I582 HydrophobicContact CD2-CD1 4.2Å; L560-I582 HydrophobicContact CD2-CG2 4.08Å
561	Q	97.2	Very high	97.2	Very high	98 Å²	98	59 Å²	59	46%	0.458	27%	0.273	S	S	.	.	H	α-helix	trans	-74.3	-40.1	174.7	-65	-179.1	45.7	0	0	111.6	A558 L559 L676	A558-Q561 WeakPolarHBondContact O-CB 3.49Å; A558-Q561 PolarHBondContact O-N 2.9Å; L559-Q561 PolarHBondContact O-N 3.04Å; Q561-L676 HydrophobicContact CB-CD2 3.83Å
562	V	97.9	Very high	97.2	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.018	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-44.7	176.8	172.3	0	0	0	0	111.1	A558 L559 K564 K565 Y566 V669 D672 L676	A558-V562 PolarHBondContact O-N 2.64Å; A558-V562 VanDerWaalsContact O-N 3.12Å; L559-V562 PolarHBondContact O-N 2.72Å; L559-V562 VanDerWaalsContact O-N 3.13Å; V562-K564 PolarHBondContact O-N 3.22Å; V562-K565 WeakPolarHBondContact O-CB 3.42Å; V562-K565 PolarHBondContact O-N 3.48Å; V562-Y566 HydrophobicContact CG1-CD2 4.06Å; V562-Y566 HydrophobicContact CG1-CE2 3.79Å; V562-Y566 WeakPolarHBondContact O-CD2 3.47Å; V562-V669 HydrophobicContact CG1-CG1 4.32Å; V562-D672 HydrophobicContact CB-CB 4.5Å; V562-D672 HydrophobicContact CG1-CB 3.57Å; V562-D672 HydrophobicContact CG2-CB 4.06Å; V562-L676 HydrophobicContact CG2-CD2 4.25Å
563	L	97.6	Very high	97.3	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-57.1	-26	-177.8	-77	170	0	0	0	113.4	L559 K565 Y566 E567 V570 F572 I574 L655 V669	L559-L563 HydrophobicContact CD1-CD1 4.19Å; L559-L563 HydrophobicContact CD1-CG 4.04Å; L559-L563 HydrophobicContact CD2-CD1 4.44Å; L559-L563 HydrophobicContact CG-CD1 3.82Å; L559-L563 HydrophobicContact CG-CG 4.18Å; L559-L563 WeakPolarHBondContact O-CB 3.42Å; L559-L563 VanDerWaalsContact O-CG 3.29Å; L559-L563 WeakPolarHBondContact O-CG 3.48Å; L559-L563 PolarHBondContact O-N 2.72Å; L563-K565 PolarHBondContact O-N 2.97Å; L563-Y566 CarbonylContact O-C 3.57Å; L563-Y566 WeakPolarHBondContact O-CA 3.49Å; L563-Y566 PolarHBondContact O-N 3.34Å; L563-E567 PolarHBondContact O-N 3.15Å; L563-V570 HydrophobicContact CD2-CB 4.43Å; L563-V570 HydrophobicContact CD2-CG1 3.92Å; L563-F572 HydrophobicContact CB-CD1 4.5Å; L563-F572 HydrophobicContact CD1-CB 3.99Å; L563-F572 HydrophobicContact CD1-CD1 3.88Å; L563-F572 HydrophobicContact CD1-CD2 4Å; L563-F572 HydrophobicContact CD1-CE1 4.34Å; L563-F572 HydrophobicContact CD1-CE2 4.44Å; L563-F572 HydrophobicContact CD1-CG 3.69Å; L563-F572 HydrophobicContact CD2-CD1 4.43Å; L563-I574 HydrophobicContact CD1-CD1 4.39Å; L563-L655 HydrophobicContact CD1-CD2 4.5Å; L563-L655 HydrophobicContact CD2-CD2 4.28Å; L563-V669 HydrophobicContact CD2-CG1 4.15Å
564	K	96.1	Very high	97.3	Very high	151 Å²	151	54.1 Å²	54.1	66%	0.657	25%	0.253	S	S	*	.	H	α-helix	trans	-57.2	-30.6	172.9	-65	175.9	-176.7	176.2	0	113.3	V562 Y566	V562-K564 PolarHBondContact O-N 3.22Å; K564-Y566 VanDerWaalsContact C-N 3.31Å
565	K	96.6	Very high	97.4	Very high	160 Å²	160	49.3 Å²	49.3	70%	0.696	23%	0.231	S	C	*	.	H	α-helix	trans	-74	-25.1	175.2	-58.4	176.6	-174.2	171.3	0	112.2	V562 L563	V562-K565 WeakPolarHBondContact O-CB 3.42Å; V562-K565 PolarHBondContact O-N 3.48Å; L563-K565 PolarHBondContact O-N 2.97Å
566	Y	97.2	Very high	97.4	Very high	45 Å²	45	49 Å²	49	18%	0.176	23%	0.229	C	C	.	.	H	α-helix	trans	-107.5	6.4	-173.9	-64.4	-89.1	0	0	0	113.2	V562 L563 K564 L568 R569 V570 V669 D672	V562-Y566 HydrophobicContact CG1-CD2 4.06Å; V562-Y566 HydrophobicContact CG1-CE2 3.79Å; V562-Y566 WeakPolarHBondContact O-CD2 3.47Å; L563-Y566 CarbonylContact O-C 3.57Å; L563-Y566 WeakPolarHBondContact O-CA 3.49Å; L563-Y566 PolarHBondContact O-N 3.34Å; K564-Y566 VanDerWaalsContact C-N 3.31Å; Y566-L568 PolarHBondContact O-N 2.62Å; Y566-R569 PolarHBondContact O-N 3.06Å; Y566-V570 HydrophobicContact CD1-CG2 4.44Å; Y566-V570 HydrophobicContact CG-CG2 4.47Å; Y566-V570 PolarHBondContact O-N 3.14Å; Y566-V669 HydrophobicContact CD1-CG2 3.91Å; Y566-V669 HydrophobicContact CD2-CG2 3.9Å; Y566-V669 HydrophobicContact CE1-CG2 3.94Å; Y566-V669 HydrophobicContact CE2-CG2 3.93Å; Y566-V669 HydrophobicContact CG-CG2 3.9Å; Y566-D672 WeakPolarHBondContact CE2-OD2 3.38Å; Y566-D672 PolarHBondContact OH-OD2 3.36Å
567	E	93.6	Very high	97.4	Very high	87 Å²	87	50.3 Å²	50.3	41%	0.407	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-37.7	-171.2	-170.5	67.2	-129.7	0	0	114.4	L563 N584	L563-E567 PolarHBondContact O-N 3.15Å; E567-N584 WeakPolarHBondContact OE1-CB 3.31Å; E567-N584 PolarHBondContact OE1-ND2 3.12Å
568	L	95.4	Very high	97.4	Very high	176 Å²	176	50.7 Å²	50.7	92%	0.921	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-20.8	-178.8	-62.2	178.2	0	0	0	113.8	Y566	Y566-L568 PolarHBondContact O-N 2.62Å
569	R	97.7	Very high	97.2	Very high	61 Å²	61	51.5 Å²	51.5	23%	0.23	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-40.7	-173.4	178.1	169.9	177	179.2	-1.8	112.2	Y566 D657 N658 E659 D663 C665	Y566-R569 PolarHBondContact O-N 3.06Å; R569-D657 WeakPolarHBondContact CG-OD1 3.44Å; R569-D657 IonicContact CZ-OD1 3.5Å; R569-D657 IonicContact CZ-OD2 2.83Å; R569-D657 IonicContact NE-OD1 3.48Å; R569-D657 PolarHBondContact NE-OD1 3.11Å; R569-D657 IonicContact NE-OD2 2.74Å; R569-D657 PolarHBondContact NE-OD2 3.35Å; R569-D657 IonicContact NH2-OD1 2.73Å; R569-D657 PolarHBondContact NH2-OD1 3.23Å; R569-D657 IonicContact NH2-OD2 3.3Å; R569-D657 PolarHBondContact NH2-OD2 3.19Å; R569-N658 WeakPolarHBondContact O-CB 3.48Å; R569-N658 PolarHBondContact O-N 3.47Å; R569-N658 VanDerWaalsContact O-N 3.08Å; R569-N658 PolarHBondContact O-ND2 2.77Å; R569-E659 HydrophobicContact CG-CB 4.43Å; R569-E659 HydrophobicContact CG-CG 3.93Å; R569-D663 PolarHBondContact NH2-O 2.77Å; R569-C665 PolarHBondContact NE-SG 3.39Å; R569-C665 VanDerWaalsContact NE-SG 3.41Å
570	V	98.5	Very high	97.1	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.3	-173.2	177.6	0	0	0	0	110.3	L563 Y566 N584 L655 V656 L666 V669	L563-V570 HydrophobicContact CD2-CB 4.43Å; L563-V570 HydrophobicContact CD2-CG1 3.92Å; Y566-V570 HydrophobicContact CD1-CG2 4.44Å; Y566-V570 HydrophobicContact CG-CG2 4.47Å; Y566-V570 PolarHBondContact O-N 3.14Å; V570-N584 PolarHBondContact O-ND2 3.21Å; V570-L655 HydrophobicContact CG1-CB 4.43Å; V570-L655 HydrophobicContact CG1-CD2 4.29Å; V570-V656 VanDerWaalsContact CA-O 3.31Å; V570-V656 WeakPolarHBondContact CA-O 3.45Å; V570-L666 HydrophobicContact CG1-CD2 4.27Å; V570-L666 HydrophobicContact CG2-CD2 4.27Å; V570-V669 HydrophobicContact CG2-CG2 4.43Å
571	N	98.6	Very high	97.1	Very high	32 Å²	32	60 Å²	60	17%	0.171	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	137.2	162.4	-74	115.1	0	0	0	109.8	N584 N591 L655 V656 N658	N571-N584 VanDerWaalsContact CA-OD1 3.26Å; N571-N584 WeakPolarHBondContact CA-OD1 3.42Å; N571-N584 PolarHBondContact ND2-OD1 3.34Å; N571-N591 PolarHBondContact OD1-ND2 3.19Å; N571-L655 WeakPolarHBondContact O-CA 3.48Å; N571-V656 HydrophobicContact CB-CB 4.36Å; N571-V656 PolarHBondContact N-O 3.39Å; N571-V656 PolarHBondContact O-N 3.03Å; N571-N658 PolarHBondContact OD1-ND2 2.74Å
572	F	98.5	Very high	97.1	Very high	13 Å²	13	59 Å²	59	6%	0.057	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	152.7	178.2	72.8	-89.9	0	0	0	111.9	L560 L563 I574 I582 T583 N584 N654 L655	L560-F572 HydrophobicContact CD2-CE2 3.81Å; L560-F572 HydrophobicContact CD2-CZ 4.2Å; L563-F572 HydrophobicContact CB-CD1 4.5Å; L563-F572 HydrophobicContact CD1-CB 3.99Å; L563-F572 HydrophobicContact CD1-CD1 3.88Å; L563-F572 HydrophobicContact CD1-CD2 4Å; L563-F572 HydrophobicContact CD1-CE1 4.34Å; L563-F572 HydrophobicContact CD1-CE2 4.44Å; L563-F572 HydrophobicContact CD1-CG 3.69Å; L563-F572 HydrophobicContact CD2-CD1 4.43Å; F572-I574 HydrophobicContact CD2-CD1 3.78Å; F572-I574 HydrophobicContact CD2-CG1 4.15Å; F572-I574 HydrophobicContact CE2-CD1 4.11Å; F572-I582 HydrophobicContact CE2-CG1 4.08Å; F572-I582 HydrophobicContact CE2-CG2 4.17Å; F572-I582 HydrophobicContact CZ-CG1 4.42Å; F572-T583 VanDerWaalsContact O-CA 3.25Å; F572-T583 WeakPolarHBondContact O-CA 3.31Å; F572-T583 WeakPolarHBondContact O-CB 3.49Å; F572-T583 PolarHBondContact O-OG1 3.41Å; F572-N584 HydrophobicContact CD1-CB 4.18Å; F572-N584 HydrophobicContact CE1-CB 3.73Å; F572-N584 HydrophobicContact CZ-CB 4.32Å; F572-N584 PolarHBondContact N-OD1 3Å; F572-N584 PolarHBondContact O-N 3.14Å; F572-N654 WeakPolarHBondContact CA-O 3.48Å; F572-L655 HydrophobicContact CB-CD2 3.44Å; F572-L655 VanDerWaalsContact CB-CD2 3.44Å
573	H	98.6	Very high	97.1	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.019	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	123.7	167.3	-163.7	168.2	0	0	0	108.9	N581 I582 P611 F614 V653 N654	H573-N581 PolarHBondContact NE2-ND2 3.44Å; H573-N581 VanDerWaalsContact NE2-ND2 3.16Å; H573-I582 WeakPolarHBondContact CA-O 3.48Å; H573-I582 PolarHBondContact CD2-O 3.44Å; H573-P611 PolarHBondContact CE1-O 2.85Å; H573-F614 HydrophobicContact CB-CD1 4.12Å; H573-F614 HydrophobicContact CB-CE1 4.09Å; H573-F614 AromaticContact CE1-CD1 3.69Å; H573-F614 AromaticContact CG-CD1 3.57Å; H573-F614 AromaticContact CG-CE1 3.88Å; H573-F614 AromaticContact ND1-CD1 3.37Å; H573-F614 WeakPolarHBondContact ND1-CD1 3.46Å; H573-V653 WeakPolarHBondContact O-CA 3.47Å; H573-N654 WeakPolarHBondContact CB-ND2 3.45Å; H573-N654 PolarHBondContact N-O 3.45Å; H573-N654 PolarHBondContact O-N 3.26Å
574	I	98.6	Very high	97.1	Very high	2 Å²	2	62 Å²	62	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.6	-177.9	-63	158	0	0	0	108	V556 L560 L563 F572 N581 I582 F651 L652 V653	V556-I574 HydrophobicContact CG1-CD1 4.34Å; V556-I574 HydrophobicContact CG1-CG2 3.82Å; V556-I574 HydrophobicContact CG2-CG2 4.35Å; L560-I574 HydrophobicContact CD2-CD1 3.58Å; L560-I574 HydrophobicContact CG-CD1 3.95Å; L563-I574 HydrophobicContact CD1-CD1 4.39Å; F572-I574 HydrophobicContact CD2-CD1 3.78Å; F572-I574 HydrophobicContact CD2-CG1 4.15Å; F572-I574 HydrophobicContact CE2-CD1 4.11Å; I574-N581 CarbonylContact O-C 3.37Å; I574-N581 WeakPolarHBondContact O-CA 3.5Å; I574-N581 VanDerWaalsContact O-CB 3.31Å; I574-N581 WeakPolarHBondContact O-CB 3.5Å; I574-I582 HydrophobicContact CB-CG2 3.9Å; I574-I582 HydrophobicContact CD1-CG2 4.26Å; I574-I582 PolarHBondContact N-O 2.88Å; I574-I582 PolarHBondContact O-N 2.96Å; I574-F651 HydrophobicContact CG2-CB 3.97Å; I574-F651 HydrophobicContact CG2-CD1 3.6Å; I574-F651 HydrophobicContact CG2-CE1 4.45Å; I574-F651 HydrophobicContact CG2-CG 4.03Å; I574-L652 WeakPolarHBondContact CA-O 3.24Å; I574-V653 HydrophobicContact CB-CG2 4.43Å; I574-V653 HydrophobicContact CG1-CB 4.29Å; I574-V653 HydrophobicContact CG1-CG1 3.74Å; I574-V653 HydrophobicContact CG1-CG2 3.9Å; I574-V653 HydrophobicContact CG2-CG2 4.16Å
575	V	98.6	Very high	97	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	141.1	-178.8	64.7	0	0	0	0	112	K580 N581 F614 M615 K618 F651 L652	V575-K580 WeakPolarHBondContact CA-O 3.48Å; V575-N581 HydrophobicContact CB-CB 3.85Å; V575-N581 HydrophobicContact CG2-CB 3.83Å; V575-F614 HydrophobicContact CB-CE1 4.46Å; V575-F614 HydrophobicContact CG1-CD1 4.15Å; V575-F614 HydrophobicContact CG1-CE1 3.56Å; V575-F614 HydrophobicContact CG1-CZ 4.23Å; V575-M615 HydrophobicContact CB-SD 4.45Å; V575-M615 HydrophobicContact CG2-CE 3.82Å; V575-M615 HydrophobicContact CG2-SD 3.91Å; V575-K618 HydrophobicContact CG1-CB 3.82Å; V575-K618 HydrophobicContact CG1-CD 4.42Å; V575-K618 HydrophobicContact CG1-CG 4.04Å; V575-K618 HydrophobicContact CG2-CD 3.97Å; V575-K618 HydrophobicContact CG2-CG 4.21Å; V575-F651 WeakPolarHBondContact O-CA 3.25Å; V575-L652 HydrophobicContact CG1-CB 4.16Å; V575-L652 PolarHBondContact N-O 3.43Å; V575-L652 PolarHBondContact O-N 3.45Å
576	D	97.8	Very high	96.7	Very high	9 Å²	9	52 Å²	52	5%	0.048	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	171.9	170	62.2	22.8	0	0	0	112.3	Q578 G579 K580 F651	D576-Q578 PolarHBondContact O-N 3.02Å; D576-Q578 PolarHBondContact OD1-N 3.04Å; D576-Q578 PolarHBondContact OD1-OE1 2.84Å; D576-Q578 PolarHBondContact OD2-OE1 3.12Å; D576-G579 PolarHBondContact O-N 3.27Å; D576-G579 PolarHBondContact OD1-N 3.13Å; D576-K580 PolarHBondContact N-O 3.25Å; D576-K580 VanDerWaalsContact N-O 3.14Å; D576-K580 WeakPolarHBondContact OD1-CB 3.36Å; D576-K580 PolarHBondContact OD1-N 2.91Å; D576-K580 WeakPolarHBondContact OD2-CB 3.39Å; D576-F651 HydrophobicContact CB-CD1 3.85Å; D576-F651 HydrophobicContact CB-CE1 3.67Å; D576-F651 HydrophobicContact CB-CZ 4.19Å
577	V	97.2	Very high	96.4	Very high	33 Å²	33	57.8 Å²	57.8	20%	0.2	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-34	178.7	67.6	0	0	0	0	111.9	G579 K618 F622	V577-G579 PolarHBondContact O-N 3.37Å; V577-K618 PolarHBondContact O-NZ 3.06Å; V577-K618 VanDerWaalsContact O-NZ 3.08Å; V577-F622 HydrophobicContact CB-CB 4.48Å; V577-F622 HydrophobicContact CB-CD1 3.8Å; V577-F622 HydrophobicContact CB-CD2 4.21Å; V577-F622 HydrophobicContact CB-CE1 4Å; V577-F622 HydrophobicContact CB-CE2 4.41Å; V577-F622 HydrophobicContact CB-CG 3.92Å; V577-F622 HydrophobicContact CB-CZ 4.31Å; V577-F622 HydrophobicContact CG2-CB 3.99Å; V577-F622 HydrophobicContact CG2-CD1 4.17Å; V577-F622 HydrophobicContact CG2-CD2 4.48Å; V577-F622 HydrophobicContact CG2-CG 3.98Å
578	Q	95.9	Very high	96.3	Very high	126 Å²	126	58 Å²	58	59%	0.589	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.6	178	-57.1	83.4	13.3	0	0	113	D576 D648	D576-Q578 PolarHBondContact O-N 3.02Å; D576-Q578 PolarHBondContact OD1-N 3.04Å; D576-Q578 PolarHBondContact OD1-OE1 2.84Å; D576-Q578 PolarHBondContact OD2-OE1 3.12Å; Q578-D648 PolarHBondContact NE2-O 2.89Å
579	G	93.8	Very high	96	Very high	23 Å²	23	54.6 Å²	54.6	24%	0.237	28%	0.28	C	S	.	.			trans	89.1	8	176	0	0	0	0	0	114.5	D576 V577 N581	D576-G579 PolarHBondContact O-N 3.27Å; D576-G579 PolarHBondContact OD1-N 3.13Å; V577-G579 PolarHBondContact O-N 3.37Å; G579-N581 PolarHBondContact O-N 2.84Å
580	K	96.2	Very high	95.8	Very high	157 Å²	157	53.8 Å²	53.8	68%	0.683	28%	0.283	S	S	*	.			trans	-71.3	121.6	170.9	-178.3	-173	176.3	-173.3	0	108.1	V575 D576	V575-K580 WeakPolarHBondContact CA-O 3.48Å; D576-K580 PolarHBondContact N-O 3.25Å; D576-K580 VanDerWaalsContact N-O 3.14Å; D576-K580 WeakPolarHBondContact OD1-CB 3.36Å; D576-K580 PolarHBondContact OD1-N 2.91Å; D576-K580 WeakPolarHBondContact OD2-CB 3.39Å
581	N	97.3	Very high	95.7	Very high	75 Å²	75	55.2 Å²	55.2	40%	0.401	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	163.9	-175.2	73.7	-2.5	0	0	0	113.4	H573 I574 V575 G579 M615	H573-N581 PolarHBondContact NE2-ND2 3.44Å; H573-N581 VanDerWaalsContact NE2-ND2 3.16Å; I574-N581 CarbonylContact O-C 3.37Å; I574-N581 WeakPolarHBondContact O-CA 3.5Å; I574-N581 VanDerWaalsContact O-CB 3.31Å; I574-N581 WeakPolarHBondContact O-CB 3.5Å; V575-N581 HydrophobicContact CB-CB 3.85Å; V575-N581 HydrophobicContact CG2-CB 3.83Å; G579-N581 PolarHBondContact O-N 2.84Å; N581-M615 HydrophobicContact CB-CE 4.46Å; N581-M615 HydrophobicContact CB-SD 4.13Å; N581-M615 PolarHBondContact ND2-SD 3.43Å
582	I	97.5	Very high	95.6	Very high	79 Å²	79	54.8 Å²	54.8	41%	0.405	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	136.5	169.8	-176	170.7	0	0	0	109	L560 F572 H573 I574	L560-I582 HydrophobicContact CD2-CD1 4.2Å; L560-I582 HydrophobicContact CD2-CG2 4.08Å; F572-I582 HydrophobicContact CE2-CG1 4.08Å; F572-I582 HydrophobicContact CE2-CG2 4.17Å; F572-I582 HydrophobicContact CZ-CG1 4.42Å; H573-I582 WeakPolarHBondContact CA-O 3.48Å; H573-I582 PolarHBondContact CD2-O 3.44Å; I574-I582 HydrophobicContact CB-CG2 3.9Å; I574-I582 HydrophobicContact CD1-CG2 4.26Å; I574-I582 PolarHBondContact N-O 2.88Å; I574-I582 PolarHBondContact O-N 2.96Å
583	T	97.6	Very high	95.6	Very high	37 Å²	37	54.2 Å²	54.2	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	151	177.7	-178.9	0	0	0	0	110.7	F572 A585 L588	F572-T583 VanDerWaalsContact O-CA 3.25Å; F572-T583 WeakPolarHBondContact O-CA 3.31Å; F572-T583 WeakPolarHBondContact O-CB 3.49Å; F572-T583 PolarHBondContact O-OG1 3.41Å; T583-A585 HydrophobicContact CG2-CB 4.41Å; T583-A585 WeakPolarHBondContact OG1-CB 3.49Å; T583-A585 PolarHBondContact OG1-N 2.89Å; T583-A585 VanDerWaalsContact OG1-N 3.08Å; T583-L588 HydrophobicContact CG2-CD2 3.73Å
584	N	97.3	Very high	95.6	Very high	30 Å²	30	54 Å²	54	16%	0.16	29%	0.288	C	S	.	.			trans	-102.5	16.4	169.6	72.2	-12.4	0	0	0	113.1	E567 V570 N571 F572	E567-N584 WeakPolarHBondContact OE1-CB 3.31Å; E567-N584 PolarHBondContact OE1-ND2 3.12Å; V570-N584 PolarHBondContact O-ND2 3.21Å; N571-N584 VanDerWaalsContact CA-OD1 3.26Å; N571-N584 WeakPolarHBondContact CA-OD1 3.42Å; N571-N584 PolarHBondContact ND2-OD1 3.34Å; F572-N584 HydrophobicContact CD1-CB 4.18Å; F572-N584 HydrophobicContact CE1-CB 3.73Å; F572-N584 HydrophobicContact CZ-CB 4.32Å; F572-N584 PolarHBondContact N-OD1 3Å; F572-N584 PolarHBondContact O-N 3.14Å
585	A	94.2	Very high	95.5	Very high	17 Å²	17	55.8 Å²	55.8	14%	0.14	30%	0.295	C	S	.	.			trans	-61.1	120.9	175.6	0	0	0	0	0	110.5	T583 E587 L588 P611	T583-A585 HydrophobicContact CG2-CB 4.41Å; T583-A585 WeakPolarHBondContact OG1-CB 3.49Å; T583-A585 PolarHBondContact OG1-N 2.89Å; T583-A585 VanDerWaalsContact OG1-N 3.08Å; A585-E587 PolarHBondContact O-N 3.3Å; A585-L588 PolarHBondContact O-N 3.06Å; A585-P611 HydrophobicContact CB-CB 4.42Å; A585-P611 HydrophobicContact CB-CG 3.38Å
586	P	91.6	Very high	95.5	Very high	86 Å²	86	55.8 Å²	55.8	56%	0.558	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-65.4	122.4	-174.6	26.8	-33.7	0	0	0	109.8	L588 Q589	P586-L588 PolarHBondContact O-N 3.08Å; P586-Q589 WeakPolarHBondContact O-CB 3.3Å; P586-Q589 PolarHBondContact O-N 3.09Å
587	E	90.1	Very high	95.5	Very high	165 Å²	165	59 Å²	59	77%	0.771	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	53.6	24	-178	-56.8	176.8	-176.3	0	0	114.1	A585 Q589	A585-E587 PolarHBondContact O-N 3.3Å; E587-Q589 HydrophobicContact CB-CG 4.09Å; E587-Q589 PolarHBondContact O-N 2.93Å; E587-Q589 PolarHBondContact OE2-NE2 2.94Å
588	L	90.5	Very high	95.3	Very high	92 Å²	92	57.8 Å²	57.8	48%	0.482	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	56	26.5	-172.5	-56.6	173.8	0	0	0	113.8	T583 A585 P586 P611	T583-L588 HydrophobicContact CG2-CD2 3.73Å; A585-L588 PolarHBondContact O-N 3.06Å; P586-L588 PolarHBondContact O-N 3.08Å; L588-P611 HydrophobicContact CD2-CB 4.15Å
589	Q	90	Very high	95.2	Very high	105 Å²	105	56 Å²	56	49%	0.491	30%	0.302	S	S	.	.			trans	-76.4	148.9	179.1	-66.6	-177.8	12.3	0	0	112.1	P586 E587	P586-Q589 WeakPolarHBondContact O-CB 3.3Å; P586-Q589 PolarHBondContact O-N 3.09Å; E587-Q589 HydrophobicContact CB-CG 4.09Å; E587-Q589 PolarHBondContact O-N 2.93Å; E587-Q589 PolarHBondContact OE2-NE2 2.94Å
590	P	93.4	Very high	95	Very high	44 Å²	44	59.2 Å²	59.2	29%	0.286	34%	0.336	S	S	.	.			trans	-66.4	142.7	174	-15.7	27	0	0	0	113	W423 V608 V609 D610	W423-P590 HydrophobicContact CB-CB 4.42Å; W423-P590 HydrophobicContact CB-CG 4.36Å; W423-P590 HydrophobicContact CG-CG 4.32Å; P590-V608 HydrophobicContact CB-CB 4.33Å; P590-V608 HydrophobicContact CB-CG2 4.47Å; P590-V609 CarbonylContact C-O 3.19Å; P590-V609 WeakPolarHBondContact CA-O 3.3Å; P590-D610 HydrophobicContact CB-CB 4.17Å; P590-D610 HydrophobicContact CG-CB 4.32Å
591	N	95.9	Very high	94.6	Very high	31 Å²	31	57.3 Å²	57.3	17%	0.166	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.3	173.8	-171.2	2.1	0	0	0	110.5	K544 N571 V608 V609 N658	K544-N591 PolarHBondContact NZ-OD1 3.16Å; N571-N591 PolarHBondContact OD1-ND2 3.19Å; N591-V608 CarbonylContact O-C 3.54Å; N591-V608 VanDerWaalsContact O-CA 3.25Å; N591-V608 WeakPolarHBondContact O-CA 3.15Å; N591-V609 PolarHBondContact N-O 2.85Å; N591-V609 PolarHBondContact O-N 3.22Å; N591-N658 PolarHBondContact ND2-OD1 3.3Å
592	A	97.1	Very high	94.3	Very high	23 Å²	23	59 Å²	59	19%	0.19	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126.7	174.3	0	0	0	0	0	110.8
593	V	98.2	Very high	94	Very high	0 Å²	0	60 Å²	60	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-15.4	-175.5	-63.9	0	0	0	0	113.8	I399 Q519 Q543 K544 T607 V609 V656	I399-V593 HydrophobicContact CD1-CG2 4.17Å; Q519-V593 PolarHBondContact NE2-O 3.28Å; Q519-V593 VanDerWaalsContact NE2-O 3.15Å; Q543-V593 CarbonylContact C-O 3.58Å; Q543-V593 VanDerWaalsContact CA-O 3.25Å; Q543-V593 WeakPolarHBondContact CA-O 3.23Å; K544-V593 HydrophobicContact CB-CB 4.28Å; K544-V593 HydrophobicContact CB-CG1 4.35Å; K544-V593 HydrophobicContact CD-CG1 4.4Å; K544-V593 PolarHBondContact N-O 3.4Å; V593-T607 HydrophobicContact CG2-CG2 3.81Å; V593-T607 PolarHBondContact N-O 2.96Å; V593-V609 HydrophobicContact CG1-CB 4.41Å; V593-V609 HydrophobicContact CG1-CG2 3.71Å; V593-V609 HydrophobicContact CG2-CG2 4.17Å; V593-V656 HydrophobicContact CG1-CG1 3.9Å; V593-V656 HydrophobicContact CG1-CG2 4.11Å
594	T	98.3	Very high	93.8	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.7	172.4	-54.7	0	0	0	0	109.3	P382 Q519 W534 F542 Q543 Q605 P606 T607	P382-T594 HydrophobicContact CG-CG2 4.13Å; Q519-T594 PolarHBondContact NE2-OG1 3.04Å; Q519-T594 PolarHBondContact OE1-OG1 3.09Å; Q519-T594 VanDerWaalsContact OE1-OG1 3.06Å; W534-T594 HydrophobicContact CZ2-CG2 4.21Å; F542-T594 WeakPolarHBondContact O-CA 3.21Å; Q543-T594 HydrophobicContact CG-CG2 3.89Å; T594-Q605 CarbonylContact O-C 3.5Å; T594-Q605 WeakPolarHBondContact O-CA 3.35Å; T594-P606 VanDerWaalsContact O-CD 3.27Å; T594-P606 WeakPolarHBondContact O-CD 3.44Å; T594-T607 PolarHBondContact N-O 3.26Å
595	W	98.2	Very high	93.7	Very high	39 Å²	39	59.4 Å²	59.4	15%	0.148	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	162.9	176.9	66.6	93.3	0	0	0	112.4	F542 K544 I603 I604 Q605 F660	F542-W595 HydrophobicContact CB-CD2 3.79Å; F542-W595 HydrophobicContact CB-CE3 4.41Å; F542-W595 HydrophobicContact CB-CG 4.19Å; F542-W595 HydrophobicContact CB-CH2 4.15Å; F542-W595 HydrophobicContact CB-CZ2 3.51Å; F542-W595 HydrophobicContact CD1-CZ2 4.35Å; F542-W595 AromaticContact CD2-CD1 3.79Å; F542-W595 AromaticContact CD2-NE1 3.46Å; F542-W595 AromaticContact CG-CE2 3.79Å; F542-W595 HydrophobicContact CG-CZ2 4.04Å; F542-W595 AromaticContact CG-NE1 3.45Å; F542-W595 PolarHBondContact N-O 3.26Å; F542-W595 PolarHBondContact O-N 2.91Å; K544-W595 HydrophobicContact CD-CZ3 4.49Å; K544-W595 HydrophobicContact CG-CH2 4.22Å; K544-W595 HydrophobicContact CG-CZ3 4.07Å; W595-I603 HydrophobicContact CB-CG2 4.38Å; W595-I604 CarbonylContact C-O 3.57Å; W595-I604 WeakPolarHBondContact CA-O 3.37Å; W595-I604 WeakPolarHBondContact CB-O 3.2Å; W595-Q605 HydrophobicContact CB-CB 3.87Å; W595-F660 AromaticContact CH2-CD1 3.88Å; W595-F660 HydrophobicContact CH2-CD1 3.88Å; W595-F660 HydrophobicContact CH2-CE1 4.08Å; W595-F660 HydrophobicContact CH2-CG 4.14Å; W595-F660 HydrophobicContact CZ2-CD1 4.25Å; W595-F660 HydrophobicContact CZ2-CD2 4.5Å; W595-F660 HydrophobicContact CZ2-CE1 4.04Å; W595-F660 HydrophobicContact CZ2-CE2 4.3Å; W595-F660 HydrophobicContact CZ2-CG 4.48Å; W595-F660 HydrophobicContact CZ2-CZ 4.07Å
596	G	97.1	Very high	93.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143	-179.2	0	0	0	0	0	111.7	Y540 I604	Y540-G596 CarbonylContact O-C 3.41Å; Y540-G596 VanDerWaalsContact O-CA 3.31Å; Y540-G596 WeakPolarHBondContact O-CA 3.38Å; G596-I604 PolarHBondContact N-O 2.93Å; G596-I604 PolarHBondContact O-N 3.36Å; G596-I604 VanDerWaalsContact O-N 3.1Å
597	I	97.4	Very high	94	Very high	77 Å²	77	55 Å²	55	40%	0.395	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.2	175.3	-53.2	-179.4	0	0	0	107.4	G539 Y540 F542 I603	G539-I597 CarbonylContact C-O 3.56Å; G539-I597 WeakPolarHBondContact CA-O 3.34Å; Y540-I597 PolarHBondContact N-O 2.94Å; Y540-I597 PolarHBondContact O-N 3.33Å; F542-I597 HydrophobicContact CE2-CD1 3.97Å; F542-I597 HydrophobicContact CE2-CG1 4.11Å; I597-I603 HydrophobicContact CG1-CG1 4.37Å
598	F	94.8	Very high	94.4	Very high	7 Å²	7	47.3 Å²	47.3	3%	0.031	26%	0.263	C	S	.	.			trans	-124.2	142.5	-172.7	-57.1	-81.6	0	0	0	111.3	W534 P536 G600 R601 I604	W534-F598 HydrophobicContact CE3-CZ 4.01Å; W534-F598 HydrophobicContact CH2-CE2 4.05Å; W534-F598 HydrophobicContact CH2-CZ 4.1Å; W534-F598 AromaticContact CZ3-CE2 3.86Å; W534-F598 HydrophobicContact CZ3-CE2 3.86Å; W534-F598 AromaticContact CZ3-CZ 3.76Å; W534-F598 HydrophobicContact CZ3-CZ 3.76Å; W534-F598 WeakPolarHBondContact O-CE1 3.31Å; P536-F598 HydrophobicContact CB-CB 4.39Å; P536-F598 HydrophobicContact CB-CD1 3.9Å; P536-F598 HydrophobicContact CB-CG 4.29Å; P536-F598 HydrophobicContact CG-CB 4.45Å; P536-F598 HydrophobicContact CG-CD1 4.1Å; P536-F598 HydrophobicContact CG-CG 4.17Å; P536-F598 VanDerWaalsContact O-CD1 3.23Å; P536-F598 WeakPolarHBondContact O-CD1 3.35Å; P536-F598 WeakPolarHBondContact O-CE1 3.45Å; F598-G600 PolarHBondContact O-N 3.47Å; F598-R601 HydrophobicContact CB-CB 4.22Å; F598-R601 PolarHBondContact O-N 3.31Å; F598-I604 HydrophobicContact CD2-CD1 3.84Å; F598-I604 HydrophobicContact CD2-CG1 4.18Å; F598-I604 HydrophobicContact CE2-CB 4.29Å; F598-I604 HydrophobicContact CE2-CD1 3.67Å; F598-I604 HydrophobicContact CE2-CG1 4.09Å
599	P	93.1	Very high	94.7	Very high	88 Å²	88	43.5 Å²	43.5	57%	0.571	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	129.7	179.5	-24.1	33.3	0	0	0	112.2	G538 R601	G538-P599 WeakPolarHBondContact O-CD 3.31Å; G538-P599 WeakPolarHBondContact O-CG 3.33Å; P599-R601 VanDerWaalsContact C-N 3.25Å; P599-R601 PolarHBondContact O-N 2.98Å
600	G	90	Very high	95	Very high	91 Å²	91	38.5 Å²	38.5	94%	0.938	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	18.3	176.9	0	0	0	0	0	114.9	F598	F598-G600 PolarHBondContact O-N 3.47Å
601	R	87.1	Confident	95	Very high	116 Å²	116	36.9 Å²	36.9	44%	0.438	21%	0.209	S	C	.	.	S	Bend	trans	-136.5	160.2	-178.9	-62.1	-178.5	178.3	-137.3	-1.3	111.5	L71 F598 P599	L71-R601 PolarHBondContact O-NH1 3.42Å; F598-R601 HydrophobicContact CB-CB 4.22Å; F598-R601 PolarHBondContact O-N 3.31Å; P599-R601 VanDerWaalsContact C-N 3.25Å; P599-R601 PolarHBondContact O-N 2.98Å
602	E	90.3	Very high	94.8	Very high	110 Å²	110	37.7 Å²	37.7	51%	0.514	21%	0.213	S	C	.	.			trans	-71.7	166.5	170.5	-65.7	-175.9	-162.2	0	0	111.8
603	I	92.9	Very high	94.6	Very high	101 Å²	101	36.6 Å²	36.6	52%	0.518	20%	0.204	S	C	.	.			trans	-67.9	137	177.5	-59.5	177.3	0	0	0	109.5	W595 I597	W595-I603 HydrophobicContact CB-CG2 4.38Å; I597-I603 HydrophobicContact CG1-CG1 4.37Å
604	I	93	Very high	94.5	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.062	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.4	172.5	-48	175.3	0	0	0	107.7	L71 L381 W534 W595 G596 F598	L71-I604 HydrophobicContact CD1-CD1 3.93Å; L71-I604 HydrophobicContact CD1-CG1 4.13Å; L71-I604 HydrophobicContact CD1-CG2 4.37Å; L71-I604 HydrophobicContact CD2-CD1 3.4Å; L71-I604 HydrophobicContact CD2-CG1 3.84Å; L71-I604 HydrophobicContact CG-CD1 4.28Å; L381-I604 HydrophobicContact CD2-CG2 4.19Å; W534-I604 HydrophobicContact CH2-CB 4.01Å; W534-I604 HydrophobicContact CH2-CG2 4.11Å; W534-I604 HydrophobicContact CZ3-CB 4.13Å; W534-I604 HydrophobicContact CZ3-CD1 4.4Å; W534-I604 HydrophobicContact CZ3-CG2 4.02Å; W595-I604 CarbonylContact C-O 3.57Å; W595-I604 WeakPolarHBondContact CA-O 3.37Å; W595-I604 WeakPolarHBondContact CB-O 3.2Å; G596-I604 PolarHBondContact N-O 2.93Å; G596-I604 PolarHBondContact O-N 3.36Å; G596-I604 VanDerWaalsContact O-N 3.1Å; F598-I604 HydrophobicContact CD2-CD1 3.84Å; F598-I604 HydrophobicContact CD2-CG1 4.18Å; F598-I604 HydrophobicContact CE2-CB 4.29Å; F598-I604 HydrophobicContact CE2-CD1 3.67Å; F598-I604 HydrophobicContact CE2-CG1 4.09Å
605	Q	94.7	Very high	94.4	Very high	43 Å²	43	38.8 Å²	38.8	20%	0.201	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	79.5	178.7	46	159.5	45.8	0	0	110.5	V396 G421 T594 W595 T607	V396-Q605 VanDerWaalsContact CG2-O 3.26Å; V396-Q605 WeakPolarHBondContact CG2-O 3.46Å; G421-Q605 WeakPolarHBondContact O-CG 3.42Å; G421-Q605 PolarHBondContact O-NE2 3.36Å; G421-Q605 VanDerWaalsContact O-NE2 3.12Å; T594-Q605 CarbonylContact O-C 3.5Å; T594-Q605 WeakPolarHBondContact O-CA 3.35Å; W595-Q605 HydrophobicContact CB-CB 3.87Å; Q605-T607 VanDerWaalsContact C-N 3.3Å; Q605-T607 PolarHBondContact O-N 3.15Å
606	P	95.4	Very high	94.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-7.4	-164.4	32.3	-38.4	0	0	0	115.6	L381 P382 W383 Y395 V396 R397 W534 T594	L381-P606 HydrophobicContact CD2-CB 4.09Å; P382-P606 HydrophobicContact CG-CG 3.75Å; W383-P606 PolarHBondContact NE1-O 2.94Å; W383-P606 VanDerWaalsContact NE1-O 3.15Å; Y395-P606 WeakPolarHBondContact O-CA 2.95Å; Y395-P606 VanDerWaalsContact O-CB 3.3Å; Y395-P606 WeakPolarHBondContact O-CB 3.37Å; V396-P606 WeakPolarHBondContact CA-O 3.31Å; R397-P606 PolarHBondContact N-O 3.38Å; W534-P606 VanDerWaalsContact CH2-CD 3.47Å; W534-P606 HydrophobicContact CH2-CG 3.57Å; W534-P606 HydrophobicContact CZ2-CG 3.72Å; W534-P606 HydrophobicContact CZ3-CG 4.05Å; T594-P606 VanDerWaalsContact O-CD 3.27Å; T594-P606 WeakPolarHBondContact O-CD 3.44Å
607	T	97.5	Very high	94	Very high	10 Å²	10	40 Å²	40	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.9	-175.4	-46.3	0	0	0	0	111.1	R397 I399 V593 T594 Q605	R397-T607 WeakPolarHBondContact O-CA 3.47Å; I399-T607 HydrophobicContact CB-CG2 3.55Å; I399-T607 HydrophobicContact CD1-CG2 3.91Å; I399-T607 HydrophobicContact CG1-CG2 3.7Å; V593-T607 HydrophobicContact CG2-CG2 3.81Å; V593-T607 PolarHBondContact N-O 2.96Å; T594-T607 PolarHBondContact N-O 3.26Å; Q605-T607 VanDerWaalsContact C-N 3.3Å; Q605-T607 PolarHBondContact O-N 3.15Å
608	V	96.9	Very high	94	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	160	178	-60.2	0	0	0	0	111.7	V396 R397 P398 I399 W423 P590 N591	V396-V608 HydrophobicContact CG2-CG1 3.71Å; V396-V608 HydrophobicContact CG2-CG2 4.28Å; R397-V608 PolarHBondContact O-N 2.8Å; P398-V608 CarbonylContact C-O 3.47Å; P398-V608 VanDerWaalsContact CA-O 3.32Å; P398-V608 WeakPolarHBondContact CA-O 3.5Å; I399-V608 PolarHBondContact N-O 3.05Å; W423-V608 HydrophobicContact CB-CG1 4.12Å; W423-V608 HydrophobicContact CB-CG2 3.86Å; W423-V608 HydrophobicContact CD2-CG2 4.17Å; W423-V608 HydrophobicContact CG-CG2 3.86Å; P590-V608 HydrophobicContact CB-CB 4.33Å; P590-V608 HydrophobicContact CB-CG2 4.47Å; N591-V608 CarbonylContact O-C 3.54Å; N591-V608 VanDerWaalsContact O-CA 3.25Å; N591-V608 WeakPolarHBondContact O-CA 3.15Å
609	V	97.4	Very high	93.9	Very high	12 Å²	12	40.5 Å²	40.5	7%	0.073	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	112.5	164	175.3	0	0	0	0	107.1	I399 F400 Y546 P590 N591 V593 V656	I399-V609 HydrophobicContact CG2-CG2 3.82Å; F400-V609 HydrophobicContact CE1-CG1 4.21Å; F400-V609 HydrophobicContact CZ-CG1 3.99Å; Y546-V609 HydrophobicContact CD2-CG2 3.95Å; Y546-V609 HydrophobicContact CE2-CG2 3.72Å; P590-V609 CarbonylContact C-O 3.19Å; P590-V609 WeakPolarHBondContact CA-O 3.3Å; N591-V609 PolarHBondContact N-O 2.85Å; N591-V609 PolarHBondContact O-N 3.22Å; V593-V609 HydrophobicContact CG1-CB 4.41Å; V593-V609 HydrophobicContact CG1-CG2 3.71Å; V593-V609 HydrophobicContact CG2-CG2 4.17Å; V609-V656 HydrophobicContact CB-CG2 4.27Å; V609-V656 HydrophobicContact CG1-CG2 4.33Å; V609-V656 HydrophobicContact CG2-CG2 3.79Å
610	D	95.4	Very high	94	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.			trans	-115.1	117	-176.8	173.6	32.6	0	0	0	110.7	F400 W423 S426 P590 I612 S613 F614	F400-D610 WeakPolarHBondContact CE2-O 3.39Å; W423-D610 PolarHBondContact NE1-OD2 2.94Å; S426-D610 WeakPolarHBondContact CB-OD2 3.43Å; S426-D610 PolarHBondContact OG-OD2 2.87Å; P590-D610 HydrophobicContact CB-CB 4.17Å; P590-D610 HydrophobicContact CG-CB 4.32Å; D610-I612 PolarHBondContact O-N 2.79Å; D610-I612 PolarHBondContact OD1-N 3.12Å; D610-S613 PolarHBondContact O-N 3.12Å; D610-S613 VanDerWaalsContact OD2-CB 3.28Å; D610-S613 WeakPolarHBondContact OD2-CB 3.45Å; D610-S613 PolarHBondContact OD2-N 3.19Å; D610-S613 PolarHBondContact OD2-OG 3.05Å; D610-F614 PolarHBondContact O-N 3.12Å
611	P	94.2	Very high	94.3	Very high	10 Å²	10	32 Å²	32	7%	0.065	15%	0.153	C	C	.	.	H	α-helix	trans	-58.8	-32.8	-179.7	-24.4	33.7	0	0	0	113.9	H573 A585 L588	H573-P611 PolarHBondContact CE1-O 2.85Å; A585-P611 HydrophobicContact CB-CB 4.42Å; A585-P611 HydrophobicContact CB-CG 3.38Å; L588-P611 HydrophobicContact CD2-CB 4.15Å
612	I	92	Very high	94.8	Very high	49 Å²	49	26.6 Å²	26.6	25%	0.251	13%	0.132	S	C	.	.	H	α-helix	trans	-72.1	-51.1	-180	-62.9	175.3	0	0	0	109.6	D610 F614 M615 F616	D610-I612 PolarHBondContact O-N 2.79Å; D610-I612 PolarHBondContact OD1-N 3.12Å; I612-F614 PolarHBondContact O-N 3.4Å; I612-M615 WeakPolarHBondContact O-CB 3.33Å; I612-M615 PolarHBondContact O-N 3.44Å; I612-M615 VanDerWaalsContact O-N 3.1Å; I612-F616 HydrophobicContact CG2-CE2 4.04Å; I612-F616 VanDerWaalsContact O-CD2 3.31Å; I612-F616 WeakPolarHBondContact O-CD2 3.31Å
613	S	93	Very high	95	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.5	-35.1	175.5	-61.2	0	0	0	0	112.4	F431 D610 M615 F616 W617	F431-S613 WeakPolarHBondContact CE2-OG 3.45Å; D610-S613 PolarHBondContact O-N 3.12Å; D610-S613 VanDerWaalsContact OD2-CB 3.28Å; D610-S613 WeakPolarHBondContact OD2-CB 3.45Å; D610-S613 PolarHBondContact OD2-N 3.19Å; D610-S613 PolarHBondContact OD2-OG 3.05Å; S613-M615 PolarHBondContact O-N 3.1Å; S613-F616 PolarHBondContact O-N 3.24Å; S613-W617 PolarHBondContact O-N 2.62Å
614	F	96.2	Very high	95.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60	-34.5	177.9	-169.1	-119.8	0	0	0	112.5	F400 H573 V575 D610 I612 F616 W617 K618 L652 N654	F400-F614 AromaticContact CD1-CD2 3.71Å; F400-F614 HydrophobicContact CD1-CD2 3.71Å; F400-F614 HydrophobicContact CD1-CE2 4.23Å; F400-F614 HydrophobicContact CD2-CD2 4.45Å; F400-F614 HydrophobicContact CE1-CB 4.33Å; F400-F614 AromaticContact CE1-CD2 3.45Å; F400-F614 HydrophobicContact CE1-CD2 3.45Å; F400-F614 VanDerWaalsContact CE1-CD2 3.45Å; F400-F614 HydrophobicContact CE1-CE2 4.11Å; F400-F614 HydrophobicContact CE1-CG 4.24Å; F400-F614 HydrophobicContact CE2-CB 3.81Å; F400-F614 HydrophobicContact CE2-CD2 4.23Å; F400-F614 HydrophobicContact CG-CD2 4.22Å; F400-F614 HydrophobicContact CZ-CB 3.7Å; F400-F614 AromaticContact CZ-CD2 3.73Å; F400-F614 HydrophobicContact CZ-CD2 3.73Å; F400-F614 HydrophobicContact CZ-CG 4.1Å; H573-F614 HydrophobicContact CB-CD1 4.12Å; H573-F614 HydrophobicContact CB-CE1 4.09Å; H573-F614 AromaticContact CE1-CD1 3.69Å; H573-F614 AromaticContact CG-CD1 3.57Å; H573-F614 AromaticContact CG-CE1 3.88Å; H573-F614 AromaticContact ND1-CD1 3.37Å; H573-F614 WeakPolarHBondContact ND1-CD1 3.46Å; V575-F614 HydrophobicContact CB-CE1 4.46Å; V575-F614 HydrophobicContact CG1-CD1 4.15Å; V575-F614 HydrophobicContact CG1-CE1 3.56Å; V575-F614 HydrophobicContact CG1-CZ 4.23Å; D610-F614 PolarHBondContact O-N 3.12Å; I612-F614 PolarHBondContact O-N 3.4Å; F614-F616 VanDerWaalsContact C-N 3.29Å; F614-F616 PolarHBondContact O-N 3.32Å; F614-W617 AromaticContact CD2-CD1 3.82Å; F614-W617 AromaticContact CE2-CD1 3.89Å; F614-W617 PolarHBondContact O-N 3.39Å; F614-K618 PolarHBondContact O-N 2.97Å; F614-L652 HydrophobicContact CE2-CD2 3.86Å; F614-L652 HydrophobicContact CE2-CG 4.15Å; F614-L652 HydrophobicContact CZ-CD2 3.83Å; F614-L652 HydrophobicContact CZ-CG 3.75Å; F614-N654 WeakPolarHBondContact CD2-ND2 3.12Å; F614-N654 WeakPolarHBondContact CE1-ND2 3.44Å; F614-N654 HydrophobicContact CE2-CB 4.15Å; F614-N654 WeakPolarHBondContact CE2-ND2 3.36Å; F614-N654 HydrophobicContact CZ-CB 4.19Å; F614-N654 WeakPolarHBondContact CZ-ND2 3.45Å
615	M	95	Very high	95.3	Very high	47 Å²	47	16.9 Å²	16.9	23%	0.232	9%	0.087	C	C	.	.	H	α-helix	trans	-68.7	-26.4	176.7	-64.3	-55.3	-64.3	0	0	113.4	V575 N581 I612 S613 K618	V575-M615 HydrophobicContact CB-SD 4.45Å; V575-M615 HydrophobicContact CG2-CE 3.82Å; V575-M615 HydrophobicContact CG2-SD 3.91Å; N581-M615 HydrophobicContact CB-CE 4.46Å; N581-M615 HydrophobicContact CB-SD 4.13Å; N581-M615 PolarHBondContact ND2-SD 3.43Å; I612-M615 WeakPolarHBondContact O-CB 3.33Å; I612-M615 PolarHBondContact O-N 3.44Å; I612-M615 VanDerWaalsContact O-N 3.1Å; S613-M615 PolarHBondContact O-N 3.1Å; M615-K618 VanDerWaalsContact O-CG 3.3Å; M615-K618 WeakPolarHBondContact O-CG 3.44Å
616	F	92.6	Very high	95.3	Very high	60 Å²	60	15.7 Å²	15.7	26%	0.263	8%	0.082	S	C	.	.	H	α-helix	trans	-84.2	-32.8	172.9	-69	-81.8	0	0	0	112.2	R411 A430 F431 I612 S613 F614	R411-F616 PolarHBondContact NH1-O 3.39Å; R411-F616 PolarHBondContact NH2-O 2.95Å; A430-F616 HydrophobicContact CB-CZ 4.44Å; F431-F616 HydrophobicContact CB-CB 4.13Å; F431-F616 HydrophobicContact CB-CD1 3.92Å; F431-F616 HydrophobicContact CB-CE1 4.46Å; F431-F616 HydrophobicContact CB-CG 3.96Å; F431-F616 HydrophobicContact CD2-CB 4.05Å; F431-F616 HydrophobicContact CD2-CD1 4.5Å; F431-F616 AromaticContact CD2-CD2 3.65Å; F431-F616 HydrophobicContact CD2-CD2 3.65Å; F431-F616 HydrophobicContact CD2-CE2 4.2Å; F431-F616 AromaticContact CD2-CG 3.83Å; F431-F616 HydrophobicContact CD2-CG 3.83Å; F431-F616 HydrophobicContact CE2-CD2 4.36Å; F431-F616 HydrophobicContact CG-CB 4.23Å; F431-F616 HydrophobicContact CG-CD2 4.49Å; F431-F616 HydrophobicContact CG-CG 4.23Å; I612-F616 HydrophobicContact CG2-CE2 4.04Å; I612-F616 VanDerWaalsContact O-CD2 3.31Å; I612-F616 WeakPolarHBondContact O-CD2 3.31Å; S613-F616 PolarHBondContact O-N 3.24Å; F614-F616 VanDerWaalsContact C-N 3.29Å; F614-F616 PolarHBondContact O-N 3.32Å
617	W	95.4	Very high	95.1	Very high	5 Å²	5	18.2 Å²	18.2	2%	0.019	9%	0.094	C	C	.	.	H	α-helix	trans	-66.3	-44.8	175.2	164.4	-119.4	0	0	0	111.7	F400 W401 I516 E548 S613 F614 D619 E620 A621	F400-W617 HydrophobicContact CB-CB 3.94Å; F400-W617 HydrophobicContact CB-CD2 3.85Å; F400-W617 HydrophobicContact CB-CG 3.51Å; F400-W617 HydrophobicContact CD2-CB 4.3Å; F400-W617 HydrophobicContact CG-CB 4.25Å; F400-W617 AromaticContact CG-CD1 3.95Å; F400-W617 HydrophobicContact CG-CG 4.11Å; W401-W617 AromaticContact CD1-CE3 3.86Å; W401-W617 AromaticContact CD1-CZ3 3.85Å; W401-W617 HydrophobicContact CD2-CE3 4.25Å; W401-W617 AromaticContact CE2-CE3 3.68Å; W401-W617 HydrophobicContact CG-CE3 4.35Å; W401-W617 HydrophobicContact CH2-CB 3.67Å; W401-W617 HydrophobicContact CZ2-CB 3.64Å; W401-W617 HydrophobicContact CZ2-CE3 4.11Å; W401-W617 HydrophobicContact CZ2-CG 4.48Å; W401-W617 HydrophobicContact CZ3-CB 4.32Å; W401-W617 AromaticContact NE1-CE3 3.41Å; W401-W617 AromaticContact NE1-CZ3 3.79Å; I516-W617 HydrophobicContact CD1-CZ2 4.11Å; E548-W617 PolarHBondContact OE1-NE1 3.25Å; S613-W617 PolarHBondContact O-N 2.62Å; F614-W617 AromaticContact CD2-CD1 3.82Å; F614-W617 AromaticContact CE2-CD1 3.89Å; F614-W617 PolarHBondContact O-N 3.39Å; W617-D619 PolarHBondContact O-N 3.29Å; W617-D619 VanDerWaalsContact O-N 3.12Å; W617-E620 HydrophobicContact CE3-CB 4.2Å; W617-E620 HydrophobicContact CE3-CG 4.39Å; W617-E620 HydrophobicContact CZ3-CB 4.3Å; W617-E620 HydrophobicContact CZ3-CG 4.01Å; W617-E620 WeakPolarHBondContact O-CB 3.27Å; W617-E620 PolarHBondContact O-N 2.79Å; W617-A621 HydrophobicContact CD2-CB 4.17Å; W617-A621 HydrophobicContact CH2-CB 4.36Å; W617-A621 HydrophobicContact CZ2-CB 3.83Å; W617-A621 PolarHBondContact O-N 3.44Å
618	K	96.4	Very high	94.8	Very high	16 Å²	16	18.9 Å²	18.9	7%	0.07	10%	0.097	C	C	.	.	H	α-helix	trans	-56	-35.1	-176.3	69.7	98.9	-178.2	151.5	0	112.5	V575 V577 F614 M615 E620 A621 F622 L652	V575-K618 HydrophobicContact CG1-CB 3.82Å; V575-K618 HydrophobicContact CG1-CD 4.42Å; V575-K618 HydrophobicContact CG1-CG 4.04Å; V575-K618 HydrophobicContact CG2-CD 3.97Å; V575-K618 HydrophobicContact CG2-CG 4.21Å; V577-K618 PolarHBondContact O-NZ 3.06Å; V577-K618 VanDerWaalsContact O-NZ 3.08Å; F614-K618 PolarHBondContact O-N 2.97Å; M615-K618 VanDerWaalsContact O-CG 3.3Å; M615-K618 WeakPolarHBondContact O-CG 3.44Å; K618-E620 PolarHBondContact O-N 2.83Å; K618-A621 PolarHBondContact O-N 3.1Å; K618-F622 HydrophobicContact CB-CD2 4.32Å; K618-F622 HydrophobicContact CD-CD2 4.41Å; K618-F622 WeakPolarHBondContact O-CB 3.44Å; K618-F622 VanDerWaalsContact O-CD2 3.25Å; K618-F622 WeakPolarHBondContact O-CD2 3.49Å; K618-F622 PolarHBondContact O-N 2.84Å; K618-L652 HydrophobicContact CB-CD2 3.88Å
619	D	93.9	Very high	94.7	Very high	77 Å²	77	18.8 Å²	18.8	41%	0.412	10%	0.096	S	C	.	.	H	α-helix	trans	-60.7	-43.7	176.1	-65.4	-30	0	0	0	112.4	W617 A623	W617-D619 PolarHBondContact O-N 3.29Å; W617-D619 VanDerWaalsContact O-N 3.12Å; D619-A623 VanDerWaalsContact O-CB 3.23Å; D619-A623 WeakPolarHBondContact O-CB 3.46Å; D619-A623 PolarHBondContact O-N 3.14Å
620	E	94.2	Very high	94.7	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.009	9%	0.092	C	C	.	.	H	α-helix	trans	-68.9	-46	174.1	178.5	177.8	176.7	0	0	110.8	W401 R404 S407 R411 L434 Y437 W617 K618 F622 A623 L624	W401-E620 PolarHBondContact NE1-OE2 3.23Å; R404-E620 IonicContact CZ-OE1 2.64Å; R404-E620 IonicContact NE-OE1 3.06Å; R404-E620 PolarHBondContact NE-OE1 3.43Å; R404-E620 IonicContact NH2-OE1 2.72Å; S407-E620 VanDerWaalsContact CB-OE1 3.25Å; S407-E620 WeakPolarHBondContact CB-OE1 3.26Å; S407-E620 PolarHBondContact OG-OE1 3.08Å; S407-E620 PolarHBondContact OG-OE2 3.27Å; R411-E620 IonicContact NH1-OE2 2.75Å; L434-E620 HydrophobicContact CD2-CG 4.24Å; Y437-E620 HydrophobicContact CE1-CG 4.43Å; W617-E620 HydrophobicContact CE3-CB 4.2Å; W617-E620 HydrophobicContact CE3-CG 4.39Å; W617-E620 HydrophobicContact CZ3-CB 4.3Å; W617-E620 HydrophobicContact CZ3-CG 4.01Å; W617-E620 WeakPolarHBondContact O-CB 3.27Å; W617-E620 PolarHBondContact O-N 2.79Å; K618-E620 PolarHBondContact O-N 2.83Å; E620-F622 VanDerWaalsContact C-N 3.33Å; E620-F622 PolarHBondContact O-N 2.87Å; E620-A623 PolarHBondContact O-N 3.03Å; E620-L624 HydrophobicContact CG-CD1 4.28Å; E620-L624 VanDerWaalsContact O-CG 3.31Å; E620-L624 WeakPolarHBondContact O-CG 3.1Å; E620-L624 PolarHBondContact O-N 3.05Å
621	A	96.3	Very high	94.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.9	-42.7	-178.1	0	0	0	0	0	112.2	W489 F550 W617 K618 L652	W489-A621 PolarHBondContact NE1-O 3.36Å; F550-A621 HydrophobicContact CZ-CB 4.01Å; W617-A621 HydrophobicContact CD2-CB 4.17Å; W617-A621 HydrophobicContact CH2-CB 4.36Å; W617-A621 HydrophobicContact CZ2-CB 3.83Å; W617-A621 PolarHBondContact O-N 3.44Å; K618-A621 PolarHBondContact O-N 3.1Å; A621-L652 HydrophobicContact CB-CD2 3.87Å
622	F	97.4	Very high	94.7	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-70.4	-45.5	174.4	-83.7	-78.9	0	0	0	111.4	F550 V577 K618 E620 L624 W625 H647 Y650 L652	F550-F622 HydrophobicContact CD1-CE1 4.15Å; F550-F622 HydrophobicContact CD1-CZ 4.22Å; F550-F622 AromaticContact CE1-CD1 3.9Å; F550-F622 HydrophobicContact CE1-CD1 3.9Å; F550-F622 HydrophobicContact CE1-CD2 4.24Å; F550-F622 AromaticContact CE1-CE1 3.67Å; F550-F622 HydrophobicContact CE1-CE1 3.67Å; F550-F622 HydrophobicContact CE1-CE2 4.01Å; F550-F622 HydrophobicContact CE1-CG 4.18Å; F550-F622 AromaticContact CE1-CZ 3.73Å; F550-F622 HydrophobicContact CE1-CZ 3.73Å; V577-F622 HydrophobicContact CB-CB 4.48Å; V577-F622 HydrophobicContact CB-CD1 3.8Å; V577-F622 HydrophobicContact CB-CD2 4.21Å; V577-F622 HydrophobicContact CB-CE1 4Å; V577-F622 HydrophobicContact CB-CE2 4.41Å; V577-F622 HydrophobicContact CB-CG 3.92Å; V577-F622 HydrophobicContact CB-CZ 4.31Å; V577-F622 HydrophobicContact CG2-CB 3.99Å; V577-F622 HydrophobicContact CG2-CD1 4.17Å; V577-F622 HydrophobicContact CG2-CD2 4.48Å; V577-F622 HydrophobicContact CG2-CG 3.98Å; K618-F622 HydrophobicContact CB-CD2 4.32Å; K618-F622 HydrophobicContact CD-CD2 4.41Å; K618-F622 WeakPolarHBondContact O-CB 3.44Å; K618-F622 VanDerWaalsContact O-CD2 3.25Å; K618-F622 WeakPolarHBondContact O-CD2 3.49Å; K618-F622 PolarHBondContact O-N 2.84Å; E620-F622 VanDerWaalsContact C-N 3.33Å; E620-F622 PolarHBondContact O-N 2.87Å; F622-L624 PolarHBondContact O-N 3.38Å; F622-L624 VanDerWaalsContact O-N 3.15Å; F622-W625 WeakPolarHBondContact O-CB 3.32Å; F622-W625 PolarHBondContact O-N 3.31Å; F622-H647 WeakPolarHBondContact CD1-O 3.5Å; F622-H647 WeakPolarHBondContact CE1-O 3.42Å; F622-H647 PolarHBondContact O-CD2 3.48Å; F622-H647 VanDerWaalsContact O-CD2 3.28Å; F622-Y650 WeakPolarHBondContact CZ-O 3.19Å; F622-L652 HydrophobicContact CE2-CB 3.85Å; F622-L652 HydrophobicContact CZ-CB 4.19Å
623	A	94.8	Very high	94.9	Very high	18 Å²	18	20.9 Å²	20.9	15%	0.149	10%	0.101	C	C	.	.	H	α-helix	trans	-56.7	-34.6	-179.8	0	0	0	0	0	113.2	Y437 D619 E620 W625 I626 E627	Y437-A623 HydrophobicContact CE1-CB 4.1Å; Y437-A623 HydrophobicContact CE2-CB 4.35Å; Y437-A623 VanDerWaalsContact OH-CB 3.27Å; Y437-A623 WeakPolarHBondContact OH-CB 3.49Å; D619-A623 VanDerWaalsContact O-CB 3.23Å; D619-A623 WeakPolarHBondContact O-CB 3.46Å; D619-A623 PolarHBondContact O-N 3.14Å; E620-A623 PolarHBondContact O-N 3.03Å; A623-W625 VanDerWaalsContact C-N 3.25Å; A623-W625 PolarHBondContact O-N 3.27Å; A623-I626 PolarHBondContact O-N 3.12Å; A623-E627 WeakPolarHBondContact O-CB 3.39Å; A623-E627 WeakPolarHBondContact O-CG 3.37Å; A623-E627 PolarHBondContact O-N 2.94Å
624	L	94.7	Very high	95.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-60.2	-29.6	177.9	-73.4	169.1	0	0	0	113.9	P488 W489 E620 F622 I626 Q628	P488-L624 HydrophobicContact CB-CB 4.07Å; W489-L624 HydrophobicContact CG-CD1 4.3Å; E620-L624 HydrophobicContact CG-CD1 4.28Å; E620-L624 VanDerWaalsContact O-CG 3.31Å; E620-L624 WeakPolarHBondContact O-CG 3.1Å; E620-L624 PolarHBondContact O-N 3.05Å; F622-L624 PolarHBondContact O-N 3.38Å; F622-L624 VanDerWaalsContact O-N 3.15Å; L624-I626 VanDerWaalsContact C-N 3.27Å; L624-I626 PolarHBondContact O-N 3.2Å; L624-Q628 HydrophobicContact CD2-CG 3.96Å; L624-Q628 PolarHBondContact O-N 2.86Å; L624-Q628 VanDerWaalsContact O-N 3.15Å
625	W	97.1	Very high	95	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	I	π-helix	trans	-56.6	-44.5	172.1	-81.1	109	0	0	0	111.3	V465 F469 W489 L514 F550 F622 A623 W629 G630 I643 I646 H647	V465-W625 HydrophobicContact CG1-CH2 3.72Å; V465-W625 HydrophobicContact CG1-CZ3 3.77Å; F469-W625 AromaticContact CE2-CH2 3.88Å; F469-W625 HydrophobicContact CE2-CH2 3.88Å; F469-W625 AromaticContact CZ-CH2 3.95Å; F469-W625 HydrophobicContact CZ-CH2 3.95Å; F469-W625 HydrophobicContact CZ-CZ2 4.25Å; W489-W625 AromaticContact CH2-CD2 3.55Å; W489-W625 HydrophobicContact CH2-CD2 3.55Å; W489-W625 AromaticContact CH2-CE2 3.3Å; W489-W625 AromaticContact CH2-CE3 3.85Å; W489-W625 HydrophobicContact CH2-CE3 3.85Å; W489-W625 HydrophobicContact CH2-CG 4.18Å; W489-W625 AromaticContact CH2-CH2 3.71Å; W489-W625 HydrophobicContact CH2-CH2 3.71Å; W489-W625 AromaticContact CH2-CZ2 3.39Å; W489-W625 HydrophobicContact CH2-CZ2 3.39Å; W489-W625 AromaticContact CH2-CZ3 3.93Å; W489-W625 HydrophobicContact CH2-CZ3 3.93Å; W489-W625 AromaticContact CH2-NE1 3.79Å; W489-W625 AromaticContact CZ2-CD1 3.64Å; W489-W625 AromaticContact CZ2-CD2 3.7Å; W489-W625 HydrophobicContact CZ2-CD2 3.7Å; W489-W625 AromaticContact CZ2-CE2 3.41Å; W489-W625 VanDerWaalsContact CZ2-CE2 3.41Å; W489-W625 HydrophobicContact CZ2-CE3 4.42Å; W489-W625 AromaticContact CZ2-CG 3.85Å; W489-W625 HydrophobicContact CZ2-CG 3.85Å; W489-W625 AromaticContact CZ2-CZ2 3.92Å; W489-W625 HydrophobicContact CZ2-CZ2 3.92Å; W489-W625 AromaticContact CZ2-NE1 3.36Å; W489-W625 HydrophobicContact CZ3-CH2 4.44Å; W489-W625 HydrophobicContact CZ3-CZ2 4.35Å; L514-W625 HydrophobicContact CD1-CH2 4.06Å; L514-W625 HydrophobicContact CD1-CZ2 4.31Å; F550-W625 HydrophobicContact CB-CZ2 4.35Å; F550-W625 AromaticContact CD1-NE1 3.74Å; F550-W625 HydrophobicContact CD2-CZ2 4.09Å; F550-W625 AromaticContact CD2-NE1 3.65Å; F550-W625 AromaticContact CE1-NE1 3.6Å; F550-W625 AromaticContact CE2-NE1 3.51Å; F550-W625 HydrophobicContact CG-CZ2 4.22Å; F550-W625 AromaticContact CG-NE1 3.76Å; F550-W625 AromaticContact CZ-CD1 4Å; F550-W625 AromaticContact CZ-NE1 3.48Å; F622-W625 WeakPolarHBondContact O-CB 3.32Å; F622-W625 PolarHBondContact O-N 3.31Å; A623-W625 VanDerWaalsContact C-N 3.25Å; A623-W625 PolarHBondContact O-N 3.27Å; W625-W629 HydrophobicContact CE3-CE3 4.2Å; W625-W629 AromaticContact CZ3-CE3 3.83Å; W625-W629 HydrophobicContact CZ3-CE3 3.83Å; W625-W629 HydrophobicContact CZ3-CZ3 4Å; W625-W629 WeakPolarHBondContact O-CB 3.21Å; W625-W629 PolarHBondContact O-N 2.87Å; W625-G630 PolarHBondContact O-N 3.1Å; W625-I643 HydrophobicContact CB-CG2 4.38Å; W625-I643 HydrophobicContact CE3-CD1 4.26Å; W625-I643 HydrophobicContact CE3-CG2 4.21Å; W625-I643 HydrophobicContact CZ3-CD1 4.16Å; W625-I643 WeakPolarHBondContact O-CG2 3.28Å; W625-I646 HydrophobicContact CD2-CG2 4.11Å; W625-I646 HydrophobicContact CE3-CG2 4.3Å; W625-I646 HydrophobicContact CH2-CG2 3.87Å; W625-I646 HydrophobicContact CZ2-CG2 3.64Å; W625-I646 HydrophobicContact CZ3-CD1 4.45Å; W625-I646 HydrophobicContact CZ3-CG2 4.19Å; W625-H647 HydrophobicContact CB-CB 4.25Å
626	I	95.2	Very high	94.9	Very high	18 Å²	18	41.8 Å²	41.8	9%	0.092	20%	0.198	C	C	.	.	I	π-helix	trans	-84.1	-47.9	-175.6	-58.1	-53.9	0	0	0	111.1	A623 L624 G630 K631 R640 I643 H647	A623-I626 PolarHBondContact O-N 3.12Å; L624-I626 VanDerWaalsContact C-N 3.27Å; L624-I626 PolarHBondContact O-N 3.2Å; I626-G630 PolarHBondContact O-N 3.31Å; I626-K631 WeakPolarHBondContact O-CG 3.3Å; I626-K631 PolarHBondContact O-N 3.42Å; I626-R640 VanDerWaalsContact CG2-NH2 3.35Å; I626-I643 HydrophobicContact CD1-CG2 4.36Å; I626-H647 HydrophobicContact CD1-CB 3.91Å; I626-H647 HydrophobicContact CG1-CB 4.33Å
627	E	91.6	Very high	95.2	Very high	52 Å²	52	40 Å²	40	24%	0.243	19%	0.193	C	C	.	.	I	π-helix	trans	-69.1	-39.1	-170.9	-70	-58.2	134	0	0	113	Y437 A623 K631	Y437-E627 HydrophobicContact CD2-CG 4.16Å; Y437-E627 HydrophobicContact CG-CG 4.22Å; A623-E627 WeakPolarHBondContact O-CB 3.39Å; A623-E627 WeakPolarHBondContact O-CG 3.37Å; A623-E627 PolarHBondContact O-N 2.94Å; E627-K631 VanDerWaalsContact OE1-CE 3.24Å; E627-K631 WeakPolarHBondContact OE1-CE 3.48Å; E627-K631 IonicContact OE1-NZ 3.61Å; E627-K631 PolarHBondContact OE1-NZ 3.39Å; E627-K631 WeakPolarHBondContact OE2-CE 3.32Å; E627-K631 IonicContact OE2-NZ 2.79Å; E627-K631 PolarHBondContact OE2-NZ 2.95Å
628	Q	91.3	Very high	95.3	Very high	25 Å²	25	44.2 Å²	44.2	12%	0.117	22%	0.221	C	C	.	.	I	π-helix	trans	-98.3	-41.8	-179.3	-65.2	-150.3	2.5	0	0	113.6	W455 P488 L624 L632	W455-Q628 HydrophobicContact CH2-CB 4.4Å; W455-Q628 HydrophobicContact CZ3-CB 4.42Å; P488-Q628 HydrophobicContact CB-CB 4.06Å; P488-Q628 HydrophobicContact CG-CB 4.31Å; L624-Q628 HydrophobicContact CD2-CG 3.96Å; L624-Q628 PolarHBondContact O-N 2.86Å; L624-Q628 VanDerWaalsContact O-N 3.15Å; Q628-L632 VanDerWaalsContact O-CG 3.31Å; Q628-L632 WeakPolarHBondContact O-CG 3.49Å
629	W	95.6	Very high	95.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	I	π-helix	trans	-97.6	-53.2	-174.2	-156.1	-27.4	0	0	0	112.1	W455 V465 V468 F469 P488 W625 K631 L632 Y633 I643	W455-W629 HydrophobicContact CB-CZ2 3.78Å; W455-W629 HydrophobicContact CD2-CD2 4.29Å; W455-W629 HydrophobicContact CE3-CB 4.16Å; W455-W629 AromaticContact CE3-CD1 3.83Å; W455-W629 AromaticContact CE3-CD2 3.83Å; W455-W629 HydrophobicContact CE3-CD2 3.83Å; W455-W629 HydrophobicContact CE3-CE3 4.43Å; W455-W629 AromaticContact CE3-CG 3.7Å; W455-W629 HydrophobicContact CE3-CG 3.7Å; W455-W629 HydrophobicContact CG-CZ2 4.15Å; W455-W629 HydrophobicContact CZ3-CB 4.06Å; W455-W629 HydrophobicContact CZ3-CD2 4.4Å; W455-W629 HydrophobicContact CZ3-CG 4.1Å; V465-W629 HydrophobicContact CG1-CH2 3.86Å; V465-W629 HydrophobicContact CG1-CZ2 4.37Å; V465-W629 HydrophobicContact CG1-CZ3 4.21Å; V468-W629 HydrophobicContact CB-CH2 3.73Å; V468-W629 HydrophobicContact CB-CZ2 4.04Å; V468-W629 HydrophobicContact CG1-CH2 3.53Å; V468-W629 HydrophobicContact CG1-CZ2 3.91Å; V468-W629 HydrophobicContact CG2-CH2 4.23Å; V468-W629 HydrophobicContact CG2-CZ2 4.02Å; F469-W629 HydrophobicContact CD2-CH2 4.46Å; F469-W629 HydrophobicContact CD2-CZ3 4.47Å; F469-W629 HydrophobicContact CE2-CH2 4.16Å; F469-W629 AromaticContact CE2-CZ3 3.79Å; F469-W629 HydrophobicContact CE2-CZ3 3.79Å; P488-W629 HydrophobicContact CG-CB 4.23Å; P488-W629 HydrophobicContact CG-CD2 4.48Å; P488-W629 HydrophobicContact CG-CE3 3.71Å; P488-W629 HydrophobicContact CG-CZ3 4.44Å; W625-W629 HydrophobicContact CE3-CE3 4.2Å; W625-W629 AromaticContact CZ3-CE3 3.83Å; W625-W629 HydrophobicContact CZ3-CE3 3.83Å; W625-W629 HydrophobicContact CZ3-CZ3 4Å; W625-W629 WeakPolarHBondContact O-CB 3.21Å; W625-W629 PolarHBondContact O-N 2.87Å; W629-K631 VanDerWaalsContact C-N 3.32Å; W629-K631 PolarHBondContact O-N 3.2Å; W629-L632 VanDerWaalsContact O-CB 3.26Å; W629-L632 WeakPolarHBondContact O-CB 3.47Å; W629-L632 VanDerWaalsContact O-CG 3.29Å; W629-L632 WeakPolarHBondContact O-CG 3.44Å; W629-L632 PolarHBondContact O-N 3.37Å; W629-L632 VanDerWaalsContact O-N 3.1Å; W629-Y633 AromaticContact CD1-CE2 3.66Å; W629-Y633 AromaticContact NE1-CE2 3.97Å; W629-Y633 PolarHBondContact NE1-OH 3.08Å; W629-I643 HydrophobicContact CD2-CD1 4.1Å; W629-I643 HydrophobicContact CG-CD1 4.03Å; W629-I643 HydrophobicContact CG-CG1 4.48Å
630	G	96.1	Very high	95.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-59	-41.8	-176.1	0	0	0	0	0	112.4	W625 I626 L632 Y633 R640	W625-G630 PolarHBondContact O-N 3.1Å; I626-G630 PolarHBondContact O-N 3.31Å; G630-L632 PolarHBondContact O-N 3.41Å; G630-Y633 PolarHBondContact O-N 3.37Å; G630-R640 WeakPolarHBondContact O-CD 3.46Å; G630-R640 PolarHBondContact O-NH1 3.04Å
631	K	94.8	Very high	95.7	Very high	87 Å²	87	47.7 Å²	47.7	38%	0.378	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-72.1	-3.3	-178	-76.7	-178.2	-175.3	175.8	0	113.8	Y438 I626 E627 W629	Y438-K631 PolarHBondContact OH-NZ 3.28Å; I626-K631 WeakPolarHBondContact O-CG 3.3Å; I626-K631 PolarHBondContact O-N 3.42Å; E627-K631 VanDerWaalsContact OE1-CE 3.24Å; E627-K631 WeakPolarHBondContact OE1-CE 3.48Å; E627-K631 IonicContact OE1-NZ 3.61Å; E627-K631 PolarHBondContact OE1-NZ 3.39Å; E627-K631 WeakPolarHBondContact OE2-CE 3.32Å; E627-K631 IonicContact OE2-NZ 2.79Å; E627-K631 PolarHBondContact OE2-NZ 2.95Å; W629-K631 VanDerWaalsContact C-N 3.32Å; W629-K631 PolarHBondContact O-N 3.2Å
632	L	94.9	Very high	95.8	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.052	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-69.4	-27	168.8	-58.2	177.2	0	0	0	111.5	R448 L451 L452 W455 Q628 W629 G630	R448-L632 HydrophobicContact CB-CD2 4.45Å; R448-L632 HydrophobicContact CG-CD2 3.79Å; R448-L632 PolarHBondContact NH2-O 3.26Å; L451-L632 HydrophobicContact CB-CD1 3.89Å; L451-L632 HydrophobicContact CB-CD2 4.13Å; L451-L632 HydrophobicContact CD1-CD2 4.16Å; L452-L632 HydrophobicContact CD2-CB 3.81Å; L452-L632 HydrophobicContact CG-CB 4.27Å; W455-L632 HydrophobicContact CE3-CD1 3.49Å; W455-L632 VanDerWaalsContact CE3-CD1 3.49Å; W455-L632 HydrophobicContact CZ3-CD1 3.87Å; Q628-L632 VanDerWaalsContact O-CG 3.31Å; Q628-L632 WeakPolarHBondContact O-CG 3.49Å; W629-L632 VanDerWaalsContact O-CB 3.26Å; W629-L632 WeakPolarHBondContact O-CB 3.47Å; W629-L632 VanDerWaalsContact O-CG 3.29Å; W629-L632 WeakPolarHBondContact O-CG 3.44Å; W629-L632 PolarHBondContact O-N 3.37Å; W629-L632 VanDerWaalsContact O-N 3.1Å; G630-L632 PolarHBondContact O-N 3.41Å
633	Y	96.9	Very high	95.8	Very high	19 Å²	19	48.9 Å²	48.9	8%	0.075	24%	0.242	C	C	.	.	S	Bend	trans	-104.1	157.2	-176.5	-46.7	-67.2	0	0	0	112	L452 G456 E457 L459 W629 G630 S637 I643	L452-Y633 HydrophobicContact CD2-CD1 4.17Å; L452-Y633 HydrophobicContact CD2-CE1 3.79Å; G456-Y633 VanDerWaalsContact O-CE1 3.26Å; G456-Y633 WeakPolarHBondContact O-CE1 3.38Å; G456-Y633 PolarHBondContact O-OH 3.09Å; E457-Y633 WeakPolarHBondContact O-CE1 3.32Å; L459-Y633 HydrophobicContact CD1-CE2 3.85Å; L459-Y633 HydrophobicContact CG-CE2 4.41Å; W629-Y633 AromaticContact CD1-CE2 3.66Å; W629-Y633 AromaticContact NE1-CE2 3.97Å; W629-Y633 PolarHBondContact NE1-OH 3.08Å; G630-Y633 PolarHBondContact O-N 3.37Å; Y633-S637 WeakPolarHBondContact CB-OG 3.21Å; Y633-I643 HydrophobicContact CE2-CG1 4.19Å
634	E	95.9	Very high	96	Very high	159 Å²	159	50.8 Å²	50.8	74%	0.743	25%	0.248	S	C	*	.			trans	-64.2	147.5	172.4	-63.9	-174.3	170.3	0	0	110.9	E636 S637 R640	E634-E636 VanDerWaalsContact C-N 3.28Å; E634-E636 PolarHBondContact O-N 3.38Å; E634-S637 WeakPolarHBondContact O-CB 3.41Å; E634-S637 PolarHBondContact O-N 2.68Å; E634-S637 PolarHBondContact O-OG 3.35Å; E634-R640 VanDerWaalsContact O-CB 3.22Å; E634-R640 WeakPolarHBondContact O-CB 3.44Å
635	E	93.9	Very high	96.1	Very high	157 Å²	157	55.4 Å²	55.4	73%	0.734	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.3	-170	-166.6	167.4	-169.5	0	0	113.6	R640	E635-R640 WeakPolarHBondContact O-CG 3.29Å
636	E	94.8	Very high	96.2	Very high	170 Å²	170	55.4 Å²	55.4	79%	0.794	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	6.1	-178.7	-59.3	-62	152.1	0	0	113.5	E634	E634-E636 VanDerWaalsContact C-N 3.28Å; E634-E636 PolarHBondContact O-N 3.38Å
637	S	97.3	Very high	96.3	Very high	23 Å²	23	56 Å²	56	16%	0.161	27%	0.268	C	S	.	.	S	Bend	trans	-76.4	149.3	-176.1	68	0	0	0	0	112.5	Y633 E634 S639 R640 M641	Y633-S637 WeakPolarHBondContact CB-OG 3.21Å; E634-S637 WeakPolarHBondContact O-CB 3.41Å; E634-S637 PolarHBondContact O-N 2.68Å; E634-S637 PolarHBondContact O-OG 3.35Å; S637-S639 PolarHBondContact O-N 3.37Å; S637-R640 WeakPolarHBondContact O-CB 3.43Å; S637-R640 PolarHBondContact O-N 2.48Å; S637-R640 VanDerWaalsContact O-N 3.08Å; S637-R640 WeakPolarHBondContact OG-CB 3.39Å; S637-R640 PolarHBondContact OG-N 3.22Å; S637-M641 PolarHBondContact O-N 3.23Å; S637-M641 VanDerWaalsContact O-N 3.1Å
638	P	97.3	Very high	96.6	Very high	92 Å²	92	56.3 Å²	56.3	60%	0.597	27%	0.272	S	S	*	.	H	α-helix	trans	-55.2	-38.2	173.1	-26.6	35.1	0	0	0	113.2	R640 M641 I642	P638-R640 VanDerWaalsContact C-N 3.35Å; P638-R640 PolarHBondContact O-N 3.45Å; P638-M641 WeakPolarHBondContact O-CB 3.49Å; P638-M641 PolarHBondContact O-N 3.48Å; P638-I642 WeakPolarHBondContact O-CG1 3.37Å; P638-I642 PolarHBondContact O-N 3.43Å; P638-I642 VanDerWaalsContact O-N 3.08Å
639	S	97.8	Very high	96.9	Very high	8 Å²	8	57.8 Å²	57.8	6%	0.056	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-43.4	176.4	-51.4	0	0	0	0	112.2	E458 L459 S637 M641 I642 I643	E458-S639 WeakPolarHBondContact CA-OG 3.47Å; L459-S639 PolarHBondContact N-OG 3.04Å; S637-S639 PolarHBondContact O-N 3.37Å; S639-M641 VanDerWaalsContact C-N 3.35Å; S639-I642 PolarHBondContact O-N 2.82Å; S639-I643 PolarHBondContact O-N 3.35Å
640	R	97.7	Very high	97	Very high	33 Å²	33	57.9 Å²	57.9	13%	0.125	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-42.2	176	-179.5	69.3	-178.5	-153.2	0.8	111.3	I626 G630 E634 E635 S637 P638 I642 I643 Q644	I626-R640 VanDerWaalsContact CG2-NH2 3.35Å; G630-R640 WeakPolarHBondContact O-CD 3.46Å; G630-R640 PolarHBondContact O-NH1 3.04Å; E634-R640 VanDerWaalsContact O-CB 3.22Å; E634-R640 WeakPolarHBondContact O-CB 3.44Å; E635-R640 WeakPolarHBondContact O-CG 3.29Å; S637-R640 WeakPolarHBondContact O-CB 3.43Å; S637-R640 PolarHBondContact O-N 2.48Å; S637-R640 VanDerWaalsContact O-N 3.08Å; S637-R640 WeakPolarHBondContact OG-CB 3.39Å; S637-R640 PolarHBondContact OG-N 3.22Å; P638-R640 VanDerWaalsContact C-N 3.35Å; P638-R640 PolarHBondContact O-N 3.45Å; R640-I642 VanDerWaalsContact C-N 3.32Å; R640-I642 PolarHBondContact O-N 3.44Å; R640-I643 PolarHBondContact O-N 3.19Å; R640-Q644 VanDerWaalsContact O-CB 3.3Å; R640-Q644 WeakPolarHBondContact O-CB 3.38Å; R640-Q644 PolarHBondContact O-N 3.02Å
641	M	97.8	Very high	97.2	Very high	127 Å²	127	58.9 Å²	58.9	63%	0.626	29%	0.285	S	S	*	.	H	α-helix	trans	-61.5	-38.2	178.2	-64.9	179.3	69.4	0	0	112.5	S637 P638 S639 Q644 Y645	S637-M641 PolarHBondContact O-N 3.23Å; S637-M641 VanDerWaalsContact O-N 3.1Å; P638-M641 WeakPolarHBondContact O-CB 3.49Å; P638-M641 PolarHBondContact O-N 3.48Å; S639-M641 VanDerWaalsContact C-N 3.35Å; M641-Q644 PolarHBondContact O-N 3.2Å; M641-Y645 VanDerWaalsContact O-CB 3.31Å; M641-Y645 WeakPolarHBondContact O-CB 3.46Å; M641-Y645 PolarHBondContact O-N 2.89Å
642	I	98.3	Very high	97.4	Very high	26 Å²	26	54.7 Å²	54.7	13%	0.133	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-48.9	177.1	-68	162.3	0	0	0	110.9	L459 E462 V465 P638 S639 R640 Q644 Y645 I646	L459-I642 HydrophobicContact CB-CD1 3.87Å; L459-I642 VanDerWaalsContact O-CD1 3.23Å; L459-I642 WeakPolarHBondContact O-CD1 3.36Å; E462-I642 HydrophobicContact CG-CG2 4.48Å; V465-I642 HydrophobicContact CG2-CG2 4.28Å; P638-I642 WeakPolarHBondContact O-CG1 3.37Å; P638-I642 PolarHBondContact O-N 3.43Å; P638-I642 VanDerWaalsContact O-N 3.08Å; S639-I642 PolarHBondContact O-N 2.82Å; R640-I642 VanDerWaalsContact C-N 3.32Å; R640-I642 PolarHBondContact O-N 3.44Å; I642-Q644 VanDerWaalsContact C-N 3.31Å; I642-Q644 PolarHBondContact O-N 3.03Å; I642-Y645 WeakPolarHBondContact O-CB 3.26Å; I642-Y645 PolarHBondContact O-N 2.85Å; I642-I646 HydrophobicContact CG2-CD1 4.33Å; I642-I646 WeakPolarHBondContact O-CG1 3.49Å; I642-I646 PolarHBondContact O-N 3.26Å
643	I	98.3	Very high	97.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-40.1	178.6	-62.3	-60.8	0	0	0	111.1	L459 V465 W625 I626 W629 Y633 S639 R640 I646 H647	L459-I643 HydrophobicContact CD1-CD1 3.68Å; L459-I643 HydrophobicContact CD1-CG1 3.79Å; V465-I643 HydrophobicContact CG2-CD1 3.93Å; W625-I643 HydrophobicContact CB-CG2 4.38Å; W625-I643 HydrophobicContact CE3-CD1 4.26Å; W625-I643 HydrophobicContact CE3-CG2 4.21Å; W625-I643 HydrophobicContact CZ3-CD1 4.16Å; W625-I643 WeakPolarHBondContact O-CG2 3.28Å; I626-I643 HydrophobicContact CD1-CG2 4.36Å; W629-I643 HydrophobicContact CD2-CD1 4.1Å; W629-I643 HydrophobicContact CG-CD1 4.03Å; W629-I643 HydrophobicContact CG-CG1 4.48Å; Y633-I643 HydrophobicContact CE2-CG1 4.19Å; S639-I643 PolarHBondContact O-N 3.35Å; R640-I643 PolarHBondContact O-N 3.19Å; I643-I646 PolarHBondContact O-N 3.45Å; I643-H647 WeakPolarHBondContact O-CB 3.3Å; I643-H647 PolarHBondContact O-N 3.27Å
644	Q	98	Very high	97.6	Very high	58 Å²	58	53.6 Å²	53.6	27%	0.271	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-41.9	175.9	-169.5	62.8	58.4	0	0	111.5	R640 M641 I642 I646 H647 D648	R640-Q644 VanDerWaalsContact O-CB 3.3Å; R640-Q644 WeakPolarHBondContact O-CB 3.38Å; R640-Q644 PolarHBondContact O-N 3.02Å; M641-Q644 PolarHBondContact O-N 3.2Å; I642-Q644 VanDerWaalsContact C-N 3.31Å; I642-Q644 PolarHBondContact O-N 3.03Å; Q644-I646 PolarHBondContact O-N 2.91Å; Q644-H647 PolarHBondContact NE2-ND1 3.29Å; Q644-H647 WeakPolarHBondContact O-CB 3.29Å; Q644-H647 PolarHBondContact O-N 3.42Å; Q644-D648 VanDerWaalsContact NE2-CG 3.3Å; Q644-D648 PolarHBondContact NE2-OD1 3.18Å; Q644-D648 PolarHBondContact NE2-OD2 3.49Å; Q644-D648 WeakPolarHBondContact O-CB 3.26Å; Q644-D648 PolarHBondContact O-N 3.1Å
645	Y	98.1	Very high	97.8	Very high	100 Å²	100	46 Å²	46	39%	0.392	23%	0.227	S	C	.	.	H	α-helix	trans	-60.1	-45.4	175.9	175.1	-96	0	0	0	112.1	E462 M641 I642 D648 N649 Y650	E462-Y645 HydrophobicContact CG-CD1 4.45Å; E462-Y645 VanDerWaalsContact OE1-CE1 3.24Å; E462-Y645 WeakPolarHBondContact OE1-CE1 3.31Å; M641-Y645 VanDerWaalsContact O-CB 3.31Å; M641-Y645 WeakPolarHBondContact O-CB 3.46Å; M641-Y645 PolarHBondContact O-N 2.89Å; I642-Y645 WeakPolarHBondContact O-CB 3.26Å; I642-Y645 PolarHBondContact O-N 2.85Å; Y645-D648 PolarHBondContact O-N 3.12Å; Y645-N649 VanDerWaalsContact CD2-ND2 3.26Å; Y645-N649 WeakPolarHBondContact CD2-ND2 3.18Å; Y645-N649 HydrophobicContact CE2-CB 4.39Å; Y645-N649 WeakPolarHBondContact CE2-ND2 3.32Å; Y645-N649 WeakPolarHBondContact O-CB 3.35Å; Y645-N649 PolarHBondContact O-N 3.2Å; Y645-N649 VanDerWaalsContact O-N 3.09Å; Y645-N649 PolarHBondContact O-ND2 2.71Å; Y645-Y650 HydrophobicContact CE1-CE1 4.33Å
646	I	98.3	Very high	98	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.6	-51.4	175.7	-68.1	171.6	0	0	0	109.8	E462 V465 W625 I642 I643 Q644 D648 N649 Y650	E462-I646 HydrophobicContact CG-CD1 4.5Å; E462-I646 HydrophobicContact CG-CG1 4.39Å; V465-I646 HydrophobicContact CB-CD1 4.11Å; V465-I646 HydrophobicContact CG1-CD1 4.12Å; V465-I646 HydrophobicContact CG2-CD1 3.78Å; W625-I646 HydrophobicContact CD2-CG2 4.11Å; W625-I646 HydrophobicContact CE3-CG2 4.3Å; W625-I646 HydrophobicContact CH2-CG2 3.87Å; W625-I646 HydrophobicContact CZ2-CG2 3.64Å; W625-I646 HydrophobicContact CZ3-CD1 4.45Å; W625-I646 HydrophobicContact CZ3-CG2 4.19Å; I642-I646 HydrophobicContact CG2-CD1 4.33Å; I642-I646 WeakPolarHBondContact O-CG1 3.49Å; I642-I646 PolarHBondContact O-N 3.26Å; I643-I646 PolarHBondContact O-N 3.45Å; Q644-I646 PolarHBondContact O-N 2.91Å; I646-D648 VanDerWaalsContact C-N 3.29Å; I646-D648 PolarHBondContact O-N 3.46Å; I646-N649 PolarHBondContact O-N 3.36Å; I646-Y650 HydrophobicContact CB-CD1 4.2Å; I646-Y650 HydrophobicContact CB-CE1 4.29Å; I646-Y650 HydrophobicContact CB-CG 4.45Å; I646-Y650 HydrophobicContact CG1-CD1 4.3Å; I646-Y650 HydrophobicContact CG1-CE1 3.87Å; I646-Y650 HydrophobicContact CG1-CE2 4.5Å; I646-Y650 HydrophobicContact CG2-CD1 4.05Å; I646-Y650 HydrophobicContact CG2-CD2 3.84Å; I646-Y650 HydrophobicContact CG2-CE1 4.34Å; I646-Y650 HydrophobicContact CG2-CE2 4.15Å; I646-Y650 HydrophobicContact CG2-CG 3.8Å; I646-Y650 WeakPolarHBondContact O-CB 3.48Å; I646-Y650 PolarHBondContact O-N 2.9Å
647	H	98.3	Very high	98.2	Very high	29 Å²	29	30.5 Å²	30.5	13%	0.134	15%	0.154	C	C	.	.	H	α-helix	trans	-53.9	-43.3	178.3	170.1	-87.7	0	0	0	113	F622 W625 I626 I643 Q644	F622-H647 WeakPolarHBondContact CD1-O 3.5Å; F622-H647 WeakPolarHBondContact CE1-O 3.42Å; F622-H647 PolarHBondContact O-CD2 3.48Å; F622-H647 VanDerWaalsContact O-CD2 3.28Å; W625-H647 HydrophobicContact CB-CB 4.25Å; I626-H647 HydrophobicContact CD1-CB 3.91Å; I626-H647 HydrophobicContact CG1-CB 4.33Å; I643-H647 WeakPolarHBondContact O-CB 3.3Å; I643-H647 PolarHBondContact O-N 3.27Å; Q644-H647 PolarHBondContact NE2-ND1 3.29Å; Q644-H647 WeakPolarHBondContact O-CB 3.29Å; Q644-H647 PolarHBondContact O-N 3.42Å
648	D	97.8	Very high	98.2	Very high	59 Å²	59	31.1 Å²	31.1	32%	0.316	16%	0.156	S	C	.	.	H	α-helix	trans	-82	-24.5	-172	-66.5	-19.8	0	0	0	113.9	Q578 Q644 Y645 I646	Q578-D648 PolarHBondContact NE2-O 2.89Å; Q644-D648 VanDerWaalsContact NE2-CG 3.3Å; Q644-D648 PolarHBondContact NE2-OD1 3.18Å; Q644-D648 PolarHBondContact NE2-OD2 3.49Å; Q644-D648 WeakPolarHBondContact O-CB 3.26Å; Q644-D648 PolarHBondContact O-N 3.1Å; Y645-D648 PolarHBondContact O-N 3.12Å; I646-D648 VanDerWaalsContact C-N 3.29Å; I646-D648 PolarHBondContact O-N 3.46Å
649	N	97.5	Very high	98.2	Very high	56 Å²	56	30.8 Å²	30.8	30%	0.299	15%	0.147	S	C	.	.	H	α-helix	trans	-119.4	-21.9	-168.6	-62.6	-79.5	0	0	0	115.2	Y645 I646	Y645-N649 VanDerWaalsContact CD2-ND2 3.26Å; Y645-N649 WeakPolarHBondContact CD2-ND2 3.18Å; Y645-N649 HydrophobicContact CE2-CB 4.39Å; Y645-N649 WeakPolarHBondContact CE2-ND2 3.32Å; Y645-N649 WeakPolarHBondContact O-CB 3.35Å; Y645-N649 PolarHBondContact O-N 3.2Å; Y645-N649 VanDerWaalsContact O-N 3.09Å; Y645-N649 PolarHBondContact O-ND2 2.71Å; I646-N649 PolarHBondContact O-N 3.36Å
650	Y	98.5	Very high	98.1	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.012	15%	0.154	C	C	.	.			trans	-77.5	159.1	-179.8	-79.8	41.8	0	0	0	111.5	E462 F466 L514 F550 T551 F622 Y645 I646	E462-Y650 VanDerWaalsContact OE2-CE1 3.29Å; E462-Y650 WeakPolarHBondContact OE2-CE1 3.49Å; E462-Y650 VanDerWaalsContact OE2-CZ 3.27Å; E462-Y650 PolarHBondContact OE2-OH 2.79Å; F466-Y650 WeakPolarHBondContact CE1-OH 3.29Å; F466-Y650 WeakPolarHBondContact CZ-OH 3.37Å; L514-Y650 HydrophobicContact CD1-CE2 4.22Å; F550-Y650 HydrophobicContact CB-CD2 4.21Å; T551-Y650 WeakPolarHBondContact O-CA 3.47Å; T551-Y650 WeakPolarHBondContact O-CB 3.13Å; T551-Y650 WeakPolarHBondContact O-CD2 3.37Å; F622-Y650 WeakPolarHBondContact CZ-O 3.19Å; Y645-Y650 HydrophobicContact CE1-CE1 4.33Å; I646-Y650 HydrophobicContact CB-CD1 4.2Å; I646-Y650 HydrophobicContact CB-CE1 4.29Å; I646-Y650 HydrophobicContact CB-CG 4.45Å; I646-Y650 HydrophobicContact CG1-CD1 4.3Å; I646-Y650 HydrophobicContact CG1-CE1 3.87Å; I646-Y650 HydrophobicContact CG1-CE2 4.5Å; I646-Y650 HydrophobicContact CG2-CD1 4.05Å; I646-Y650 HydrophobicContact CG2-CD2 3.84Å; I646-Y650 HydrophobicContact CG2-CE1 4.34Å; I646-Y650 HydrophobicContact CG2-CE2 4.15Å; I646-Y650 HydrophobicContact CG2-CG 3.8Å; I646-Y650 WeakPolarHBondContact O-CB 3.48Å; I646-Y650 PolarHBondContact O-N 2.9Å
651	F	98.7	Very high	98	Very high	20 Å²	20	36.1 Å²	36.1	9%	0.088	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	144.3	171.7	-69.5	-99.4	0	0	0	110	F550 T551 R553 V556 I574 V575 D576 V653	F550-F651 VanDerWaalsContact CA-O 3.31Å; F550-F651 WeakPolarHBondContact CA-O 3.33Å; T551-F651 PolarHBondContact N-O 3.43Å; T551-F651 PolarHBondContact O-N 3.26Å; R553-F651 HydrophobicContact CB-CD2 4.45Å; R553-F651 HydrophobicContact CB-CE2 3.9Å; R553-F651 HydrophobicContact CG-CE2 3.92Å; V556-F651 HydrophobicContact CB-CD2 4.27Å; V556-F651 HydrophobicContact CG1-CD2 4.49Å; V556-F651 HydrophobicContact CG1-CG 4.45Å; V556-F651 HydrophobicContact CG2-CB 3.71Å; V556-F651 HydrophobicContact CG2-CD2 3.92Å; V556-F651 HydrophobicContact CG2-CG 3.91Å; I574-F651 HydrophobicContact CG2-CB 3.97Å; I574-F651 HydrophobicContact CG2-CD1 3.6Å; I574-F651 HydrophobicContact CG2-CE1 4.45Å; I574-F651 HydrophobicContact CG2-CG 4.03Å; V575-F651 WeakPolarHBondContact O-CA 3.25Å; D576-F651 HydrophobicContact CB-CD1 3.85Å; D576-F651 HydrophobicContact CB-CE1 3.67Å; D576-F651 HydrophobicContact CB-CZ 4.19Å; F651-V653 HydrophobicContact CB-CG2 4.36Å
652	L	98.8	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129.6	163.8	-177.6	63.9	0	0	0	108.7	I516 E548 F550 I574 V575 F614 K618 A621 F622	I516-L652 HydrophobicContact CD1-CD1 3.83Å; E548-L652 HydrophobicContact CG-CD1 4.12Å; F550-L652 HydrophobicContact CD1-CB 4.13Å; F550-L652 HydrophobicContact CD1-CD1 4.19Å; F550-L652 HydrophobicContact CD2-CD1 4.18Å; F550-L652 HydrophobicContact CE1-CB 3.82Å; F550-L652 HydrophobicContact CE1-CD1 3.95Å; F550-L652 HydrophobicContact CE1-CG 4.34Å; F550-L652 HydrophobicContact CE2-CD1 3.93Å; F550-L652 HydrophobicContact CG-CD1 4.31Å; F550-L652 HydrophobicContact CZ-CB 4.42Å; F550-L652 HydrophobicContact CZ-CD1 3.81Å; F550-L652 HydrophobicContact CZ-CG 4.48Å; I574-L652 WeakPolarHBondContact CA-O 3.24Å; V575-L652 HydrophobicContact CG1-CB 4.16Å; V575-L652 PolarHBondContact N-O 3.43Å; V575-L652 PolarHBondContact O-N 3.45Å; F614-L652 HydrophobicContact CE2-CD2 3.86Å; F614-L652 HydrophobicContact CE2-CG 4.15Å; F614-L652 HydrophobicContact CZ-CD2 3.83Å; F614-L652 HydrophobicContact CZ-CG 3.75Å; K618-L652 HydrophobicContact CB-CD2 3.88Å; A621-L652 HydrophobicContact CB-CD2 3.87Å; F622-L652 HydrophobicContact CE2-CB 3.85Å; F622-L652 HydrophobicContact CZ-CB 4.19Å
653	V	98.8	Very high	97.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.6	-175.3	-175.4	0	0	0	0	109.4	E548 F549 T551 V556 L559 H573 I574 F651 L655	E548-V653 CarbonylContact C-O 3.54Å; E548-V653 VanDerWaalsContact CA-O 3.24Å; E548-V653 WeakPolarHBondContact CA-O 3.33Å; F549-V653 HydrophobicContact CD2-CB 4.17Å; F549-V653 HydrophobicContact CD2-CG2 4.45Å; F549-V653 HydrophobicContact CE1-CB 4.19Å; F549-V653 HydrophobicContact CE1-CG1 4.09Å; F549-V653 HydrophobicContact CE2-CB 3.78Å; F549-V653 HydrophobicContact CE2-CG1 4.21Å; F549-V653 HydrophobicContact CE2-CG2 3.95Å; F549-V653 HydrophobicContact CZ-CB 3.8Å; F549-V653 HydrophobicContact CZ-CG1 3.74Å; F549-V653 HydrophobicContact CZ-CG2 4.34Å; F549-V653 PolarHBondContact N-O 2.93Å; F549-V653 PolarHBondContact O-N 3.31Å; T551-V653 HydrophobicContact CG2-CG2 4.46Å; V556-V653 HydrophobicContact CG2-CG2 4.21Å; L559-V653 HydrophobicContact CD2-CG1 4.16Å; H573-V653 WeakPolarHBondContact O-CA 3.47Å; I574-V653 HydrophobicContact CB-CG2 4.43Å; I574-V653 HydrophobicContact CG1-CB 4.29Å; I574-V653 HydrophobicContact CG1-CG1 3.74Å; I574-V653 HydrophobicContact CG1-CG2 3.9Å; I574-V653 HydrophobicContact CG2-CG2 4.16Å; F651-V653 HydrophobicContact CB-CG2 4.36Å; V653-L655 HydrophobicContact CG1-CD2 4.01Å; V653-L655 HydrophobicContact CG1-CG 4.14Å
654	N	98.6	Very high	97.7	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.027	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.3	162.5	78.6	75.1	0	0	0	111.5	Y546 L547 E548 F572 H573 F614	Y546-N654 HydrophobicContact CE2-CB 3.82Å; L547-N654 CarbonylContact O-C 3.59Å; L547-N654 WeakPolarHBondContact O-CA 3.35Å; E548-N654 HydrophobicContact CB-CB 4.35Å; E548-N654 HydrophobicContact CG-CB 4.24Å; F572-N654 WeakPolarHBondContact CA-O 3.48Å; H573-N654 WeakPolarHBondContact CB-ND2 3.45Å; H573-N654 PolarHBondContact N-O 3.45Å; H573-N654 PolarHBondContact O-N 3.26Å; F614-N654 WeakPolarHBondContact CD2-ND2 3.12Å; F614-N654 WeakPolarHBondContact CE1-ND2 3.44Å; F614-N654 HydrophobicContact CE2-CB 4.15Å; F614-N654 WeakPolarHBondContact CE2-ND2 3.36Å; F614-N654 HydrophobicContact CZ-CB 4.19Å; F614-N654 WeakPolarHBondContact CZ-ND2 3.45Å
655	L	98.8	Very high	97.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.7	-179.8	-56.8	179.5	0	0	0	110.3	Y546 L547 F549 L563 V570 N571 F572 V653 L666	Y546-L655 WeakPolarHBondContact CA-O 3.12Å; L547-L655 PolarHBondContact N-O 3.29Å; L547-L655 PolarHBondContact O-N 3.48Å; F549-L655 HydrophobicContact CE1-CD1 3.96Å; F549-L655 HydrophobicContact CE1-CG 4.28Å; F549-L655 HydrophobicContact CZ-CD1 4.32Å; L563-L655 HydrophobicContact CD1-CD2 4.5Å; L563-L655 HydrophobicContact CD2-CD2 4.28Å; V570-L655 HydrophobicContact CG1-CB 4.43Å; V570-L655 HydrophobicContact CG1-CD2 4.29Å; N571-L655 WeakPolarHBondContact O-CA 3.48Å; F572-L655 HydrophobicContact CB-CD2 3.44Å; F572-L655 VanDerWaalsContact CB-CD2 3.44Å; V653-L655 HydrophobicContact CG1-CD2 4.01Å; V653-L655 HydrophobicContact CG1-CG 4.14Å; L655-L666 HydrophobicContact CB-CD1 4.38Å; L655-L666 HydrophobicContact CB-CD2 3.88Å
656	V	98.8	Very high	97.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.2	174.9	179.3	0	0	0	0	109.5	K544 A545 Y546 V570 N571 V593 V609	K544-V656 HydrophobicContact CB-CG1 4.08Å; K544-V656 HydrophobicContact CD-CG1 3.97Å; A545-V656 WeakPolarHBondContact O-CA 3.29Å; Y546-V656 HydrophobicContact CD2-CG2 3.91Å; Y546-V656 HydrophobicContact CE2-CG2 4.43Å; V570-V656 VanDerWaalsContact CA-O 3.31Å; V570-V656 WeakPolarHBondContact CA-O 3.45Å; N571-V656 HydrophobicContact CB-CB 4.36Å; N571-V656 PolarHBondContact N-O 3.39Å; N571-V656 PolarHBondContact O-N 3.03Å; V593-V656 HydrophobicContact CG1-CG1 3.9Å; V593-V656 HydrophobicContact CG1-CG2 4.11Å; V609-V656 HydrophobicContact CB-CG2 4.27Å; V609-V656 HydrophobicContact CG1-CG2 4.33Å; V609-V656 HydrophobicContact CG2-CG2 3.79Å
657	D	98.6	Very high	97.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	114.8	166.7	-175.4	0.4	0	0	0	109.7	K544 A545 R569 E659 C665 L666	K544-D657 WeakPolarHBondContact CB-O 3.29Å; A545-D657 HydrophobicContact CB-CB 4.18Å; A545-D657 PolarHBondContact O-N 3.46Å; R569-D657 WeakPolarHBondContact CG-OD1 3.44Å; R569-D657 IonicContact CZ-OD1 3.5Å; R569-D657 IonicContact CZ-OD2 2.83Å; R569-D657 IonicContact NE-OD1 3.48Å; R569-D657 PolarHBondContact NE-OD1 3.11Å; R569-D657 IonicContact NE-OD2 2.74Å; R569-D657 PolarHBondContact NE-OD2 3.35Å; R569-D657 IonicContact NH2-OD1 2.73Å; R569-D657 PolarHBondContact NH2-OD1 3.23Å; R569-D657 IonicContact NH2-OD2 3.3Å; R569-D657 PolarHBondContact NH2-OD2 3.19Å; D657-E659 VanDerWaalsContact C-N 3.32Å; D657-E659 PolarHBondContact O-N 3.43Å; D657-E659 PolarHBondContact OD1-N 3.18Å; D657-E659 VanDerWaalsContact OD1-N 3.07Å; D657-C665 VanDerWaalsContact CG-SG 3.59Å; D657-C665 PolarHBondContact OD2-N 3.34Å; D657-C665 VanDerWaalsContact OD2-N 3.07Å; D657-C665 PolarHBondContact OD2-SG 3.28Å; D657-L666 HydrophobicContact CB-CD2 4.17Å; D657-L666 HydrophobicContact CB-CG 4.13Å
658	N	98	Very high	97.6	Very high	36 Å²	36	38.9 Å²	38.9	19%	0.193	20%	0.196	C	C	.	.	S	Bend	trans	-74.5	-21.5	-178	-72.4	-66.2	0	0	0	113.9	K544 R569 N571 N591 F660	K544-N658 PolarHBondContact NZ-OD1 2.82Å; R569-N658 WeakPolarHBondContact O-CB 3.48Å; R569-N658 PolarHBondContact O-N 3.47Å; R569-N658 VanDerWaalsContact O-N 3.08Å; R569-N658 PolarHBondContact O-ND2 2.77Å; N571-N658 PolarHBondContact OD1-ND2 2.74Å; N591-N658 PolarHBondContact ND2-OD1 3.3Å; N658-F660 VanDerWaalsContact C-N 3.34Å; N658-F660 PolarHBondContact O-N 3.19Å; N658-F660 VanDerWaalsContact O-N 3.08Å
659	E	97.3	Very high	97.6	Very high	86 Å²	86	36.1 Å²	36.1	40%	0.402	18%	0.181	S	C	.	.			trans	-87.3	69.4	-176.1	-67.7	-64.6	154.7	0	0	111.2	R569 D657 L661 L662	R569-E659 HydrophobicContact CG-CB 4.43Å; R569-E659 HydrophobicContact CG-CG 3.93Å; D657-E659 VanDerWaalsContact C-N 3.32Å; D657-E659 PolarHBondContact O-N 3.43Å; D657-E659 PolarHBondContact OD1-N 3.18Å; D657-E659 VanDerWaalsContact OD1-N 3.07Å; E659-L661 PolarHBondContact O-N 3.28Å; E659-L662 HydrophobicContact CB-CB 4.33Å; E659-L662 HydrophobicContact CB-CD1 4.04Å; E659-L662 HydrophobicContact CB-CG 4.23Å; E659-L662 HydrophobicContact CG-CD1 4.35Å; E659-L662 PolarHBondContact O-N 3.13Å
660	F	95.4	Very high	97.5	Very high	50 Å²	50	33.6 Å²	33.6	22%	0.219	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.3	-176.9	66.9	-86.7	0	0	0	114.8	N521 F542 Q543 K544 W595 N658	N521-F660 PolarHBondContact ND2-O 2.9Å; F542-F660 HydrophobicContact CD1-CD2 4.38Å; F542-F660 AromaticContact CD1-CE2 3.98Å; F542-F660 HydrophobicContact CD1-CE2 3.98Å; F542-F660 HydrophobicContact CE1-CE2 4.44Å; Q543-F660 WeakPolarHBondContact O-CB 3.5Å; K544-F660 HydrophobicContact CG-CB 4.23Å; W595-F660 AromaticContact CH2-CD1 3.88Å; W595-F660 HydrophobicContact CH2-CD1 3.88Å; W595-F660 HydrophobicContact CH2-CE1 4.08Å; W595-F660 HydrophobicContact CH2-CG 4.14Å; W595-F660 HydrophobicContact CZ2-CD1 4.25Å; W595-F660 HydrophobicContact CZ2-CD2 4.5Å; W595-F660 HydrophobicContact CZ2-CE1 4.04Å; W595-F660 HydrophobicContact CZ2-CE2 4.3Å; W595-F660 HydrophobicContact CZ2-CG 4.48Å; W595-F660 HydrophobicContact CZ2-CZ 4.07Å; N658-F660 VanDerWaalsContact C-N 3.34Å; N658-F660 PolarHBondContact O-N 3.19Å; N658-F660 VanDerWaalsContact O-N 3.08Å
661	L	94.9	Very high	97.4	Very high	102 Å²	102	35.9 Å²	35.9	53%	0.534	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-23.7	176.9	-63.6	177.3	0	0	0	113.3	N523 E659	N523-L661 VanDerWaalsContact ND2-CD2 3.33Å; N523-L661 WeakPolarHBondContact ND2-CD2 3.25Å; N523-L661 WeakPolarHBondContact OD1-CD2 3.5Å; E659-L661 PolarHBondContact O-N 3.28Å
662	L	95.9	Very high	97.3	Very high	88 Å²	88	35.8 Å²	35.8	46%	0.461	18%	0.179	S	C	.	.	S	Bend	trans	-98.6	168.7	-176.3	-59	-178.1	0	0	0	110.7	N521 E659	N521-L662 PolarHBondContact ND2-O 3.35Å; E659-L662 HydrophobicContact CB-CB 4.33Å; E659-L662 HydrophobicContact CB-CD1 4.04Å; E659-L662 HydrophobicContact CB-CG 4.23Å; E659-L662 HydrophobicContact CG-CD1 4.35Å; E659-L662 PolarHBondContact O-N 3.13Å
663	D	95.6	Very high	97.2	Very high	150 Å²	150	35.9 Å²	35.9	80%	0.802	18%	0.18	S	C	*	.			trans	-61.7	141.6	170.8	-63.6	-30.9	0	0	0	110.5	R569 C665	R569-D663 PolarHBondContact NH2-O 2.77Å; D663-C665 PolarHBondContact O-N 3.16Å; D663-C665 VanDerWaalsContact O-N 3.15Å
664	N	96.4	Very high	97.1	Very high	26 Å²	26	37.1 Å²	37.1	14%	0.139	19%	0.185	C	C	.	.			trans	-57.8	114.1	-177.4	178.9	0.6	0	0	0	111.2	A545 L666 W667	A545-N664 HydrophobicContact CB-CB 4.2Å; N664-L666 VanDerWaalsContact OD1-CB 3.23Å; N664-L666 WeakPolarHBondContact OD1-CB 3.24Å; N664-L666 WeakPolarHBondContact OD1-CG 3.3Å; N664-L666 PolarHBondContact OD1-N 3.15Å; N664-W667 PolarHBondContact ND2-NE1 2.99Å
665	C	97.6	Very high	96.9	Very high	10 Å²	10	42.8 Å²	42.8	7%	0.068	21%	0.212	C	C	.	.			trans	-83.3	-10.1	-179.5	73.3	0	0	0	0	114.3	R569 D657 D663 W667 Q668 V669	R569-C665 PolarHBondContact NE-SG 3.39Å; R569-C665 VanDerWaalsContact NE-SG 3.41Å; D657-C665 VanDerWaalsContact CG-SG 3.59Å; D657-C665 PolarHBondContact OD2-N 3.34Å; D657-C665 VanDerWaalsContact OD2-N 3.07Å; D657-C665 PolarHBondContact OD2-SG 3.28Å; D663-C665 PolarHBondContact O-N 3.16Å; D663-C665 VanDerWaalsContact O-N 3.15Å; C665-W667 PolarHBondContact O-N 3.46Å; C665-Q668 WeakPolarHBondContact O-CB 3.36Å; C665-Q668 PolarHBondContact O-N 3.42Å; C665-V669 WeakPolarHBondContact O-CG2 3.48Å; C665-V669 PolarHBondContact O-N 2.8Å
666	L	98	Very high	96.7	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-32.5	-175.6	-59.2	-176.1	0	0	0	111.6	A545 L547 V570 L655 D657 N664 Q668 V669 V670	A545-L666 HydrophobicContact CB-CD1 4.26Å; L547-L666 HydrophobicContact CB-CD1 3.83Å; V570-L666 HydrophobicContact CG1-CD2 4.27Å; V570-L666 HydrophobicContact CG2-CD2 4.27Å; L655-L666 HydrophobicContact CB-CD1 4.38Å; L655-L666 HydrophobicContact CB-CD2 3.88Å; D657-L666 HydrophobicContact CB-CD2 4.17Å; D657-L666 HydrophobicContact CB-CG 4.13Å; N664-L666 VanDerWaalsContact OD1-CB 3.23Å; N664-L666 WeakPolarHBondContact OD1-CB 3.24Å; N664-L666 WeakPolarHBondContact OD1-CG 3.3Å; N664-L666 PolarHBondContact OD1-N 3.15Å; L666-Q668 VanDerWaalsContact C-N 3.35Å; L666-Q668 PolarHBondContact O-N 3.38Å; L666-V669 WeakPolarHBondContact O-CB 3.45Å; L666-V669 PolarHBondContact O-N 3.26Å; L666-V670 WeakPolarHBondContact O-CG2 3.26Å; L666-V670 PolarHBondContact O-N 3.44Å
667	W	97.6	Very high	96.4	Very high	32 Å²	32	47.5 Å²	47.5	12%	0.121	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-35.6	175	-54.7	133.8	0	0	0	113.3	M501 E504 L505 R507 V508 L547 N664 C665 E671	M501-W667 HydrophobicContact CB-CZ2 3.88Å; M501-W667 HydrophobicContact CG-CZ2 4.4Å; M501-W667 HydrophobicContact SD-CH2 4.28Å; M501-W667 HydrophobicContact SD-CZ2 3.91Å; E504-W667 HydrophobicContact CB-CD2 3.56Å; E504-W667 VanDerWaalsContact CB-CE2 3.42Å; E504-W667 HydrophobicContact CB-CE3 3.83Å; E504-W667 HydrophobicContact CB-CG 4.16Å; E504-W667 HydrophobicContact CB-CH2 3.91Å; E504-W667 HydrophobicContact CB-CZ2 3.64Å; E504-W667 HydrophobicContact CB-CZ3 3.98Å; E504-W667 HydrophobicContact CG-CD2 4.01Å; E504-W667 HydrophobicContact CG-CG 4.07Å; E504-W667 HydrophobicContact CG-CZ2 4.44Å; L505-W667 HydrophobicContact CD2-CH2 3.74Å; L505-W667 HydrophobicContact CD2-CZ3 4.37Å; L505-W667 HydrophobicContact CG-CH2 3.98Å; R507-W667 PolarHBondContact NH2-O 2.91Å; V508-W667 HydrophobicContact CG1-CE3 4.08Å; V508-W667 HydrophobicContact CG1-CZ3 4.14Å; V508-W667 HydrophobicContact CG2-CZ3 4.18Å; L547-W667 HydrophobicContact CD1-CH2 3.97Å; L547-W667 HydrophobicContact CD1-CZ3 4.15Å; L547-W667 HydrophobicContact CD2-CZ3 4.03Å; N664-W667 PolarHBondContact ND2-NE1 2.99Å; C665-W667 PolarHBondContact O-N 3.46Å; W667-E671 WeakPolarHBondContact O-CG 3.43Å; W667-E671 PolarHBondContact O-N 3.37Å
668	Q	97.3	Very high	95.9	Very high	92 Å²	92	52.6 Å²	52.6	43%	0.43	26%	0.263	S	S	.	.	H	α-helix	trans	-74.2	-36.4	175.6	-172	62.3	50.3	0	0	111.3	C665 L666 V670 E671 D672	C665-Q668 WeakPolarHBondContact O-CB 3.36Å; C665-Q668 PolarHBondContact O-N 3.42Å; L666-Q668 VanDerWaalsContact C-N 3.35Å; L666-Q668 PolarHBondContact O-N 3.38Å; Q668-V670 PolarHBondContact O-N 3.33Å; Q668-E671 PolarHBondContact O-N 3.08Å; Q668-D672 PolarHBondContact NE2-OD1 3.21Å; Q668-D672 WeakPolarHBondContact O-CB 3.36Å; Q668-D672 VanDerWaalsContact O-CG 3.31Å; Q668-D672 PolarHBondContact O-N 3.1Å
669	V	97.7	Very high	94.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.1	-42	174.4	173.1	0	0	0	0	110.9	L559 V562 L563 Y566 V570 C665 L666 T673	L559-V669 HydrophobicContact CD1-CG1 3.62Å; V562-V669 HydrophobicContact CG1-CG1 4.32Å; L563-V669 HydrophobicContact CD2-CG1 4.15Å; Y566-V669 HydrophobicContact CD1-CG2 3.91Å; Y566-V669 HydrophobicContact CD2-CG2 3.9Å; Y566-V669 HydrophobicContact CE1-CG2 3.94Å; Y566-V669 HydrophobicContact CE2-CG2 3.93Å; Y566-V669 HydrophobicContact CG-CG2 3.9Å; V570-V669 HydrophobicContact CG2-CG2 4.43Å; C665-V669 WeakPolarHBondContact O-CG2 3.48Å; C665-V669 PolarHBondContact O-N 2.8Å; L666-V669 WeakPolarHBondContact O-CB 3.45Å; L666-V669 PolarHBondContact O-N 3.26Å; V669-T673 PolarHBondContact O-N 2.76Å; V669-T673 PolarHBondContact O-OG1 2.92Å
670	V	96.4	Very high	92.9	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-67.3	-44.8	176.6	177.6	0	0	0	0	111.3	V508 I513 L666 Q668 T673 F674	V508-V670 HydrophobicContact CB-CG1 4.29Å; V508-V670 HydrophobicContact CG1-CB 4.23Å; V508-V670 HydrophobicContact CG1-CG1 3.73Å; V508-V670 HydrophobicContact CG1-CG2 4.36Å; I513-V670 HydrophobicContact CG1-CG1 4.03Å; L666-V670 WeakPolarHBondContact O-CG2 3.26Å; L666-V670 PolarHBondContact O-N 3.44Å; Q668-V670 PolarHBondContact O-N 3.33Å; V670-T673 VanDerWaalsContact O-CB 3.28Å; V670-T673 WeakPolarHBondContact O-CB 3.32Å; V670-T673 PolarHBondContact O-N 2.7Å; V670-T673 VanDerWaalsContact O-N 3.12Å; V670-F674 HydrophobicContact CG1-CD2 3.82Å; V670-F674 HydrophobicContact CG1-CE2 3.67Å; V670-F674 VanDerWaalsContact O-CD2 3.32Å; V670-F674 WeakPolarHBondContact O-CD2 3.46Å; V670-F674 PolarHBondContact O-N 3.28Å; V670-F674 VanDerWaalsContact O-N 3.14Å
671	E	96.1	Very high	90.8	Very high	51 Å²	51	56 Å²	56	24%	0.238	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-48.5	177.5	-71.1	-60.4	129	0	0	112.5	R507 W667 Q668 T673 F674 E675	R507-E671 IonicContact CZ-OE1 3.19Å; R507-E671 IonicContact NE-OE1 3.82Å; R507-E671 IonicContact NH1-OE1 2.74Å; R507-E671 PolarHBondContact NH1-OE1 3.24Å; R507-E671 IonicContact NH1-OE2 3.18Å; R507-E671 IonicContact NH2-OE1 2.77Å; W667-E671 WeakPolarHBondContact O-CG 3.43Å; W667-E671 PolarHBondContact O-N 3.37Å; Q668-E671 PolarHBondContact O-N 3.08Å; E671-T673 PolarHBondContact O-N 3.04Å; E671-T673 VanDerWaalsContact O-N 3.12Å; E671-F674 PolarHBondContact O-N 3.21Å; E671-E675 WeakPolarHBondContact O-CG 3.43Å; E671-E675 PolarHBondContact O-N 3.44Å
672	D	97	Very high	88.4	Confident	19 Å²	19	56.6 Å²	56.6	10%	0.102	31%	0.306	C	S	.	.	H	α-helix	trans	-55.9	-32.2	176	-72.4	-0	0	0	0	111.8	V562 Y566 Q668 L676	V562-D672 HydrophobicContact CB-CB 4.5Å; V562-D672 HydrophobicContact CG1-CB 3.57Å; V562-D672 HydrophobicContact CG2-CB 4.06Å; Y566-D672 WeakPolarHBondContact CE2-OD2 3.38Å; Y566-D672 PolarHBondContact OH-OD2 3.36Å; Q668-D672 PolarHBondContact NE2-OD1 3.21Å; Q668-D672 WeakPolarHBondContact O-CB 3.36Å; Q668-D672 VanDerWaalsContact O-CG 3.31Å; Q668-D672 PolarHBondContact O-N 3.1Å; D672-L676 WeakPolarHBondContact O-CB 3.22Å; D672-L676 PolarHBondContact O-N 3.08Å; D672-L676 VanDerWaalsContact O-N 3.12Å
673	T	97.3	Very high	86	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.012	32%	0.319	C	S	.	.	H	α-helix	trans	-68.9	-46.6	177.4	-59.1	0	0	0	0	111.1	I555 A558 L559 V669 V670 E671 L676 L677	I555-T673 HydrophobicContact CG2-CG2 4.14Å; A558-T673 HydrophobicContact CB-CG2 3.81Å; L559-T673 HydrophobicContact CB-CG2 4.03Å; L559-T673 WeakPolarHBondContact CD1-OG1 3.44Å; V669-T673 PolarHBondContact O-N 2.76Å; V669-T673 PolarHBondContact O-OG1 2.92Å; V670-T673 VanDerWaalsContact O-CB 3.28Å; V670-T673 WeakPolarHBondContact O-CB 3.32Å; V670-T673 PolarHBondContact O-N 2.7Å; V670-T673 VanDerWaalsContact O-N 3.12Å; E671-T673 PolarHBondContact O-N 3.04Å; E671-T673 VanDerWaalsContact O-N 3.12Å; T673-L676 WeakPolarHBondContact O-CB 3.23Å; T673-L676 PolarHBondContact O-N 3.21Å; T673-L677 HydrophobicContact CG2-CD1 4.38Å; T673-L677 WeakPolarHBondContact O-CG 3.49Å; T673-L677 PolarHBondContact O-N 3.34Å
674	F	95	Very high	83.3	Confident	25 Å²	25	56 Å²	56	11%	0.11	31%	0.307	C	S	.	.	H	α-helix	trans	-72	-32.5	177.4	-76.4	-74.7	0	0	0	113	L511 I513 I555 V670 E671 L676 L677 N678	L511-F674 HydrophobicContact CB-CD2 4.39Å; L511-F674 HydrophobicContact CB-CE1 3.88Å; L511-F674 HydrophobicContact CB-CE2 3.7Å; L511-F674 HydrophobicContact CB-CZ 3.43Å; L511-F674 VanDerWaalsContact CB-CZ 3.43Å; L511-F674 HydrophobicContact CD1-CD2 3.85Å; L511-F674 HydrophobicContact CD1-CE2 3.93Å; L511-F674 HydrophobicContact CD1-CG 4.26Å; L511-F674 HydrophobicContact CD1-CZ 4.4Å; L511-F674 HydrophobicContact CG-CE2 4.45Å; L511-F674 HydrophobicContact CG-CZ 4.48Å; L511-F674 WeakPolarHBondContact O-CE1 3.46Å; L511-F674 WeakPolarHBondContact O-CZ 3.18Å; I513-F674 HydrophobicContact CD1-CE2 4.15Å; I513-F674 HydrophobicContact CD1-CZ 4.22Å; I513-F674 HydrophobicContact CG1-CE2 3.89Å; I513-F674 HydrophobicContact CG1-CZ 4.14Å; I555-F674 HydrophobicContact CD1-CE1 4.22Å; I555-F674 HydrophobicContact CD1-CZ 4.06Å; I555-F674 HydrophobicContact CG1-CE1 4.49Å; V670-F674 HydrophobicContact CG1-CD2 3.82Å; V670-F674 HydrophobicContact CG1-CE2 3.67Å; V670-F674 VanDerWaalsContact O-CD2 3.32Å; V670-F674 WeakPolarHBondContact O-CD2 3.46Å; V670-F674 PolarHBondContact O-N 3.28Å; V670-F674 VanDerWaalsContact O-N 3.14Å; E671-F674 PolarHBondContact O-N 3.21Å; F674-L676 VanDerWaalsContact C-N 3.3Å; F674-L676 PolarHBondContact O-N 3.26Å; F674-L677 HydrophobicContact CD1-CD1 4.04Å; F674-L677 HydrophobicContact CE1-CD1 4.2Å; F674-L677 PolarHBondContact O-N 3.01Å; F674-N678 WeakPolarHBondContact O-CB 3.39Å; F674-N678 VanDerWaalsContact O-CG 3.25Å; F674-N678 PolarHBondContact O-N 2.99Å; F674-N678 PolarHBondContact O-ND2 3.45Å; F674-N678 VanDerWaalsContact O-ND2 3.11Å
675	E	95	Very high	80.7	Confident	125 Å²	125	62 Å²	62	58%	0.584	34%	0.34	S	S	*	.	H	α-helix	trans	-59.1	-42.8	169.6	-73.8	-175.2	178.2	0	0	111.4	E671 G679	E671-E675 WeakPolarHBondContact O-CG 3.43Å; E671-E675 PolarHBondContact O-N 3.44Å; E675-G679 PolarHBondContact O-N 3.48Å
676	L	94	Very high	78	Confident	48 Å²	48	65.5 Å²	65.5	25%	0.251	37%	0.369	S	S	.	.	H	α-helix	trans	-65.7	-44.2	177.9	-172	64.9	0	0	0	112	A558 Q561 V562 D672 T673 F674 G679 H680	A558-L676 HydrophobicContact CB-CD2 4.14Å; Q561-L676 HydrophobicContact CB-CD2 3.83Å; V562-L676 HydrophobicContact CG2-CD2 4.25Å; D672-L676 WeakPolarHBondContact O-CB 3.22Å; D672-L676 PolarHBondContact O-N 3.08Å; D672-L676 VanDerWaalsContact O-N 3.12Å; T673-L676 WeakPolarHBondContact O-CB 3.23Å; T673-L676 PolarHBondContact O-N 3.21Å; F674-L676 VanDerWaalsContact C-N 3.3Å; F674-L676 PolarHBondContact O-N 3.26Å; L676-G679 PolarHBondContact O-N 3.37Å; L676-H680 PolarHBondContact O-N 3.43Å; L676-H680 PolarHBondContact O-ND1 3.04Å
677	L	92.4	Very high	75.1	Confident	50 Å²	50	73.9 Å²	73.9	26%	0.262	41%	0.408	S	S	.	.	H	α-helix	trans	-61.8	-48.6	177.6	-72.5	168	0	0	0	111.7	I555 A558 T673 F674 G679 H680 S681	I555-L677 HydrophobicContact CB-CD1 4.47Å; I555-L677 HydrophobicContact CG1-CD1 3.88Å; A558-L677 HydrophobicContact CB-CD1 4.27Å; A558-L677 HydrophobicContact CB-CD2 3.65Å; A558-L677 HydrophobicContact CB-CG 3.65Å; T673-L677 HydrophobicContact CG2-CD1 4.38Å; T673-L677 WeakPolarHBondContact O-CG 3.49Å; T673-L677 PolarHBondContact O-N 3.34Å; F674-L677 HydrophobicContact CD1-CD1 4.04Å; F674-L677 HydrophobicContact CE1-CD1 4.2Å; F674-L677 PolarHBondContact O-N 3.01Å; L677-G679 VanDerWaalsContact C-N 3.34Å; L677-G679 PolarHBondContact O-N 2.94Å; L677-H680 PolarHBondContact O-N 3Å; L677-S681 PolarHBondContact O-N 2.79Å
678	N	88.9	Confident	71.9	Confident	108 Å²	108	76.6 Å²	76.6	58%	0.578	44%	0.438	S	S	*	.	H	α-helix	trans	-67.8	-34.5	179.6	-69.1	-32	0	0	0	112	F674 H680 S681 V682	F674-N678 WeakPolarHBondContact O-CB 3.39Å; F674-N678 VanDerWaalsContact O-CG 3.25Å; F674-N678 PolarHBondContact O-N 2.99Å; F674-N678 PolarHBondContact O-ND2 3.45Å; F674-N678 VanDerWaalsContact O-ND2 3.11Å; N678-H680 VanDerWaalsContact C-N 3.28Å; N678-H680 PolarHBondContact O-N 3.25Å; N678-S681 WeakPolarHBondContact O-CB 3.44Å; N678-S681 PolarHBondContact O-N 3.35Å; N678-V682 PolarHBondContact O-N 3.5Å
679	G	73.6	Confident	69.3	Low	38 Å²	38	82 Å²	82	39%	0.392	48%	0.481	S	S	.	.	H	α-helix	trans	-67	-23.5	176.5	0	0	0	0	0	114.6	E675 L676 L677	E675-G679 PolarHBondContact O-N 3.48Å; L676-G679 PolarHBondContact O-N 3.37Å; L677-G679 VanDerWaalsContact C-N 3.34Å; L677-G679 PolarHBondContact O-N 2.94Å
680	H	57.9	Low	67.9	Low	120 Å²	120	86.1 Å²	86.1	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-79.5	-32.5	173.4	-77	65.5	0	0	0	112.2	L676 L677 N678 V682 K683 G684	L676-H680 PolarHBondContact O-N 3.43Å; L676-H680 PolarHBondContact O-ND1 3.04Å; L677-H680 PolarHBondContact O-N 3Å; N678-H680 VanDerWaalsContact C-N 3.28Å; N678-H680 PolarHBondContact O-N 3.25Å; H680-V682 VanDerWaalsContact C-N 3.35Å; H680-V682 PolarHBondContact O-N 3.27Å; H680-K683 PolarHBondContact O-N 3.33Å; H680-G684 PolarHBondContact O-N 2.97Å
681	S	51.6	Low	66.4	Low	86 Å²	86	90.5 Å²	90.5	60%	0.601	53%	0.53	S	S	*	.	H	α-helix	trans	-62.4	-39.4	176.8	-164.6	0	0	0	0	112.2	L677 N678 K683 G684	L677-S681 PolarHBondContact O-N 2.79Å; N678-S681 WeakPolarHBondContact O-CB 3.44Å; N678-S681 PolarHBondContact O-N 3.35Å; S681-K683 VanDerWaalsContact C-N 3.31Å; S681-K683 PolarHBondContact O-N 2.97Å; S681-G684 PolarHBondContact O-N 3.31Å
682	V	45.6	Very low	64.8	Low	115 Å²	115	92.7 Å²	92.7	70%	0.697	55%	0.547	S	S	*	.	H	α-helix	trans	-71.1	-22.4	179.5	-178.3	0	0	0	0	113.4	N678 H680	N678-V682 PolarHBondContact O-N 3.5Å; H680-V682 VanDerWaalsContact C-N 3.35Å; H680-V682 PolarHBondContact O-N 3.27Å
683	K	44.1	Very low	62.9	Low	171 Å²	171	97 Å²	97	74%	0.743	57%	0.573	S	S	*	*	H	α-helix	trans	-86.9	-15.1	176.9	-76.6	-176.5	178.4	176.3	0	113.7	H680 S681	H680-K683 PolarHBondContact O-N 3.33Å; S681-K683 VanDerWaalsContact C-N 3.31Å; S681-K683 PolarHBondContact O-N 2.97Å
684	G	39.6	Very low	60.7	Low	53 Å²	53	102.9 Å²	102.9	55%	0.546	61%	0.608	S	S	.	*	H	α-helix	trans	-74.1	-31	177.8	0	0	0	0	0	114.2	H680 S681	H680-G684 PolarHBondContact O-N 2.97Å; S681-G684 PolarHBondContact O-N 3.31Å
685	D	41	Very low	58.4	Low	154 Å²	154	108.1 Å²	108.1	82%	0.824	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-2	-178.3	-78.6	-19.3	0	0	0	114.3
686	A	40.8	Very low	55.8	Low	82 Å²	82	106.9 Å²	106.9	68%	0.678	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	6.6	179.7	0	0	0	0	0	114.2
687	Q	38.5	Very low	52.9	Low	177 Å²	177	111.5 Å²	111.5	83%	0.827	68%	0.675	S	S	*	*			trans	-134.9	76.8	174.7	-77.5	-175.8	-10.7	0	0	111.6
688	A	31	Very low	49.6	Very low	90 Å²	90	116.6 Å²	116.6	74%	0.744	71%	0.71	S	S	*	*			trans	-120.7	124.8	149.1	0	0	0	0	0	107.5
689	P	42.6	Very low	46	Very low	205 Å²	205	117.4 Å²	117.4	100%	1.331	72%	0.722	S	S	*	*			trans	-68	0	174.7	28.3	-33	0	0	0	113.1

Retrieved 689 of 689 residues in 215.4 ms (Link to these results)

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