A0A3Q0KJC7_SCHMA Loading...

Adenosylhomocysteinase

AlphaFold DB , UniProt , Accession A0A3Q0KJC7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 526 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29	Very low	29.4	Very low	246 Å²	246	115.7 Å²	115.7	100%	1.212	62%	0.618	S	S	*	*				0	96.2	0	-76.2	178	175	0	0	107.3	S3	M1-S3 PolarHBondContact O-N 3.49Å
2	S	27.1	Very low	29.4	Very low	108 Å²	108	110.8 Å²	110.8	76%	0.755	60%	0.595	S	S	*	*			trans	-60.1	122.7	-175.8	44.2	0	0	0	0	110.4	V4	S2-V4 PolarHBondContact O-N 3.26Å
3	S	25.9	Very low	29.4	Very low	111 Å²	111	107.5 Å²	107.5	78%	0.776	58%	0.577	S	S	*	*			trans	-70.7	89.7	178	50.3	0	0	0	0	110.1	M1 Q5	M1-S3 PolarHBondContact O-N 3.49Å; S3-Q5 PolarHBondContact O-N 3.49Å
4	V	31.4	Very low	29.1	Very low	88 Å²	88	113.7 Å²	113.7	53%	0.533	60%	0.601	S	S	.	*			trans	-70.1	91.9	155.5	-177.1	0	0	0	0	106	S2 L6	S2-V4 PolarHBondContact O-N 3.26Å; V4-L6 PolarHBondContact O-N 2.79Å
5	Q	26.8	Very low	29.5	Very low	138 Å²	138	113.6 Å²	113.6	65%	0.645	61%	0.606	S	S	*	*			trans	-56.3	128.7	164.1	-77.9	-173.8	-32.1	0	0	107.3	S3 K7 S8	S3-Q5 PolarHBondContact O-N 3.49Å; Q5-K7 PolarHBondContact O-N 2.98Å; Q5-K7 VanDerWaalsContact O-N 3.14Å; Q5-S8 WeakPolarHBondContact O-CB 3.28Å; Q5-S8 PolarHBondContact O-N 3.05Å; Q5-S8 PolarHBondContact O-OG 3.01Å
6	L	35.9	Very low	29.7	Very low	30 Å²	30	112.5 Å²	112.5	16%	0.157	61%	0.61	C	S	.	*	G	3₁₀ helix	trans	-57.8	-24.4	172.2	-92	142.8	0	0	0	111.3	V4 S8 V9 R132 D136	V4-L6 PolarHBondContact O-N 2.79Å; L6-S8 PolarHBondContact O-N 3.46Å; L6-V9 VanDerWaalsContact O-CG2 3.26Å; L6-V9 WeakPolarHBondContact O-CG2 3.44Å; L6-V9 PolarHBondContact O-N 2.91Å; L6-R132 HydrophobicContact CD1-CB 4.16Å; L6-D136 HydrophobicContact CB-CB 4.45Å; L6-D136 WeakPolarHBondContact CB-OD2 3.5Å
7	K	29.6	Very low	30.4	Very low	140 Å²	140	109.2 Å²	109.2	61%	0.609	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-67.6	-5.8	167.7	-62	-170.5	176.7	-179.4	0	116.1	Q5 D136	Q5-K7 PolarHBondContact O-N 2.98Å; Q5-K7 VanDerWaalsContact O-N 3.14Å; K7-D136 WeakPolarHBondContact CE-OD1 3.39Å; K7-D136 WeakPolarHBondContact CG-OD2 3.06Å; K7-D136 PolarHBondContact N-OD2 3.01Å
8	S	28	Very low	30.7	Very low	44 Å²	44	108.9 Å²	108.9	31%	0.308	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-92.2	5.7	172.7	76.3	0	0	0	0	113.9	Q5 L6 D10 K11	Q5-S8 WeakPolarHBondContact O-CB 3.28Å; Q5-S8 PolarHBondContact O-N 3.05Å; Q5-S8 PolarHBondContact O-OG 3.01Å; L6-S8 PolarHBondContact O-N 3.46Å; S8-D10 PolarHBondContact O-N 3.02Å; S8-K11 PolarHBondContact O-N 2.73Å
9	V	33.2	Very low	31.2	Very low	49 Å²	49	104.9 Å²	104.9	30%	0.297	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-56.7	-28.6	164	178.6	0	0	0	0	110.4	L6 K11 V12 L13 M484	L6-V9 VanDerWaalsContact O-CG2 3.26Å; L6-V9 WeakPolarHBondContact O-CG2 3.44Å; L6-V9 PolarHBondContact O-N 2.91Å; V9-K11 PolarHBondContact O-N 2.91Å; V9-K11 VanDerWaalsContact O-N 3.1Å; V9-V12 PolarHBondContact O-N 3.01Å; V9-L13 WeakPolarHBondContact O-CG 3.21Å; V9-M484 HydrophobicContact CG1-CE 4.25Å
10	D	28.5	Very low	32	Very low	121 Å²	121	103.4 Å²	103.4	65%	0.647	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-63	-14	174.4	-69.1	-26.3	0	0	0	115.1	S8	S8-D10 PolarHBondContact O-N 3.02Å
11	K	27.7	Very low	32.1	Very low	198 Å²	198	104.9 Å²	104.9	86%	0.861	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-110.6	9.3	177.1	-84.2	-172.6	175.4	-177.9	0	114.6	S8 V9	S8-K11 PolarHBondContact O-N 2.73Å; V9-K11 PolarHBondContact O-N 2.91Å; V9-K11 VanDerWaalsContact O-N 3.1Å
12	V	29.3	Very low	32	Very low	57 Å²	57	99.1 Å²	99.1	35%	0.345	56%	0.556	S	S	.	*			trans	-106.2	12	177.4	-172.7	0	0	0	0	112	V9 E14 K483	V9-V12 PolarHBondContact O-N 3.01Å; V12-E14 PolarHBondContact O-N 3.15Å; V12-K483 HydrophobicContact CG1-CD 3.58Å; V12-K483 HydrophobicContact CG2-CD 4.45Å
13	L	30	Very low	32.1	Very low	67 Å²	67	104.5 Å²	104.5	35%	0.351	56%	0.559	S	S	.	*			trans	-95.6	57.6	-168.6	-58.2	175.3	0	0	0	113.4	V9 P469	V9-L13 WeakPolarHBondContact O-CG 3.21Å; L13-P469 HydrophobicContact CD1-CG 4.33Å
14	E	25.8	Very low	32.1	Very low	195 Å²	195	103 Å²	103	91%	0.911	56%	0.562	S	S	*	*			trans	-139.7	61.3	161.7	-85.9	-168.7	160.5	0	0	109.2	V12	V12-E14 PolarHBondContact O-N 3.15Å
15	V	34.3	Very low	31.9	Very low	112 Å²	112	104.4 Å²	104.4	68%	0.679	57%	0.574	S	S	*	*	S	Bend	trans	-136.6	120.5	165.4	-168.9	0	0	0	0	108.2	S17	V15-S17 PolarHBondContact O-N 3.27Å; V15-S17 VanDerWaalsContact O-N 3.15Å
16	S	32.2	Very low	31.8	Very low	96 Å²	96	106 Å²	106	67%	0.671	59%	0.587	S	S	*	*			trans	-52.2	114.4	-176.4	59.1	0	0	0	0	112.3	T18	S16-T18 VanDerWaalsContact C-N 3.3Å; S16-T18 PolarHBondContact O-N 3.23Å
17	S	41.7	Very low	31.6	Very low	57 Å²	57	109 Å²	109	40%	0.399	61%	0.61	S	S	.	*			trans	-73.7	82.8	166.1	39.7	0	0	0	0	109.1	V15	V15-S17 PolarHBondContact O-N 3.27Å; V15-S17 VanDerWaalsContact O-N 3.15Å
18	T	36.5	Very low	31.4	Very low	103 Å²	103	105.9 Å²	105.9	63%	0.632	62%	0.618	S	S	*	*			trans	-83.9	125	172.3	27.7	0	0	0	0	109.2	S16	S16-T18 VanDerWaalsContact C-N 3.3Å; S16-T18 PolarHBondContact O-N 3.23Å
19	P	39.7	Very low	31.6	Very low	34 Å²	34	114.6 Å²	114.6	22%	0.221	65%	0.646	C	S	.	*			trans	-61.7	151.2	171	24.2	-30.3	0	0	0	110.2	H21 D476 Y478	P19-H21 VanDerWaalsContact C-N 3.32Å; P19-H21 PolarHBondContact O-N 3.18Å; P19-D476 HydrophobicContact CB-CB 4.33Å; P19-D476 WeakPolarHBondContact CB-OD2 3.32Å; P19-Y478 HydrophobicContact CB-CE1 4.45Å
20	I	46.8	Very low	31.4	Very low	73 Å²	73	121.6 Å²	121.6	37%	0.374	68%	0.675	S	S	.	*			trans	-73.4	89.8	175.6	-58.2	166	0	0	0	107.9	S22 Y259 L479	I20-S22 PolarHBondContact O-N 3.1Å; I20-Y259 WeakPolarHBondContact CD1-OH 3.32Å; I20-L479 HydrophobicContact CD1-CD1 3.95Å; I20-L479 HydrophobicContact CD1-CD2 3.81Å; I20-L479 HydrophobicContact CD1-CG 3.61Å; I20-L479 HydrophobicContact CG1-CG 4.4Å
21	H	34.1	Very low	31.2	Very low	136 Å²	136	124 Å²	124	63%	0.63	68%	0.683	S	S	*	*			trans	-73.1	115.8	168.6	-77.3	-50.8	0	0	0	110	P19 R23	P19-H21 VanDerWaalsContact C-N 3.32Å; P19-H21 PolarHBondContact O-N 3.18Å; H21-R23 HydrophobicContact CB-CG 4.47Å; H21-R23 PolarHBondContact O-N 3.23Å
22	S	28.1	Very low	31.3	Very low	124 Å²	124	124.2 Å²	124.2	87%	0.867	69%	0.687	S	S	*	*			trans	-66.1	76.8	162.4	48.8	0	0	0	0	110.2	I20 G24	I20-S22 PolarHBondContact O-N 3.1Å; S22-G24 PolarHBondContact O-N 3.04Å
23	R	28.5	Very low	31.1	Very low	221 Å²	221	127.3 Å²	127.3	83%	0.834	71%	0.706	S	S	*	*			trans	-81.2	101.4	166.5	-77.7	-171.5	176.7	-172.2	-0.2	108.9	H21 C25	H21-R23 HydrophobicContact CB-CG 4.47Å; H21-R23 PolarHBondContact O-N 3.23Å; R23-C25 PolarHBondContact O-N 3.14Å
24	G	25.3	Very low	31.2	Very low	80 Å²	80	134.2 Å²	134.2	83%	0.825	73%	0.733	S	S	*	*			trans	-60.1	119.8	159.4	0	0	0	0	0	109.2	S22	S22-G24 PolarHBondContact O-N 3.04Å
25	C	27.8	Very low	31.3	Very low	118 Å²	118	131.5 Å²	131.5	80%	0.797	73%	0.725	S	S	*	*			trans	-110.1	100.6	173	-127.2	0	0	0	0	108.5	R23	R23-C25 PolarHBondContact O-N 3.14Å
26	N	24.1	Very low	31.2	Very low	170 Å²	170	131.8 Å²	131.8	91%	0.909	73%	0.732	S	S	*	*			trans	-74.8	116.7	154.9	-94.2	-13.4	0	0	0	107.7
27	S	32.1	Very low	31	Very low	93 Å²	93	137.1 Å²	137.1	65%	0.65	74%	0.737	S	S	*	*			trans	-156.4	111.5	152.3	59.3	0	0	0	0	108.6
28	G	26	Very low	30.5	Very low	75 Å²	75	142.7 Å²	142.7	77%	0.773	76%	0.762	S	S	*	*			trans	-67.6	150.5	176.4	0	0	0	0	0	112.4
29	Y	31.2	Very low	30	Very low	228 Å²	228	143.7 Å²	143.7	89%	0.894	76%	0.762	S	S	*	*			trans	-135.4	130.4	156	-89.4	-81.6	0	0	0	108.7
30	E	30.1	Very low	29.6	Very low	195 Å²	195	149.5 Å²	149.5	91%	0.911	79%	0.79	S	S	*	*			trans	-66.7	152.3	-176.2	-69.9	168	138.3	0	0	113.2
31	E	24.8	Very low	28.9	Very low	172 Å²	172	150.3 Å²	150.3	80%	0.804	80%	0.803	S	S	*	*			trans	-53.4	137.6	171.4	-78.7	173.3	129.6	0	0	114
32	Q	28.6	Very low	28.6	Very low	202 Å²	202	149.3 Å²	149.3	94%	0.944	81%	0.811	S	S	*	*			trans	-140	106	135.7	-90	-170.3	8.6	0	0	109.9
33	T	25.9	Very low	28.8	Very low	122 Å²	122	148.4 Å²	148.4	75%	0.748	81%	0.811	S	S	*	*			trans	-75.2	134.8	166.8	35.6	0	0	0	0	110.3
34	K	31.1	Very low	28.8	Very low	212 Å²	212	147.8 Å²	147.8	92%	0.922	81%	0.814	S	S	*	*			trans	-142.1	119.6	152.1	-101.5	-176.5	-177	175.9	0	111.1
35	D	28.8	Very low	29.2	Very low	138 Å²	138	154 Å²	154	74%	0.738	82%	0.818	S	S	*	*			trans	-33.8	136.8	167.1	-85.8	-60	0	0	0	115.4
36	S	31.3	Very low	29.2	Very low	118 Å²	118	159.9 Å²	159.9	83%	0.825	82%	0.824	S	S	*	*			trans	-145.2	105.4	133.6	46.6	0	0	0	0	110.2
37	R	27.8	Very low	29.7	Very low	208 Å²	208	160.3 Å²	160.3	79%	0.785	83%	0.825	S	S	*	*			trans	-73.6	131.7	164.3	-67.6	176.9	-167.1	179.2	2.2	108.6
38	L	31.3	Very low	29.5	Very low	175 Å²	175	161.1 Å²	161.1	92%	0.916	83%	0.831	S	S	*	*			trans	-133	117.7	154.7	-103.7	153.6	0	0	0	108.8
39	I	27.7	Very low	30	Very low	124 Å²	124	163.5 Å²	163.5	64%	0.636	84%	0.836	S	S	*	*			trans	-98.9	157.9	179.6	-53.5	175.4	0	0	0	107.2
40	L	30.6	Very low	29.8	Very low	155 Å²	155	162.3 Å²	162.3	81%	0.812	84%	0.835	S	S	*	*			trans	92.8	139.7	160.1	-62.6	130.9	0	0	0	114.9
41	S	31.5	Very low	30	Very low	91 Å²	91	158 Å²	158	64%	0.636	83%	0.827	S	S	*	*			cis	-178.9	135.2	-11.3	49.7	0	0	0	0	106.7
42	S	28.6	Very low	30.4	Very low	115 Å²	115	157.3 Å²	157.3	80%	0.804	83%	0.828	S	S	*	*			trans	31.6	120.5	145.1	54.6	0	0	0	0	121.1
43	A	32.4	Very low	30.3	Very low	104 Å²	104	152.9 Å²	152.9	86%	0.86	82%	0.82	S	S	*	*			trans	-153.7	105.9	134.7	0	0	0	0	0	111.5
44	K	28.7	Very low	30.7	Very low	209 Å²	209	156.3 Å²	156.3	91%	0.909	83%	0.827	S	S	*	*			trans	-63.2	133.2	163.4	-77.7	167.9	170.7	169.5	0	109.4
45	K	33.7	Very low	30.6	Very low	209 Å²	209	153 Å²	153	91%	0.909	83%	0.825	S	S	*	*			trans	-144.9	115.3	145.7	-104.8	178.3	-174.1	179.7	0	110.7
46	R	28	Very low	30.6	Very low	242 Å²	242	149.1 Å²	149.1	91%	0.913	82%	0.818	S	S	*	*			trans	-63.9	140	167.1	-71	171.7	167.7	179.8	-5.2	109.3
47	L	33.8	Very low	30.5	Very low	179 Å²	179	149.2 Å²	149.2	94%	0.937	82%	0.818	S	S	*	*			trans	-134.6	111.2	150.8	-92.7	153.3	0	0	0	107.5
48	S	28	Very low	30.7	Very low	111 Å²	111	148.4 Å²	148.4	78%	0.776	82%	0.821	S	S	*	*			trans	-86.8	135.3	169	52.7	0	0	0	0	109.2
49	S	35.5	Very low	30.6	Very low	124 Å²	124	148 Å²	148	87%	0.867	82%	0.82	S	S	*	*			trans	-128.1	119.6	155.6	45.3	0	0	0	0	108.8
50	K	28.1	Very low	30.7	Very low	203 Å²	203	147.2 Å²	147.2	88%	0.883	83%	0.825	S	S	*	*			trans	-87.6	140.7	167.8	-79.3	176	169.1	-179.5	0	108.3
51	S	33.7	Very low	30.5	Very low	106 Å²	106	144 Å²	144	74%	0.741	82%	0.82	S	S	*	*			trans	144	146.8	146.5	62.2	0	0	0	0	109.1
52	N	32.9	Very low	30.4	Very low	156 Å²	156	144.3 Å²	144.3	83%	0.834	82%	0.823	S	S	*	*			cis	-147.8	147.5	-13	-103.8	-14.2	0	0	0	105.4
53	S	28	Very low	30.4	Very low	109 Å²	109	150 Å²	150	76%	0.762	83%	0.829	S	S	*	*			trans	-68.1	125.6	172.4	48.6	0	0	0	0	110.6
54	E	33.5	Very low	30.5	Very low	194 Å²	194	150.7 Å²	150.7	91%	0.907	82%	0.822	S	S	*	*			trans	-128.4	121	150.4	-79.4	-171.5	168.8	0	0	108.8	G56	E54-G56 PolarHBondContact O-N 3.02Å
55	T	28.9	Very low	30.6	Very low	144 Å²	144	144 Å²	144	88%	0.883	81%	0.813	S	S	*	*			trans	-71.8	113.8	177.1	44.7	0	0	0	0	109.3
56	G	29.2	Very low	30.5	Very low	56 Å²	56	140.2 Å²	140.2	58%	0.577	81%	0.812	S	S	*	*			trans	-119.9	96	166.5	0	0	0	0	0	109	E54 F58	E54-G56 PolarHBondContact O-N 3.02Å; G56-F58 PolarHBondContact O-N 3.25Å
57	S	28.5	Very low	30.8	Very low	120 Å²	120	132.2 Å²	132.2	84%	0.839	79%	0.794	S	S	*	*			trans	-61.6	115	166.4	-65.4	0	0	0	0	108.4
58	F	31.3	Very low	30.9	Very low	190 Å²	190	127.3 Å²	127.3	83%	0.833	77%	0.774	S	S	*	*			trans	-120.1	112.7	164.4	-79.5	-80.9	0	0	0	107.6	G56 S60	G56-F58 PolarHBondContact O-N 3.25Å; F58-S60 PolarHBondContact O-N 3.38Å
59	D	29.2	Very low	31.1	Very low	167 Å²	167	127.7 Å²	127.7	89%	0.893	77%	0.767	S	S	*	*			trans	-56.4	107.6	169.3	-71.7	-42	0	0	0	108.7	A61	D59-A61 PolarHBondContact O-N 3.07Å; D59-A61 VanDerWaalsContact O-N 3.1Å
60	S	29.6	Very low	31.3	Very low	108 Å²	108	127.1 Å²	127.1	76%	0.755	76%	0.755	S	S	*	*			trans	-75.5	100.3	175.3	64.8	0	0	0	0	108.8	F58 S62	F58-S60 PolarHBondContact O-N 3.38Å; S60-S62 PolarHBondContact O-N 2.9Å
61	A	27.7	Very low	31.6	Very low	86 Å²	86	124.4 Å²	124.4	71%	0.711	75%	0.75	S	S	*	*			trans	-55.7	108.4	160.7	0	0	0	0	0	108.6	D59 Y63	D59-A61 PolarHBondContact O-N 3.07Å; D59-A61 VanDerWaalsContact O-N 3.1Å; A61-Y63 PolarHBondContact O-N 2.69Å
62	S	29.7	Very low	31.7	Very low	98 Å²	98	126.3 Å²	126.3	69%	0.685	75%	0.752	S	S	*	*			trans	-73.4	108.7	172.9	16.6	0	0	0	0	107.6	S60 T64	S60-S62 PolarHBondContact O-N 2.9Å; S62-T64 PolarHBondContact O-N 3.23Å
63	Y	28.3	Very low	32	Very low	236 Å²	236	122.9 Å²	122.9	93%	0.925	73%	0.733	S	S	*	*			trans	-73.4	83.8	165.9	-87.5	-87.6	0	0	0	108.4	A61	A61-Y63 PolarHBondContact O-N 2.69Å
64	T	33.4	Very low	32.4	Very low	118 Å²	118	125.8 Å²	125.8	72%	0.724	74%	0.735	S	S	*	*			trans	-69	146.7	161.1	49.5	0	0	0	0	109.2	S62	S62-T64 PolarHBondContact O-N 3.23Å
65	G	32.6	Very low	32.8	Very low	69 Å²	69	120.6 Å²	120.6	71%	0.711	72%	0.72	S	S	*	*			trans	-40.3	136.4	-167.6	0	0	0	0	0	115.4	S67	G65-S67 PolarHBondContact O-N 3.43Å
66	S	31	Very low	33.5	Very low	129 Å²	129	117.3 Å²	117.3	90%	0.902	69%	0.694	S	S	*	*			trans	-69.9	76.7	156.5	-165.8	0	0	0	0	107.3	S68	S66-S68 PolarHBondContact O-N 3.14Å
67	S	33.1	Very low	34.3	Very low	74 Å²	74	120 Å²	120	52%	0.517	69%	0.692	S	S	.	*			trans	-71.3	103.6	152	-175.2	0	0	0	0	105	G65 D69	G65-S67 PolarHBondContact O-N 3.43Å; S67-D69 WeakPolarHBondContact CB-OD2 3.24Å; S67-D69 PolarHBondContact O-N 3.38Å; S67-D69 VanDerWaalsContact O-N 3.08Å; S67-D69 PolarHBondContact OG-OD1 3.17Å; S67-D69 VanDerWaalsContact OG-OD1 3.07Å; S67-D69 PolarHBondContact OG-OD2 3.03Å
68	S	35.7	Very low	35.7	Very low	75 Å²	75	125.5 Å²	125.5	52%	0.524	69%	0.694	S	S	.	*			trans	-74.2	84.4	153.9	57.9	0	0	0	0	106	S66 D70	S66-S68 PolarHBondContact O-N 3.14Å; S68-D70 PolarHBondContact O-N 2.85Å
69	D	33.3	Very low	37.7	Very low	119 Å²	119	119.3 Å²	119.3	64%	0.636	67%	0.668	S	S	*	*			trans	-64.7	85.7	157.6	-69.3	-55.2	0	0	0	106.6	S67 D71	S67-D69 WeakPolarHBondContact CB-OD2 3.24Å; S67-D69 PolarHBondContact O-N 3.38Å; S67-D69 VanDerWaalsContact O-N 3.08Å; S67-D69 PolarHBondContact OG-OD1 3.17Å; S67-D69 VanDerWaalsContact OG-OD1 3.07Å; S67-D69 PolarHBondContact OG-OD2 3.03Å; D69-D71 PolarHBondContact O-N 2.75Å; D69-D71 VanDerWaalsContact O-N 3.15Å
70	D	39.3	Very low	40.6	Very low	113 Å²	113	113.2 Å²	113.2	60%	0.604	64%	0.635	S	S	*	*			trans	-76.1	88.8	156.3	-78.2	-29.5	0	0	0	106.1	S68 D72	S68-D70 PolarHBondContact O-N 2.85Å; D70-D72 PolarHBondContact O-N 3.07Å
71	D	34.8	Very low	43.6	Very low	145 Å²	145	108.2 Å²	108.2	78%	0.775	60%	0.601	S	S	*	*			trans	-56.4	81.9	158.9	-78.4	-45.2	0	0	0	109.1	D69	D69-D71 PolarHBondContact O-N 2.75Å; D69-D71 VanDerWaalsContact O-N 3.15Å
72	D	35.5	Very low	46.8	Very low	146 Å²	146	105 Å²	105	78%	0.781	57%	0.571	S	S	*	*	S	Bend	trans	-159	116.5	162.5	-86.6	-40.4	0	0	0	110	D70	D70-D72 PolarHBondContact O-N 3.07Å
73	D	40.2	Very low	49.8	Very low	84 Å²	84	105.3 Å²	105.3	45%	0.449	56%	0.561	S	S	.	*			trans	68.7	79.7	178.1	-95.1	-31.9	0	0	0	117.9	S75 Q76	D73-S75 PolarHBondContact O-N 3.05Å; D73-S75 VanDerWaalsContact O-N 3.07Å; D73-S75 PolarHBondContact OD1-OG 3.28Å; D73-Q76 HydrophobicContact CB-CB 4.24Å; D73-Q76 HydrophobicContact CB-CG 4.08Å; D73-Q76 PolarHBondContact O-N 3.44Å; D73-Q76 VanDerWaalsContact O-N 3.1Å; D73-Q76 PolarHBondContact OD2-NE2 3.31Å
74	E	34.7	Very low	52.8	Low	171 Å²	171	96.2 Å²	96.2	80%	0.799	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-25.4	161.4	-82.3	-165.3	150.7	0	0	112.7	Q76 Q77	E74-Q76 PolarHBondContact O-N 3.48Å; E74-Q77 PolarHBondContact O-N 3.26Å
75	S	42.6	Very low	55.7	Low	84 Å²	84	91.3 Å²	91.3	59%	0.587	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-33	179	69.4	0	0	0	0	113.1	D73	D73-S75 PolarHBondContact O-N 3.05Å; D73-S75 VanDerWaalsContact O-N 3.07Å; D73-S75 PolarHBondContact OD1-OG 3.28Å
76	Q	42.9	Very low	58.5	Low	75 Å²	75	92.8 Å²	92.8	35%	0.35	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-12.4	-179	-65.5	-175	34.3	0	0	113.2	D73 E74 R78	D73-Q76 HydrophobicContact CB-CB 4.24Å; D73-Q76 HydrophobicContact CB-CG 4.08Å; D73-Q76 PolarHBondContact O-N 3.44Å; D73-Q76 VanDerWaalsContact O-N 3.1Å; D73-Q76 PolarHBondContact OD2-NE2 3.31Å; E74-Q76 PolarHBondContact O-N 3.48Å; Q76-R78 VanDerWaalsContact C-N 3.25Å; Q76-R78 PolarHBondContact O-N 2.9Å
77	Q	46.2	Very low	61.4	Low	112 Å²	112	91 Å²	91	52%	0.523	46%	0.461	S	S	.	.	S	Bend	trans	-73.4	-15	178.2	-72.1	-170.8	3.8	0	0	113.5	E74	E74-Q77 PolarHBondContact O-N 3.26Å
78	R	57.7	Low	63.6	Low	236 Å²	236	93.3 Å²	93.3	89%	0.891	47%	0.474	S	S	*	.	S	Bend	trans	-102.8	-14.1	-177.6	-70.5	-172.7	-176.4	-177.2	3.4	115.9	Q76 N80	Q76-R78 VanDerWaalsContact C-N 3.25Å; Q76-R78 PolarHBondContact O-N 2.9Å; R78-N80 PolarHBondContact O-N 3.04Å
79	E	74.7	Confident	65.8	Low	61 Å²	61	93.6 Å²	93.6	29%	0.285	49%	0.488	S	S	.	.	S	Bend	trans	-79.2	125.9	-176.3	-162.4	175.7	-160.1	0	0	110.8	K87	E79-K87 IonicContact OE1-NZ 2.74Å; E79-K87 PolarHBondContact OE1-NZ 2.95Å
80	N	89.8	Confident	68.4	Low	38 Å²	38	92.3 Å²	92.3	20%	0.203	48%	0.481	C	S	.	.			trans	-62.9	127.5	175.8	-178.7	-39.7	0	0	0	109.5	R78 K82 E83 R84 D203	R78-N80 PolarHBondContact O-N 3.04Å; N80-K82 PolarHBondContact O-N 3.13Å; N80-K82 VanDerWaalsContact OD1-CB 3.31Å; N80-K82 WeakPolarHBondContact OD1-CB 3.49Å; N80-K82 PolarHBondContact OD1-N 3.13Å; N80-E83 HydrophobicContact CB-CB 4.28Å; N80-E83 HydrophobicContact CB-CG 3.94Å; N80-E83 WeakPolarHBondContact O-CB 3.42Å; N80-E83 PolarHBondContact O-N 3Å; N80-R84 PolarHBondContact O-N 3.43Å; N80-R84 VanDerWaalsContact O-N 3.15Å; N80-D203 PolarHBondContact ND2-OD2 3.42Å
81	P	93.4	Very high	70.7	Confident	4 Å²	4	90.2 Å²	90.2	3%	0.026	46%	0.464	C	S	.	.	H	α-helix	trans	-53.7	-36.3	179.9	-30.2	38.2	0	0	0	114.8	R84 Y85 C102 W196	P81-R84 PolarHBondContact O-N 2.96Å; P81-Y85 WeakPolarHBondContact O-CB 3.39Å; P81-Y85 PolarHBondContact O-N 3.49Å; P81-C102 PolarHBondContact O-SG 3.1Å; P81-C102 VanDerWaalsContact O-SG 3.33Å; P81-W196 HydrophobicContact CB-CD2 3.86Å; P81-W196 HydrophobicContact CB-CE3 3.84Å; P81-W196 HydrophobicContact CB-CG 4.38Å; P81-W196 HydrophobicContact CB-CH2 4.38Å; P81-W196 HydrophobicContact CB-CZ2 4.35Å; P81-W196 HydrophobicContact CB-CZ3 4.12Å; P81-W196 HydrophobicContact CG-CB 4.33Å; P81-W196 HydrophobicContact CG-CD2 3.69Å; P81-W196 HydrophobicContact CG-CE3 4.19Å; P81-W196 HydrophobicContact CG-CG 3.75Å; P81-W196 HydrophobicContact CG-CZ2 4.48Å
82	K	94.8	Very high	73.4	Confident	19 Å²	19	84.3 Å²	84.3	8%	0.083	44%	0.436	C	S	.	.	H	α-helix	trans	-64.5	-46	176.3	176.8	-175.6	169.6	-174	0	111.4	N80 R84 Y85 L86 W196 E202 D203 W206	N80-K82 PolarHBondContact O-N 3.13Å; N80-K82 VanDerWaalsContact OD1-CB 3.31Å; N80-K82 WeakPolarHBondContact OD1-CB 3.49Å; N80-K82 PolarHBondContact OD1-N 3.13Å; K82-R84 VanDerWaalsContact C-N 3.29Å; K82-R84 PolarHBondContact O-N 2.95Å; K82-Y85 PolarHBondContact O-N 2.79Å; K82-Y85 VanDerWaalsContact O-N 3.13Å; K82-L86 HydrophobicContact CG-CD1 3.9Å; K82-L86 HydrophobicContact CG-CG 4.32Å; K82-L86 VanDerWaalsContact O-CG 3.3Å; K82-L86 WeakPolarHBondContact O-CG 3.32Å; K82-L86 PolarHBondContact O-N 3.31Å; K82-W196 HydrophobicContact CB-CH2 3.94Å; K82-W196 HydrophobicContact CB-CZ2 4.38Å; K82-E202 IonicContact NZ-OE1 3.25Å; K82-E202 PolarHBondContact NZ-OE1 3.06Å; K82-D203 WeakPolarHBondContact CD-OD1 3.38Å; K82-D203 IonicContact NZ-OD1 2.72Å; K82-D203 PolarHBondContact NZ-OD1 3.22Å; K82-W206 HydrophobicContact CB-CE3 4.4Å; K82-W206 HydrophobicContact CB-CZ3 4.34Å; K82-W206 HydrophobicContact CD-CB 4.39Å; K82-W206 HydrophobicContact CD-CD2 3.89Å; K82-W206 HydrophobicContact CD-CE3 4.2Å; K82-W206 HydrophobicContact CD-CG 3.95Å; K82-W206 HydrophobicContact CG-CD2 3.9Å; K82-W206 HydrophobicContact CG-CE3 4.03Å; K82-W206 HydrophobicContact CG-CG 4.44Å; K82-W206 HydrophobicContact CG-CH2 4.28Å; K82-W206 HydrophobicContact CG-CZ2 4.15Å; K82-W206 HydrophobicContact CG-CZ3 4.22Å
83	E	92.5	Very high	76.2	Confident	104 Å²	104	80.9 Å²	80.9	49%	0.486	42%	0.42	S	S	.	.	H	α-helix	trans	-60.4	-42	178.5	-68.6	-179.7	-174.1	0	0	111.4	N80 L86 K87	N80-E83 HydrophobicContact CB-CB 4.28Å; N80-E83 HydrophobicContact CB-CG 3.94Å; N80-E83 WeakPolarHBondContact O-CB 3.42Å; N80-E83 PolarHBondContact O-N 3Å; E83-L86 PolarHBondContact O-N 2.85Å; E83-K87 WeakPolarHBondContact O-CG 3.49Å; E83-K87 PolarHBondContact O-N 2.9Å
84	R	91.8	Very high	78.8	Confident	44 Å²	44	77.3 Å²	77.3	17%	0.166	40%	0.401	C	S	.	.	H	α-helix	trans	-62.7	-42.6	174.2	-176.1	175.6	65.3	-162.7	-3.5	111.9	N80 P81 K82 K87 L90 V103 Q104	N80-R84 PolarHBondContact O-N 3.43Å; N80-R84 VanDerWaalsContact O-N 3.15Å; P81-R84 PolarHBondContact O-N 2.96Å; K82-R84 VanDerWaalsContact C-N 3.29Å; K82-R84 PolarHBondContact O-N 2.95Å; R84-K87 PolarHBondContact O-N 2.98Å; R84-L90 HydrophobicContact CG-CB 4.08Å; R84-L90 WeakPolarHBondContact CG-O 3.45Å; R84-L90 CarbonylContact O-C 3.58Å; R84-V103 PolarHBondContact NH2-O 3.14Å; R84-Q104 PolarHBondContact NH1-O 2.91Å; R84-Q104 PolarHBondContact NH2-O 3.01Å
85	Y	93.3	Very high	81.7	Confident	16 Å²	16	73.8 Å²	73.8	6%	0.063	40%	0.395	C	S	.	.	H	α-helix	trans	-64.9	-39.6	178.7	179.3	-83.3	0	0	0	112.8	P81 K82 K87 R91 F101 C102 Y194 W206 R210	P81-Y85 WeakPolarHBondContact O-CB 3.39Å; P81-Y85 PolarHBondContact O-N 3.49Å; K82-Y85 PolarHBondContact O-N 2.79Å; K82-Y85 VanDerWaalsContact O-N 3.13Å; Y85-K87 VanDerWaalsContact C-N 3.27Å; Y85-K87 PolarHBondContact O-N 2.95Å; Y85-R91 HydrophobicContact CD2-CG 4.31Å; Y85-R91 PolarHBondContact OH-NH2 3.18Å; Y85-F101 WeakPolarHBondContact CD2-O 2.78Å; Y85-F101 VanDerWaalsContact CE2-O 3.3Å; Y85-F101 WeakPolarHBondContact CE2-O 3.47Å; Y85-C102 HydrophobicContact CD2-CB 3.95Å; Y85-C102 HydrophobicContact CG-CB 4.35Å; Y85-Y194 AromaticContact CE2-CE1 3.8Å; Y85-Y194 HydrophobicContact CE2-CE1 3.8Å; Y85-Y194 AromaticContact CZ-CE1 3.78Å; Y85-Y194 PolarHBondContact OH-OH 3.14Å; Y85-W206 AromaticContact CD1-CH2 3.65Å; Y85-W206 HydrophobicContact CD1-CH2 3.65Å; Y85-W206 AromaticContact CD1-CZ2 3.73Å; Y85-W206 HydrophobicContact CD1-CZ2 3.73Å; Y85-W206 HydrophobicContact CE1-CH2 4.02Å; Y85-W206 AromaticContact CE1-CZ2 3.97Å; Y85-W206 HydrophobicContact CE1-CZ2 3.97Å; Y85-W206 HydrophobicContact CG-CH2 4.03Å; Y85-R210 PolarHBondContact OH-NE 3.06Å
86	L	92	Very high	84.2	Confident	100 Å²	100	79 Å²	79	52%	0.524	40%	0.402	S	S	.	.	H	α-helix	trans	-73	-16.7	-177.7	-68.8	176.1	0	0	0	113.5	K82 E83 P88 W206	K82-L86 HydrophobicContact CG-CD1 3.9Å; K82-L86 HydrophobicContact CG-CG 4.32Å; K82-L86 VanDerWaalsContact O-CG 3.3Å; K82-L86 WeakPolarHBondContact O-CG 3.32Å; K82-L86 PolarHBondContact O-N 3.31Å; E83-L86 PolarHBondContact O-N 2.85Å; L86-P88 WeakPolarHBondContact O-CD 3.14Å; L86-W206 HydrophobicContact CD2-CZ2 4.17Å
87	K	90.5	Very high	86.7	Confident	92 Å²	92	78 Å²	78	40%	0.4	41%	0.411	S	S	.	.	S	Bend	trans	-90.3	108.1	174.8	-67	169.5	-165.2	166.1	0	109.3	E79 E83 R84 Y85 G89 L90 R91	E79-K87 IonicContact OE1-NZ 2.74Å; E79-K87 PolarHBondContact OE1-NZ 2.95Å; E83-K87 WeakPolarHBondContact O-CG 3.49Å; E83-K87 PolarHBondContact O-N 2.9Å; R84-K87 PolarHBondContact O-N 2.98Å; Y85-K87 VanDerWaalsContact C-N 3.27Å; Y85-K87 PolarHBondContact O-N 2.95Å; K87-G89 PolarHBondContact O-N 3.37Å; K87-L90 HydrophobicContact CB-CB 4.16Å; K87-L90 HydrophobicContact CB-CD1 4.19Å; K87-L90 HydrophobicContact CB-CG 4.44Å; K87-L90 HydrophobicContact CD-CD1 3.66Å; K87-L90 PolarHBondContact O-N 3.31Å; K87-R91 PolarHBondContact O-N 3.17Å
88	P	79.5	Confident	89.1	Confident	122 Å²	122	75.3 Å²	75.3	79%	0.792	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.3	-170.5	-28	35.9	0	0	0	115.1	L86 L90	L86-P88 WeakPolarHBondContact O-CD 3.14Å; P88-L90 VanDerWaalsContact C-N 3.32Å; P88-L90 PolarHBondContact O-N 2.84Å
89	G	83.2	Confident	90.8	Very high	80 Å²	80	67.2 Å²	67.2	83%	0.825	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.8	178.4	0	0	0	0	0	115.4	K87	K87-G89 PolarHBondContact O-N 3.37Å
90	L	86.1	Confident	91.8	Very high	92 Å²	92	66 Å²	66	48%	0.482	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	2	-178.6	-64.8	174.6	0	0	0	112.8	R84 K87 P88 A92	R84-L90 HydrophobicContact CG-CB 4.08Å; R84-L90 WeakPolarHBondContact CG-O 3.45Å; R84-L90 CarbonylContact O-C 3.58Å; K87-L90 HydrophobicContact CB-CB 4.16Å; K87-L90 HydrophobicContact CB-CD1 4.19Å; K87-L90 HydrophobicContact CB-CG 4.44Å; K87-L90 HydrophobicContact CD-CD1 3.66Å; K87-L90 PolarHBondContact O-N 3.31Å; P88-L90 VanDerWaalsContact C-N 3.32Å; P88-L90 PolarHBondContact O-N 2.84Å; L90-A92 PolarHBondContact O-N 2.62Å
91	R	88.5	Confident	92.2	Very high	70 Å²	70	64.3 Å²	64.3	26%	0.264	36%	0.359	S	S	.	.			trans	-60.1	125.1	179.5	-171.9	171.8	178	175.5	-1.8	109.8	Y85 K87 N99	Y85-R91 HydrophobicContact CD2-CG 4.31Å; Y85-R91 PolarHBondContact OH-NH2 3.18Å; K87-R91 PolarHBondContact O-N 3.17Å; R91-N99 HydrophobicContact CG-CB 4.43Å; R91-N99 PolarHBondContact NE-O 3.29Å; R91-N99 PolarHBondContact NH2-O 3.29Å; R91-N99 PolarHBondContact NH2-OD1 2.99Å
92	A	90.8	Very high	92.4	Very high	21 Å²	21	64.3 Å²	64.3	17%	0.174	36%	0.359	C	S	.	.			trans	-62.5	142.9	178.2	0	0	0	0	0	110.8	L90 F101	L90-A92 PolarHBondContact O-N 2.62Å; A92-F101 HydrophobicContact CB-CE2 3.71Å; A92-F101 HydrophobicContact CB-CZ 3.91Å
93	V	94.3	Very high	92.5	Very high	73 Å²	73	63.5 Å²	63.5	44%	0.442	36%	0.355	S	S	.	.			trans	-130.4	138.8	176.8	-170.9	0	0	0	0	107.5	F98 N99	V93-F98 WeakPolarHBondContact CA-O 3.29Å; V93-F98 WeakPolarHBondContact CG1-O 3.35Å; V93-N99 HydrophobicContact CG2-CB 4.13Å
94	N	96.2	Very high	92.6	Very high	10 Å²	10	60.2 Å²	60.2	5%	0.053	34%	0.34	C	S	.	.			trans	-80.7	179.8	175.6	80.1	-0.9	0	0	0	111.8	R96 G97 F98 F101 I106 A187 E188	N94-R96 PolarHBondContact O-N 2.92Å; N94-R96 WeakPolarHBondContact OD1-CA 3.33Å; N94-R96 PolarHBondContact OD1-N 2.89Å; N94-G97 PolarHBondContact O-N 3.45Å; N94-G97 PolarHBondContact OD1-N 2.9Å; N94-F98 PolarHBondContact N-O 2.88Å; N94-F98 WeakPolarHBondContact OD1-CB 3.19Å; N94-F98 PolarHBondContact OD1-N 2.86Å; N94-F101 HydrophobicContact CB-CE1 4.12Å; N94-F101 HydrophobicContact CB-CZ 4.44Å; N94-I106 HydrophobicContact CB-CD1 4.4Å; N94-I106 HydrophobicContact CB-CG1 4.46Å; N94-A187 PolarHBondContact ND2-O 3.33Å; N94-E188 WeakPolarHBondContact CB-OE2 3.3Å; N94-E188 PolarHBondContact ND2-O 3.04Å; N94-E188 VanDerWaalsContact ND2-O 3.1Å
95	S	95.6	Very high	92.6	Very high	96 Å²	96	60.5 Å²	60.5	67%	0.671	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.3	-178.2	71.6	0	0	0	0	114.9	E188	S95-E188 WeakPolarHBondContact CB-OE1 3.36Å; S95-E188 PolarHBondContact N-OE1 3.48Å; S95-E188 VanDerWaalsContact N-OE1 3.14Å; S95-E188 PolarHBondContact N-OE2 2.98Å; S95-E188 PolarHBondContact OG-OE1 3.07Å
96	R	95.1	Very high	92.7	Very high	195 Å²	195	61.2 Å²	61.2	74%	0.736	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	7.3	-176.9	-57.6	-178.4	-173.3	169.7	2.5	113.8	N94 F98	N94-R96 PolarHBondContact O-N 2.92Å; N94-R96 WeakPolarHBondContact OD1-CA 3.33Å; N94-R96 PolarHBondContact OD1-N 2.89Å; R96-F98 VanDerWaalsContact C-N 3.34Å
97	G	95	Very high	92.9	Very high	53 Å²	53	66.1 Å²	66.1	55%	0.546	36%	0.358	S	S	.	.	S	Bend	trans	84.1	3.1	-179.1	0	0	0	0	0	114.9	N94	N94-G97 PolarHBondContact O-N 3.45Å; N94-G97 PolarHBondContact OD1-N 2.9Å
98	F	95.6	Very high	93.1	Very high	55 Å²	55	64 Å²	64	24%	0.241	35%	0.35	C	S	.	.			trans	-77	139.4	176.3	174.4	-102.1	0	0	0	110.1	V93 N94 R96 D100 F101 G190 P192	V93-F98 WeakPolarHBondContact CA-O 3.29Å; V93-F98 WeakPolarHBondContact CG1-O 3.35Å; N94-F98 PolarHBondContact N-O 2.88Å; N94-F98 WeakPolarHBondContact OD1-CB 3.19Å; N94-F98 PolarHBondContact OD1-N 2.86Å; R96-F98 VanDerWaalsContact C-N 3.34Å; F98-D100 HydrophobicContact CD2-CB 4.41Å; F98-D100 HydrophobicContact CE1-CB 4.38Å; F98-D100 HydrophobicContact CE2-CB 3.61Å; F98-D100 HydrophobicContact CZ-CB 3.59Å; F98-F101 AromaticContact CD1-CD1 3.64Å; F98-F101 HydrophobicContact CD1-CD1 3.64Å; F98-F101 HydrophobicContact CD1-CE1 4.09Å; F98-F101 HydrophobicContact CE1-CB 4.38Å; F98-F101 AromaticContact CE1-CD1 3.71Å; F98-F101 HydrophobicContact CE1-CD1 3.71Å; F98-F101 VanDerWaalsContact O-CE1 3.29Å; F98-F101 WeakPolarHBondContact O-CE1 3.37Å; F98-G190 WeakPolarHBondContact CZ-O 3.34Å; F98-P192 HydrophobicContact CZ-CB 4.29Å; F98-P192 HydrophobicContact CZ-CG 3.94Å
99	N	94.8	Very high	94	Very high	67 Å²	67	58.7 Å²	58.7	36%	0.358	32%	0.316	S	S	.	.			trans	-136.8	4.6	-174.1	68.3	12.6	0	0	0	113.7	R91 V93 F101	R91-N99 HydrophobicContact CG-CB 4.43Å; R91-N99 PolarHBondContact NE-O 3.29Å; R91-N99 PolarHBondContact NH2-O 3.29Å; R91-N99 PolarHBondContact NH2-OD1 2.99Å; V93-N99 HydrophobicContact CG2-CB 4.13Å; N99-F101 PolarHBondContact O-N 3.3Å
100	D	95.6	Very high	94.7	Very high	35 Å²	35	58.9 Å²	58.9	19%	0.187	31%	0.305	C	S	.	.			trans	-83.6	56.7	-177.9	-174.6	23.1	0	0	0	111.5	F98 R169 P192 Y194	F98-D100 HydrophobicContact CD2-CB 4.41Å; F98-D100 HydrophobicContact CE1-CB 4.38Å; F98-D100 HydrophobicContact CE2-CB 3.61Å; F98-D100 HydrophobicContact CZ-CB 3.59Å; D100-R169 IonicContact OD1-CZ 2.62Å; D100-R169 IonicContact OD1-NH2 2.88Å; D100-R169 PolarHBondContact OD1-NH2 2.96Å; D100-R169 IonicContact OD2-CZ 2.85Å; D100-R169 IonicContact OD2-NH1 3.43Å; D100-R169 PolarHBondContact OD2-NH1 3.22Å; D100-R169 IonicContact OD2-NH2 3.61Å; D100-R169 PolarHBondContact OD2-NH2 2.85Å; D100-P192 WeakPolarHBondContact O-CA 3.43Å; D100-P192 WeakPolarHBondContact O-CB 3.24Å; D100-Y194 PolarHBondContact OD1-OH 3.16Å
101	F	97	Very high	95.2	Very high	3 Å²	3	58.3 Å²	58.3	1%	0.013	30%	0.299	C	S	.	.			trans	-153.2	160.3	178.3	65.1	-95.6	0	0	0	111.3	Y85 A92 N94 F98 N99 V103 I106 A187 I193	Y85-F101 WeakPolarHBondContact CD2-O 2.78Å; Y85-F101 VanDerWaalsContact CE2-O 3.3Å; Y85-F101 WeakPolarHBondContact CE2-O 3.47Å; A92-F101 HydrophobicContact CB-CE2 3.71Å; A92-F101 HydrophobicContact CB-CZ 3.91Å; N94-F101 HydrophobicContact CB-CE1 4.12Å; N94-F101 HydrophobicContact CB-CZ 4.44Å; F98-F101 AromaticContact CD1-CD1 3.64Å; F98-F101 HydrophobicContact CD1-CD1 3.64Å; F98-F101 HydrophobicContact CD1-CE1 4.09Å; F98-F101 HydrophobicContact CE1-CB 4.38Å; F98-F101 AromaticContact CE1-CD1 3.71Å; F98-F101 HydrophobicContact CE1-CD1 3.71Å; F98-F101 VanDerWaalsContact O-CE1 3.29Å; F98-F101 WeakPolarHBondContact O-CE1 3.37Å; N99-F101 PolarHBondContact O-N 3.3Å; F101-V103 HydrophobicContact CD2-CG1 4.31Å; F101-V103 HydrophobicContact CD2-CG2 3.87Å; F101-V103 HydrophobicContact CE2-CG2 3.97Å; F101-I106 HydrophobicContact CE2-CB 4.42Å; F101-I106 HydrophobicContact CE2-CD1 3.97Å; F101-I106 HydrophobicContact CE2-CG1 4.33Å; F101-I106 HydrophobicContact CZ-CD1 3.89Å; F101-I106 HydrophobicContact CZ-CG1 4.09Å; F101-A187 HydrophobicContact CB-CB 3.91Å; F101-A187 HydrophobicContact CD1-CB 3.94Å; F101-A187 HydrophobicContact CD2-CB 3.61Å; F101-A187 HydrophobicContact CE1-CB 4.31Å; F101-A187 HydrophobicContact CE2-CB 4.04Å; F101-A187 HydrophobicContact CG-CB 3.55Å; F101-A187 HydrophobicContact CZ-CB 4.38Å; F101-I193 CarbonylContact C-O 3.5Å; F101-I193 WeakPolarHBondContact CA-O 3.1Å; F101-I193 HydrophobicContact CB-CG2 4.28Å; F101-I193 WeakPolarHBondContact CB-O 3.35Å
102	C	97.4	Very high	95.7	Very high	4 Å²	4	55 Å²	55	3%	0.027	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-138.8	110.1	170.7	-171.3	0	0	0	0	109.1	P81 Y85 I193 Y194 A195 W196 W206	P81-C102 PolarHBondContact O-SG 3.1Å; P81-C102 VanDerWaalsContact O-SG 3.33Å; Y85-C102 HydrophobicContact CD2-CB 3.95Å; Y85-C102 HydrophobicContact CG-CB 4.35Å; C102-I193 PolarHBondContact N-O 3.24Å; C102-Y194 HydrophobicContact CB-CD1 3.63Å; C102-Y194 HydrophobicContact CB-CE1 4.11Å; C102-Y194 HydrophobicContact CB-CG 4.42Å; C102-Y194 WeakPolarHBondContact O-CA 3.4Å; C102-A195 PolarHBondContact O-N 2.83Å; C102-W196 HydrophobicContact CB-CZ3 4.41Å; C102-W206 HydrophobicContact CB-CH2 4.24Å; C102-W206 HydrophobicContact CB-CZ3 4.12Å
103	V	97	Very high	96	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.012	29%	0.29	C	S	.	.			trans	-140.5	163.8	-176.6	-56.9	0	0	0	0	110.1	R84 F101 A183 A187 I193	R84-V103 PolarHBondContact NH2-O 3.14Å; F101-V103 HydrophobicContact CD2-CG1 4.31Å; F101-V103 HydrophobicContact CD2-CG2 3.87Å; F101-V103 HydrophobicContact CE2-CG2 3.97Å; V103-A183 HydrophobicContact CB-CB 4.28Å; V103-A183 HydrophobicContact CG1-CB 3.83Å; V103-A187 HydrophobicContact CG1-CB 4.17Å; V103-A187 HydrophobicContact CG2-CB 4.38Å; V103-I193 HydrophobicContact CG1-CG2 3.88Å
104	Q	95	Very high	96.2	Very high	35 Å²	35	60.3 Å²	60.3	16%	0.164	29%	0.294	C	S	.	.	S	Bend	trans	-61.4	-62.3	-177.1	-166.7	67.4	17.6	0	0	112.9	R84 N180 W196	R84-Q104 PolarHBondContact NH1-O 2.91Å; R84-Q104 PolarHBondContact NH2-O 3.01Å; Q104-N180 HydrophobicContact CB-CB 4.03Å; Q104-W196 HydrophobicContact CB-CB 4.11Å
105	K	93.2	Very high	96.3	Very high	49 Å²	49	62.9 Å²	62.9	21%	0.213	31%	0.306	C	S	.	.			trans	-141.3	102	-175.9	-69.8	-179.8	-176.7	-173.7	0	111.2	R107 Q108 A184	K105-R107 PolarHBondContact O-N 2.89Å; K105-R107 VanDerWaalsContact O-N 3.1Å; K105-Q108 HydrophobicContact CB-CG 4.11Å; K105-Q108 PolarHBondContact O-N 3.07Å; K105-Q108 VanDerWaalsContact O-N 3.1Å; K105-A184 VanDerWaalsContact O-CB 3.24Å; K105-A184 WeakPolarHBondContact O-CB 3.02Å
106	I	95.4	Very high	96.4	Very high	31 Å²	31	58.3 Å²	58.3	16%	0.159	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-58	-27.8	178.9	-167.6	60.8	0	0	0	113.1	N94 F101 Q108 A109 A184 A187 E188	N94-I106 HydrophobicContact CB-CD1 4.4Å; N94-I106 HydrophobicContact CB-CG1 4.46Å; F101-I106 HydrophobicContact CE2-CB 4.42Å; F101-I106 HydrophobicContact CE2-CD1 3.97Å; F101-I106 HydrophobicContact CE2-CG1 4.33Å; F101-I106 HydrophobicContact CZ-CD1 3.89Å; F101-I106 HydrophobicContact CZ-CG1 4.09Å; I106-Q108 PolarHBondContact O-N 2.84Å; I106-Q108 VanDerWaalsContact O-N 3.14Å; I106-A109 VanDerWaalsContact O-CB 3.29Å; I106-A109 WeakPolarHBondContact O-CB 3.41Å; I106-A109 PolarHBondContact O-N 3.49Å; I106-A109 VanDerWaalsContact O-N 3.14Å; I106-A184 WeakPolarHBondContact CD1-O 3.45Å; I106-A187 HydrophobicContact CD1-CB 3.64Å; I106-E188 HydrophobicContact CD1-CB 4.24Å
107	R	95.1	Very high	96.5	Very high	203 Å²	203	53.7 Å²	53.7	77%	0.766	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-62.6	-19.1	178.7	-61.9	-177.8	-177.7	-179.5	1.2	113.9	K105 A109	K105-R107 PolarHBondContact O-N 2.89Å; K105-R107 VanDerWaalsContact O-N 3.1Å; R107-A109 PolarHBondContact O-N 3.34Å
108	Q	95.5	Very high	96.6	Very high	48 Å²	48	55.8 Å²	55.8	22%	0.224	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-80.2	2.3	177.5	-66.9	-177.8	-27.3	0	0	113.6	K105 I106 S110 F111 G112 E181 A184	K105-Q108 HydrophobicContact CB-CG 4.11Å; K105-Q108 PolarHBondContact O-N 3.07Å; K105-Q108 VanDerWaalsContact O-N 3.1Å; I106-Q108 PolarHBondContact O-N 2.84Å; I106-Q108 VanDerWaalsContact O-N 3.14Å; Q108-S110 VanDerWaalsContact C-N 3.28Å; Q108-S110 PolarHBondContact O-N 3.33Å; Q108-F111 PolarHBondContact O-N 2.99Å; Q108-F111 VanDerWaalsContact O-N 3.08Å; Q108-G112 PolarHBondContact O-N 3.03Å; Q108-E181 HydrophobicContact CB-CB 4.1Å; Q108-A184 HydrophobicContact CB-CB 4.35Å
109	A	97.8	Very high	96.6	Very high	10 Å²	10	53.4 Å²	53.4	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-57.2	-34.9	-176.1	0	0	0	0	0	114.5	I106 R107 G112 R113 A184 A185 E188	I106-A109 VanDerWaalsContact O-CB 3.29Å; I106-A109 WeakPolarHBondContact O-CB 3.41Å; I106-A109 PolarHBondContact O-N 3.49Å; I106-A109 VanDerWaalsContact O-N 3.14Å; R107-A109 PolarHBondContact O-N 3.34Å; A109-G112 PolarHBondContact O-N 3.2Å; A109-R113 WeakPolarHBondContact O-CB 3.49Å; A109-R113 PolarHBondContact O-N 3.31Å; A109-A184 HydrophobicContact CB-CB 4.32Å; A109-A185 WeakPolarHBondContact O-CB 3.28Å; A109-E188 HydrophobicContact CB-CB 3.51Å; A109-E188 HydrophobicContact CB-CG 3.77Å
110	S	97.8	Very high	96.7	Very high	84 Å²	84	52.2 Å²	52.2	59%	0.587	24%	0.241	S	C	*	.	H	α-helix	trans	-69.7	-33.7	178.1	61.1	0	0	0	0	112.7	Q108 R114	Q108-S110 VanDerWaalsContact C-N 3.28Å; Q108-S110 PolarHBondContact O-N 3.33Å; S110-R114 PolarHBondContact O-N 3.29Å; S110-R114 PolarHBondContact O-NE 3.01Å
111	F	97.5	Very high	96.6	Very high	80 Å²	80	57.5 Å²	57.5	35%	0.351	26%	0.264	S	S	.	.	H	α-helix	trans	-70.7	-48.5	172.6	-175.2	-86.2	0	0	0	110.2	Q108 R113 R114 E115 E181	Q108-F111 PolarHBondContact O-N 2.99Å; Q108-F111 VanDerWaalsContact O-N 3.08Å; F111-R113 VanDerWaalsContact C-N 3.28Å; F111-R113 PolarHBondContact O-N 2.74Å; F111-R114 WeakPolarHBondContact O-CB 3.41Å; F111-R114 PolarHBondContact O-N 2.91Å; F111-E115 HydrophobicContact CD1-CG 4.22Å; F111-E115 HydrophobicContact CE1-CG 3.84Å; F111-E115 PolarHBondContact O-N 3.17Å; F111-E181 HydrophobicContact CD1-CB 3.72Å; F111-E181 HydrophobicContact CD1-CG 3.68Å; F111-E181 HydrophobicContact CE1-CB 4.45Å; F111-E181 HydrophobicContact CE1-CG 3.95Å
112	G	97.9	Very high	96.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-35.3	176.5	0	0	0	0	0	113.8	Q108 A109 R114 E115 I116 E181	Q108-G112 PolarHBondContact O-N 3.03Å; A109-G112 PolarHBondContact O-N 3.2Å; G112-R114 VanDerWaalsContact C-N 3.31Å; G112-R114 PolarHBondContact O-N 2.98Å; G112-E115 PolarHBondContact O-N 3.36Å; G112-I116 VanDerWaalsContact O-CG1 3.25Å; G112-I116 WeakPolarHBondContact O-CG1 3.36Å; G112-I116 PolarHBondContact O-N 2.86Å; G112-E181 WeakPolarHBondContact CA-O 3.08Å
113	R	98.5	Very high	96.5	Very high	66 Å²	66	61.3 Å²	61.3	25%	0.249	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-41.2	174.4	179.7	53.7	55.8	-176	-4.1	111.9	A109 F111 I116 E117 E159	A109-R113 WeakPolarHBondContact O-CB 3.49Å; A109-R113 PolarHBondContact O-N 3.31Å; F111-R113 VanDerWaalsContact C-N 3.28Å; F111-R113 PolarHBondContact O-N 2.74Å; R113-I116 PolarHBondContact O-N 3.19Å; R113-E117 WeakPolarHBondContact CD-OE1 3.13Å; R113-E117 WeakPolarHBondContact CG-OE1 3.11Å; R113-E117 VanDerWaalsContact O-CG 3.3Å; R113-E117 WeakPolarHBondContact O-CG 3.46Å; R113-E117 PolarHBondContact O-N 2.83Å; R113-E159 IonicContact CZ-OE1 2.72Å; R113-E159 IonicContact NH1-OE1 2.67Å; R113-E159 PolarHBondContact NH1-OE1 3.44Å; R113-E159 IonicContact NH1-OE2 2.79Å; R113-E159 PolarHBondContact NH1-OE2 3.4Å; R113-E159 IonicContact NH2-OE1 3.34Å; R113-E159 PolarHBondContact NH2-OE1 3.21Å
114	R	98.1	Very high	96.5	Very high	141 Å²	141	62.5 Å²	62.5	53%	0.532	29%	0.289	S	S	.	.	H	α-helix	trans	-64.8	-40.7	176	-70.2	179.7	-76.5	170.5	-2.8	111.8	S110 F111 G112 I116 E117 I118	S110-R114 PolarHBondContact O-N 3.29Å; S110-R114 PolarHBondContact O-NE 3.01Å; F111-R114 WeakPolarHBondContact O-CB 3.41Å; F111-R114 PolarHBondContact O-N 2.91Å; G112-R114 VanDerWaalsContact C-N 3.31Å; G112-R114 PolarHBondContact O-N 2.98Å; R114-I116 PolarHBondContact O-N 3.16Å; R114-E117 PolarHBondContact O-N 3.12Å; R114-I118 VanDerWaalsContact O-CG1 3.31Å; R114-I118 WeakPolarHBondContact O-CG1 3.45Å; R114-I118 PolarHBondContact O-N 3.34Å
115	E	96.7	Very high	96.6	Very high	64 Å²	64	60.8 Å²	60.8	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-43	174.6	-68.8	-63.2	111.5	0	0	111.9	F111 G112 I118 A119 A152 V182	F111-E115 HydrophobicContact CD1-CG 4.22Å; F111-E115 HydrophobicContact CE1-CG 3.84Å; F111-E115 PolarHBondContact O-N 3.17Å; G112-E115 PolarHBondContact O-N 3.36Å; E115-I118 PolarHBondContact O-N 3.07Å; E115-A119 PolarHBondContact O-N 3.33Å; E115-A152 HydrophobicContact CB-CB 4.19Å; E115-V182 HydrophobicContact CB-CG2 4.28Å
116	I	97.8	Very high	96.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-48.5	175.4	-64.2	167.4	0	0	0	110.3	G112 R113 R114 I118 A119 E120 A155 V156 V182 A185	G112-I116 VanDerWaalsContact O-CG1 3.25Å; G112-I116 WeakPolarHBondContact O-CG1 3.36Å; G112-I116 PolarHBondContact O-N 2.86Å; R113-I116 PolarHBondContact O-N 3.19Å; R114-I116 PolarHBondContact O-N 3.16Å; I116-I118 VanDerWaalsContact C-N 3.28Å; I116-I118 PolarHBondContact O-N 3.3Å; I116-A119 WeakPolarHBondContact O-CB 3.34Å; I116-A119 PolarHBondContact O-N 3.1Å; I116-A119 VanDerWaalsContact O-N 3.09Å; I116-E120 HydrophobicContact CG2-CG 4.42Å; I116-E120 WeakPolarHBondContact O-CG 3.35Å; I116-E120 PolarHBondContact O-N 3.06Å; I116-A155 HydrophobicContact CD1-CB 3.6Å; I116-A155 HydrophobicContact CG1-CB 3.65Å; I116-A155 HydrophobicContact CG2-CB 4.46Å; I116-V156 HydrophobicContact CG2-CG2 4.05Å; I116-V182 HydrophobicContact CD1-CG1 4.25Å; I116-V182 HydrophobicContact CG1-CG1 4.22Å; I116-A185 HydrophobicContact CD1-CB 3.74Å
117	E	97.7	Very high	96.9	Very high	97 Å²	97	59.7 Å²	59.7	45%	0.453	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-34.3	179.7	-74	168.3	-174	0	0	112.9	R113 R114 Q121	R113-E117 WeakPolarHBondContact CD-OE1 3.13Å; R113-E117 WeakPolarHBondContact CG-OE1 3.11Å; R113-E117 VanDerWaalsContact O-CG 3.3Å; R113-E117 WeakPolarHBondContact O-CG 3.46Å; R113-E117 PolarHBondContact O-N 2.83Å; R114-E117 PolarHBondContact O-N 3.12Å; E117-Q121 WeakPolarHBondContact O-CG 3.06Å
118	I	96.4	Very high	97	Very high	98 Å²	98	51.4 Å²	51.4	50%	0.503	25%	0.252	S	S	.	.	H	α-helix	trans	-67.2	-46.3	172.7	-68.6	165	0	0	0	110.2	R114 E115 I116 E120 Q121	R114-I118 VanDerWaalsContact O-CG1 3.31Å; R114-I118 WeakPolarHBondContact O-CG1 3.45Å; R114-I118 PolarHBondContact O-N 3.34Å; E115-I118 PolarHBondContact O-N 3.07Å; I116-I118 VanDerWaalsContact C-N 3.28Å; I116-I118 PolarHBondContact O-N 3.3Å; I118-E120 VanDerWaalsContact C-N 3.3Å; I118-E120 PolarHBondContact O-N 3.01Å; I118-Q121 PolarHBondContact O-N 3.19Å
119	A	95.9	Very high	97	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.033	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-39.6	178.2	0	0	0	0	0	112	E115 I116 Q121 E122 M123 A152 V156	E115-A119 PolarHBondContact O-N 3.33Å; I116-A119 WeakPolarHBondContact O-CB 3.34Å; I116-A119 PolarHBondContact O-N 3.1Å; I116-A119 VanDerWaalsContact O-N 3.09Å; A119-Q121 PolarHBondContact O-N 3.42Å; A119-E122 PolarHBondContact O-N 2.89Å; A119-M123 HydrophobicContact CB-SD 4.49Å; A119-M123 VanDerWaalsContact O-CG 3.27Å; A119-M123 WeakPolarHBondContact O-CG 3.26Å; A119-M123 PolarHBondContact O-N 3.07Å; A119-A152 HydrophobicContact CB-CB 3.99Å; A119-V156 HydrophobicContact CB-CG2 3.98Å
120	E	96.7	Very high	97	Very high	42 Å²	42	50.7 Å²	50.7	20%	0.196	25%	0.245	C	C	.	.	H	α-helix	trans	-56.4	-35.5	179.1	-73.8	-170.6	155.6	0	0	113.7	I116 I118 E122 M123 M127 R130 V156	I116-E120 HydrophobicContact CG2-CG 4.42Å; I116-E120 WeakPolarHBondContact O-CG 3.35Å; I116-E120 PolarHBondContact O-N 3.06Å; I118-E120 VanDerWaalsContact C-N 3.3Å; I118-E120 PolarHBondContact O-N 3.01Å; E120-E122 PolarHBondContact O-N 3.41Å; E120-M123 PolarHBondContact O-N 3Å; E120-M127 HydrophobicContact CB-CE 4.16Å; E120-M127 HydrophobicContact CB-SD 4.27Å; E120-M127 HydrophobicContact CG-CE 3.9Å; E120-M127 HydrophobicContact CG-SD 4.47Å; E120-R130 IonicContact OE1-CZ 2.69Å; E120-R130 VanDerWaalsContact OE1-CZ 3.23Å; E120-R130 IonicContact OE1-NH1 2.69Å; E120-R130 PolarHBondContact OE1-NH1 3.21Å; E120-R130 IonicContact OE1-NH2 2.7Å; E120-R130 PolarHBondContact OE1-NH2 2.99Å; E120-R130 VanDerWaalsContact OE1-NH2 3.1Å; E120-V156 HydrophobicContact CB-CG2 4.5Å; E120-V156 HydrophobicContact CG-CB 4.38Å; E120-V156 HydrophobicContact CG-CG1 3.9Å; E120-V156 HydrophobicContact CG-CG2 3.54Å
121	Q	95	Very high	96.8	Very high	146 Å²	146	54.5 Å²	54.5	68%	0.682	25%	0.251	S	S	*	.	H	α-helix	trans	-62.4	-32.4	-178.1	-66.2	174.7	28.6	0	0	112.3	E117 I118 A119	E117-Q121 WeakPolarHBondContact O-CG 3.06Å; I118-Q121 PolarHBondContact O-N 3.19Å; A119-Q121 PolarHBondContact O-N 3.42Å
122	E	94.4	Very high	96.5	Very high	88 Å²	88	54.6 Å²	54.6	41%	0.411	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	15.7	-178.2	-71	-68.4	128.8	0	0	112.5	A119 E120 P124 S448 I449	A119-E122 PolarHBondContact O-N 2.89Å; E120-E122 PolarHBondContact O-N 3.41Å; E122-P124 VanDerWaalsContact O-CD 3.22Å; E122-P124 WeakPolarHBondContact O-CD 3.39Å; E122-S448 VanDerWaalsContact CB-CB 3.4Å; E122-S448 CarbonylContact O-C 3.6Å; E122-I449 WeakPolarHBondContact O-CA 3.38Å; E122-I449 PolarHBondContact O-N 3.49Å
123	M	97.3	Very high	96	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.251	C	S	.	.			trans	-116.1	60.8	176	-64.4	-177.4	90.9	0	0	113.3	A119 E120 G125 L126 M127 H153 V156 V451 S452 A455	A119-M123 HydrophobicContact CB-SD 4.49Å; A119-M123 VanDerWaalsContact O-CG 3.27Å; A119-M123 WeakPolarHBondContact O-CG 3.26Å; A119-M123 PolarHBondContact O-N 3.07Å; E120-M123 PolarHBondContact O-N 3Å; M123-G125 PolarHBondContact O-N 3.47Å; M123-L126 HydrophobicContact CB-CB 4.45Å; M123-L126 HydrophobicContact CB-CD1 4.49Å; M123-L126 HydrophobicContact CE-CD1 3.4Å; M123-L126 HydrophobicContact CE-CG 4.26Å; M123-L126 PolarHBondContact O-N 3.48Å; M123-L126 HydrophobicContact SD-CD1 4.15Å; M123-M127 WeakPolarHBondContact O-CG 3.48Å; M123-M127 PolarHBondContact O-N 3.03Å; M123-M127 VanDerWaalsContact O-N 3.12Å; M123-H153 HydrophobicContact CE-CB 4.05Å; M123-H153 HydrophobicContact SD-CB 4.11Å; M123-V156 HydrophobicContact CB-CG1 4.39Å; M123-V156 HydrophobicContact CE-CB 4.47Å; M123-V156 HydrophobicContact SD-CB 3.66Å; M123-V156 HydrophobicContact SD-CG1 3.86Å; M123-V156 HydrophobicContact SD-CG2 3.84Å; M123-V451 HydrophobicContact CE-CB 4.25Å; M123-V451 HydrophobicContact CE-CG1 4.09Å; M123-S452 VanDerWaalsContact C-OG 3.25Å; M123-S452 VanDerWaalsContact CA-OG 3.31Å; M123-S452 WeakPolarHBondContact CA-OG 3.35Å; M123-A455 HydrophobicContact CE-CB 4.24Å
124	P	96.9	Very high	95.3	Very high	26 Å²	26	60.4 Å²	60.4	17%	0.169	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-29.9	-171.1	26.9	-36.4	0	0	0	113.3	E122 M127 A128 I449 L495	E122-P124 VanDerWaalsContact O-CD 3.22Å; E122-P124 WeakPolarHBondContact O-CD 3.39Å; P124-M127 PolarHBondContact O-N 2.94Å; P124-A128 VanDerWaalsContact O-CB 3.28Å; P124-A128 WeakPolarHBondContact O-CB 3.42Å; P124-A128 PolarHBondContact O-N 2.75Å; P124-I449 HydrophobicContact CG-CD1 4.44Å; P124-L495 HydrophobicContact CG-CB 4.32Å; P124-L495 HydrophobicContact CG-CD2 4.39Å
125	G	97.3	Very high	94.7	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-49.7	177.7	0	0	0	0	0	112.2	M123 A128 L129 S452 S456	M123-G125 PolarHBondContact O-N 3.47Å; G125-A128 PolarHBondContact O-N 3.38Å; G125-L129 WeakPolarHBondContact O-CG 3.35Å; G125-L129 PolarHBondContact O-N 2.73Å; G125-S452 PolarHBondContact N-OG 3.45Å; G125-S456 WeakPolarHBondContact CA-OG 3.28Å
126	L	97.8	Very high	94.3	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.3	-42.7	177.4	-61.8	-169.1	0	0	0	111.5	M123 A128 L129 R130 V156 L157 T160 A455 I459	M123-L126 HydrophobicContact CB-CB 4.45Å; M123-L126 HydrophobicContact CB-CD1 4.49Å; M123-L126 HydrophobicContact CE-CD1 3.4Å; M123-L126 HydrophobicContact CE-CG 4.26Å; M123-L126 PolarHBondContact O-N 3.48Å; M123-L126 HydrophobicContact SD-CD1 4.15Å; L126-A128 VanDerWaalsContact C-N 3.31Å; L126-A128 PolarHBondContact O-N 2.8Å; L126-L129 HydrophobicContact CD2-CD1 4.4Å; L126-L129 WeakPolarHBondContact O-CB 3.44Å; L126-L129 PolarHBondContact O-N 3.47Å; L126-L129 VanDerWaalsContact O-N 3.15Å; L126-R130 WeakPolarHBondContact O-CG 3.47Å; L126-R130 PolarHBondContact O-N 2.74Å; L126-V156 HydrophobicContact CB-CG1 4.17Å; L126-V156 HydrophobicContact CD1-CB 4.12Å; L126-V156 HydrophobicContact CD1-CG1 3.61Å; L126-L157 HydrophobicContact CD1-CB 4.3Å; L126-T160 HydrophobicContact CB-CG2 4.38Å; L126-T160 HydrophobicContact CD2-CG2 4.37Å; L126-A455 HydrophobicContact CD1-CB 3.96Å; L126-A455 HydrophobicContact CD2-CB 4.02Å; L126-A455 HydrophobicContact CG-CB 4.33Å; L126-I459 HydrophobicContact CD2-CD1 3.52Å; L126-I459 HydrophobicContact CD2-CG1 4.48Å
127	M	97.4	Very high	94.1	Very high	57 Å²	57	62.5 Å²	62.5	28%	0.281	30%	0.303	S	S	.	.	H	α-helix	trans	-61.9	-38.7	176.8	-65.5	-54.1	106.5	0	0	112.3	E120 M123 P124 R130 K131 V156	E120-M127 HydrophobicContact CB-CE 4.16Å; E120-M127 HydrophobicContact CB-SD 4.27Å; E120-M127 HydrophobicContact CG-CE 3.9Å; E120-M127 HydrophobicContact CG-SD 4.47Å; M123-M127 WeakPolarHBondContact O-CG 3.48Å; M123-M127 PolarHBondContact O-N 3.03Å; M123-M127 VanDerWaalsContact O-N 3.12Å; P124-M127 PolarHBondContact O-N 2.94Å; M127-R130 PolarHBondContact O-N 2.84Å; M127-K131 PolarHBondContact O-N 3.47Å; M127-V156 HydrophobicContact CE-CG1 3.53Å
128	A	96.1	Very high	94.1	Very high	29 Å²	29	58.5 Å²	58.5	24%	0.24	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-37.9	175.2	0	0	0	0	0	112.2	P124 G125 L126 K131 R132 L491	P124-A128 VanDerWaalsContact O-CB 3.28Å; P124-A128 WeakPolarHBondContact O-CB 3.42Å; P124-A128 PolarHBondContact O-N 2.75Å; G125-A128 PolarHBondContact O-N 3.38Å; L126-A128 VanDerWaalsContact C-N 3.31Å; L126-A128 PolarHBondContact O-N 2.8Å; A128-K131 PolarHBondContact O-N 2.9Å; A128-R132 WeakPolarHBondContact O-CG 3.5Å; A128-R132 PolarHBondContact O-N 3.48Å; A128-L491 HydrophobicContact CB-CD2 3.85Å
129	L	96.5	Very high	94.1	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-46.5	173.5	-68.3	171.2	0	0	0	111.5	G125 L126 K131 R132 A133 T160 I459 L460 Y487 L491	G125-L129 WeakPolarHBondContact O-CG 3.35Å; G125-L129 PolarHBondContact O-N 2.73Å; L126-L129 HydrophobicContact CD2-CD1 4.4Å; L126-L129 WeakPolarHBondContact O-CB 3.44Å; L126-L129 PolarHBondContact O-N 3.47Å; L126-L129 VanDerWaalsContact O-N 3.15Å; L129-K131 VanDerWaalsContact C-N 3.29Å; L129-K131 PolarHBondContact O-N 3.1Å; L129-R132 PolarHBondContact O-N 3.38Å; L129-R132 VanDerWaalsContact O-N 3.11Å; L129-A133 PolarHBondContact O-N 3.46Å; L129-T160 HydrophobicContact CB-CG2 4.21Å; L129-I459 HydrophobicContact CD1-CB 4.24Å; L129-I459 HydrophobicContact CD1-CD1 4.27Å; L129-I459 HydrophobicContact CD1-CG2 3.96Å; L129-L460 HydrophobicContact CD2-CD2 4.27Å; L129-Y487 HydrophobicContact CD2-CE1 4.33Å; L129-L491 HydrophobicContact CD1-CD1 4.39Å; L129-L491 HydrophobicContact CD2-CD1 3.99Å; L129-L491 HydrophobicContact CG-CD1 3.96Å
130	R	96.7	Very high	94.2	Very high	41 Å²	41	60.6 Å²	60.6	16%	0.155	29%	0.29	C	S	.	.	H	α-helix	trans	-56.5	-41.5	173.9	-67.5	-170.8	-172.8	-172.5	6.9	112	E120 L126 M127 R132 A133 V156 E159 T160 C163	E120-R130 IonicContact OE1-CZ 2.69Å; E120-R130 VanDerWaalsContact OE1-CZ 3.23Å; E120-R130 IonicContact OE1-NH1 2.69Å; E120-R130 PolarHBondContact OE1-NH1 3.21Å; E120-R130 IonicContact OE1-NH2 2.7Å; E120-R130 PolarHBondContact OE1-NH2 2.99Å; E120-R130 VanDerWaalsContact OE1-NH2 3.1Å; L126-R130 WeakPolarHBondContact O-CG 3.47Å; L126-R130 PolarHBondContact O-N 2.74Å; M127-R130 PolarHBondContact O-N 2.84Å; R130-R132 VanDerWaalsContact C-N 3.33Å; R130-R132 PolarHBondContact O-N 3.28Å; R130-A133 VanDerWaalsContact O-CB 3.26Å; R130-A133 WeakPolarHBondContact O-CB 3.48Å; R130-A133 PolarHBondContact O-N 2.88Å; R130-V156 PolarHBondContact NH2-O 3.49Å; R130-E159 IonicContact NH1-OE2 3.97Å; R130-E159 IonicContact NH2-OE2 3.45Å; R130-T160 HydrophobicContact CG-CG2 3.76Å; R130-T160 PolarHBondContact NE-OG1 3.44Å; R130-C163 HydrophobicContact CG-CB 4.12Å
131	K	95.2	Very high	94.2	Very high	164 Å²	164	60.5 Å²	60.5	71%	0.713	30%	0.3	S	S	*	.	H	α-helix	trans	-62.3	-39.3	177.7	-174.7	175.9	178.6	177.3	0	112.4	M127 A128 L129 A133	M127-K131 PolarHBondContact O-N 3.47Å; A128-K131 PolarHBondContact O-N 2.9Å; L129-K131 VanDerWaalsContact C-N 3.29Å; L129-K131 PolarHBondContact O-N 3.1Å; K131-A133 VanDerWaalsContact C-N 3.34Å
132	R	90.4	Very high	94.4	Very high	82 Å²	82	53.5 Å²	53.5	31%	0.309	27%	0.267	S	S	.	.	H	α-helix	trans	-72.9	-28.1	176.4	-67.1	179.7	-169.3	-144.2	7.1	112.5	L6 A128 L129 R130 K134 T135 D136 Y487	L6-R132 HydrophobicContact CD1-CB 4.16Å; A128-R132 WeakPolarHBondContact O-CG 3.5Å; A128-R132 PolarHBondContact O-N 3.48Å; L129-R132 PolarHBondContact O-N 3.38Å; L129-R132 VanDerWaalsContact O-N 3.11Å; R130-R132 VanDerWaalsContact C-N 3.33Å; R130-R132 PolarHBondContact O-N 3.28Å; R132-K134 PolarHBondContact O-N 3.39Å; R132-K134 VanDerWaalsContact O-N 3.07Å; R132-T135 PolarHBondContact O-N 2.92Å; R132-T135 VanDerWaalsContact O-N 3.09Å; R132-T135 PolarHBondContact O-OG1 2.91Å; R132-D136 PolarHBondContact O-N 3Å; R132-Y487 VanDerWaalsContact CD-OH 3.31Å; R132-Y487 WeakPolarHBondContact CD-OH 3.35Å; R132-Y487 PolarHBondContact NE-OH 3.44Å; R132-Y487 VanDerWaalsContact NE-OH 3.08Å; R132-Y487 PolarHBondContact NH1-OH 3.18Å; R132-Y487 PolarHBondContact NH2-OH 3.42Å
133	A	87.6	Confident	94.6	Very high	5 Å²	5	52 Å²	52	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-57.6	-24.3	178.8	0	0	0	0	0	113.7	L129 R130 K131 T135 D136 L164	L129-A133 PolarHBondContact O-N 3.46Å; R130-A133 VanDerWaalsContact O-CB 3.26Å; R130-A133 WeakPolarHBondContact O-CB 3.48Å; R130-A133 PolarHBondContact O-N 2.88Å; K131-A133 VanDerWaalsContact C-N 3.34Å; A133-T135 PolarHBondContact O-N 3.31Å; A133-T135 VanDerWaalsContact O-N 3.16Å; A133-D136 CarbonylContact C-O 3.08Å; A133-D136 WeakPolarHBondContact CA-O 3.43Å; A133-D136 CarbonylContact O-C 3.56Å; A133-D136 PolarHBondContact O-N 3.1Å; A133-D136 VanDerWaalsContact O-O 3.06Å; A133-L164 HydrophobicContact CB-CD2 3.68Å; A133-L164 HydrophobicContact CB-CG 4.33Å
134	K	83.1	Confident	94.6	Very high	183 Å²	183	52 Å²	52	80%	0.796	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.5	176.5	-65.1	-173.6	178.5	-173.8	0	113.6	R132	R132-K134 PolarHBondContact O-N 3.39Å; R132-K134 VanDerWaalsContact O-N 3.07Å
135	T	85.9	Confident	94.7	Very high	127 Å²	127	50.8 Å²	50.8	78%	0.779	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-22.1	-179.3	51.9	0	0	0	0	113.6	R132 A133	R132-T135 PolarHBondContact O-N 2.92Å; R132-T135 VanDerWaalsContact O-N 3.09Å; R132-T135 PolarHBondContact O-OG1 2.91Å; A133-T135 PolarHBondContact O-N 3.31Å; A133-T135 VanDerWaalsContact O-N 3.16Å
136	D	88.4	Confident	94.8	Very high	27 Å²	27	50.8 Å²	50.8	14%	0.144	25%	0.252	C	S	.	.			trans	-148.3	128.1	-173.5	-160.4	10.7	0	0	0	109.5	L6 K7 R132 A133 P138	L6-D136 HydrophobicContact CB-CB 4.45Å; L6-D136 WeakPolarHBondContact CB-OD2 3.5Å; K7-D136 WeakPolarHBondContact CE-OD1 3.39Å; K7-D136 WeakPolarHBondContact CG-OD2 3.06Å; K7-D136 PolarHBondContact N-OD2 3.01Å; R132-D136 PolarHBondContact O-N 3Å; A133-D136 CarbonylContact C-O 3.08Å; A133-D136 WeakPolarHBondContact CA-O 3.43Å; A133-D136 CarbonylContact O-C 3.56Å; A133-D136 PolarHBondContact O-N 3.1Å; A133-D136 VanDerWaalsContact O-O 3.06Å; D136-P138 VanDerWaalsContact C-CD 3.44Å; D136-P138 WeakPolarHBondContact O-CD 3.37Å
137	Q	94.5	Very high	94.8	Very high	95 Å²	95	50.8 Å²	50.8	44%	0.444	25%	0.252	S	S	.	.			trans	-109.6	77.9	178.9	-71.8	-173.4	-36.8	0	0	108.5	L139 K140 L164	Q137-L139 PolarHBondContact O-N 3.3Å; Q137-L139 VanDerWaalsContact O-N 3.1Å; Q137-K140 HydrophobicContact CB-CB 4.03Å; Q137-K140 VanDerWaalsContact O-CB 3.24Å; Q137-K140 WeakPolarHBondContact O-CB 3.21Å; Q137-K140 PolarHBondContact O-N 3.36Å; Q137-L164 CarbonylContact C-O 3.59Å; Q137-L164 VanDerWaalsContact CA-O 3.24Å; Q137-L164 WeakPolarHBondContact CA-O 3.24Å; Q137-L164 WeakPolarHBondContact CB-O 2.92Å
138	P	96.2	Very high	94.7	Very high	13 Å²	13	48.2 Å²	48.2	8%	0.084	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.3	-169.2	29.5	-38	0	0	0	113.7	D136 L164 I463 N467	D136-P138 VanDerWaalsContact C-CD 3.44Å; D136-P138 WeakPolarHBondContact O-CD 3.37Å; P138-L164 HydrophobicContact CG-CB 4.38Å; P138-L164 HydrophobicContact CG-CD2 3.78Å; P138-I463 HydrophobicContact CB-CD1 4.17Å; P138-I463 HydrophobicContact CB-CG1 4.12Å; P138-I463 HydrophobicContact CB-CG2 4.08Å; P138-I463 HydrophobicContact CG-CD1 3.68Å; P138-I463 HydrophobicContact CG-CG1 4.04Å; P138-N467 PolarHBondContact O-ND2 2.72Å; P138-N467 PolarHBondContact O-OD1 2.84Å
139	L	97.8	Very high	94.5	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	16.5	175.9	-63.9	174.5	0	0	0	111.9	Q137 G141 A142 I144 M161 L164 G165 A166 L462 I463 Y466	Q137-L139 PolarHBondContact O-N 3.3Å; Q137-L139 VanDerWaalsContact O-N 3.1Å; L139-G141 PolarHBondContact O-N 3.45Å; L139-G141 VanDerWaalsContact O-N 3.1Å; L139-A142 HydrophobicContact CB-CB 4.07Å; L139-A142 HydrophobicContact CD2-CB 4.33Å; L139-A142 WeakPolarHBondContact O-CB 3.46Å; L139-A142 PolarHBondContact O-N 3.07Å; L139-I144 HydrophobicContact CD1-CD1 4.2Å; L139-M161 HydrophobicContact CD1-CG 4.41Å; L139-L164 HydrophobicContact CB-CB 4.23Å; L139-L164 HydrophobicContact CD1-CB 4Å; L139-L164 HydrophobicContact CD1-CD1 4.17Å; L139-L164 HydrophobicContact CG-CB 4.27Å; L139-L164 PolarHBondContact N-O 3.47Å; L139-G165 CarbonylContact O-C 3.56Å; L139-G165 VanDerWaalsContact O-C 3.27Å; L139-A166 HydrophobicContact CB-CB 3.92Å; L139-A166 HydrophobicContact CD1-CB 4.42Å; L139-A166 WeakPolarHBondContact O-CA 3.35Å; L139-A166 PolarHBondContact O-N 3.49Å; L139-L462 HydrophobicContact CD2-CB 4.42Å; L139-I463 HydrophobicContact CD1-CG1 4.18Å; L139-I463 HydrophobicContact CD2-CB 4.43Å; L139-I463 HydrophobicContact CD2-CG1 3.73Å; L139-I463 HydrophobicContact CG-CG1 3.78Å; L139-Y466 HydrophobicContact CD2-CD1 4.33Å; L139-Y466 HydrophobicContact CD2-CG 4.49Å
140	K	97.2	Very high	94.5	Very high	146 Å²	146	49 Å²	49	64%	0.635	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	118.8	177.2	-173.9	174.2	-179.4	175.9	0	110.6	Q137 A142 G165 Y466	Q137-K140 HydrophobicContact CB-CB 4.03Å; Q137-K140 VanDerWaalsContact O-CB 3.24Å; Q137-K140 WeakPolarHBondContact O-CB 3.21Å; Q137-K140 PolarHBondContact O-N 3.36Å; K140-A142 VanDerWaalsContact C-N 3.34Å; K140-G165 WeakPolarHBondContact CA-O 3.43Å; K140-Y466 PolarHBondContact O-OH 3.19Å
141	G	96.9	Very high	94.4	Very high	39 Å²	39	48.4 Å²	48.4	40%	0.402	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-7.5	-177.8	0	0	0	0	0	114.7	L139 K143 N220 Y466	L139-G141 PolarHBondContact O-N 3.45Å; L139-G141 VanDerWaalsContact O-N 3.1Å; G141-K143 PolarHBondContact O-N 3.3Å; G141-N220 PolarHBondContact O-ND2 3.01Å; G141-N220 VanDerWaalsContact O-ND2 3.14Å; G141-Y466 WeakPolarHBondContact CA-OH 3.47Å; G141-Y466 PolarHBondContact O-OH 3.17Å
142	A	98.3	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.			trans	-65	135.5	171.3	0	0	0	0	0	109.4	L139 K140 I144 A166 Q167 V221 Y466	L139-A142 HydrophobicContact CB-CB 4.07Å; L139-A142 HydrophobicContact CD2-CB 4.33Å; L139-A142 WeakPolarHBondContact O-CB 3.46Å; L139-A142 PolarHBondContact O-N 3.07Å; K140-A142 VanDerWaalsContact C-N 3.34Å; A142-I144 HydrophobicContact CB-CG1 4.15Å; A142-A166 HydrophobicContact CB-CB 4.22Å; A142-A166 WeakPolarHBondContact O-CA 3.47Å; A142-Q167 PolarHBondContact O-N 3.39Å; A142-V221 HydrophobicContact CB-CG1 4.37Å; A142-Y466 HydrophobicContact CB-CD1 4.29Å; A142-Y466 HydrophobicContact CB-CD2 3.91Å; A142-Y466 HydrophobicContact CB-CE1 4.16Å; A142-Y466 HydrophobicContact CB-CE2 3.78Å; A142-Y466 HydrophobicContact CB-CG 4.17Å; A142-Y466 PolarHBondContact N-OH 3.17Å; A142-Y466 VanDerWaalsContact N-OH 3.17Å
143	K	98.5	Very high	94.7	Very high	57 Å²	57	38.2 Å²	38.2	25%	0.248	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	86.1	175.5	-73.1	-176.1	178.7	-176.3	0	106.4	G141 Q167 W217 I218 P219 N220 V221	G141-K143 PolarHBondContact O-N 3.3Å; K143-Q167 WeakPolarHBondContact CA-O 3.41Å; K143-Q167 HydrophobicContact CG-CB 4.4Å; K143-W217 HydrophobicContact CB-CH2 4.08Å; K143-W217 HydrophobicContact CB-CZ2 3.53Å; K143-W217 HydrophobicContact CG-CZ2 4.18Å; K143-I218 WeakPolarHBondContact CD-O 3.45Å; K143-P219 WeakPolarHBondContact O-CA 3.39Å; K143-N220 PolarHBondContact N-OD1 3.04Å; K143-N220 PolarHBondContact O-N 2.96Å; K143-N220 PolarHBondContact O-OD1 2.88Å; K143-V221 PolarHBondContact O-N 2.75Å
144	I	98.6	Very high	95	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120	-172	-48	179	0	0	0	108.7	L139 A142 M161 A166 Q167 V168 R169 W170 V221 L223 L462	L139-I144 HydrophobicContact CD1-CD1 4.2Å; A142-I144 HydrophobicContact CB-CG1 4.15Å; I144-M161 HydrophobicContact CD1-CB 4.02Å; I144-M161 HydrophobicContact CD1-CG 4.06Å; I144-M161 HydrophobicContact CD1-SD 3.52Å; I144-M161 VanDerWaalsContact CD1-SD 3.52Å; I144-M161 HydrophobicContact CG2-SD 4.31Å; I144-A166 HydrophobicContact CD1-CB 3.51Å; I144-A166 HydrophobicContact CG1-CB 3.97Å; I144-Q167 PolarHBondContact N-O 2.88Å; I144-V168 HydrophobicContact CB-CG1 4.28Å; I144-V168 HydrophobicContact CD1-CG1 4.42Å; I144-V168 WeakPolarHBondContact O-CA 3.3Å; I144-R169 PolarHBondContact O-N 3.16Å; I144-W170 HydrophobicContact CG2-CZ3 4.14Å; I144-V221 WeakPolarHBondContact CA-O 3.07Å; I144-V221 HydrophobicContact CB-CG1 4.09Å; I144-V221 HydrophobicContact CG1-CG1 3.57Å; I144-V221 HydrophobicContact CG2-CG1 4.31Å; I144-L223 HydrophobicContact CG2-CB 4.31Å; I144-L462 HydrophobicContact CD1-CD1 4.27Å; I144-L462 HydrophobicContact CG2-CD2 4.33Å
145	L	98.7	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.2	170.7	-176.7	60.7	0	0	0	108.9	R169 C211 I212 W217 P219 V221 V222 L223 L229	L145-R169 HydrophobicContact CD1-CB 4.26Å; L145-C211 HydrophobicContact CD1-CB 3.55Å; L145-I212 HydrophobicContact CD2-CB 4.41Å; L145-I212 HydrophobicContact CD2-CG1 3.77Å; L145-W217 HydrophobicContact CB-CH2 4.18Å; L145-W217 HydrophobicContact CB-CZ3 4.28Å; L145-W217 HydrophobicContact CD1-CZ3 4.27Å; L145-P219 HydrophobicContact CB-CB 3.82Å; L145-P219 HydrophobicContact CD2-CB 4.11Å; L145-P219 HydrophobicContact CD2-CG 4.09Å; L145-V221 PolarHBondContact N-O 3.14Å; L145-V222 WeakPolarHBondContact O-CA 3.26Å; L145-L223 PolarHBondContact O-N 2.98Å; L145-L229 HydrophobicContact CB-CD2 4.48Å; L145-L229 HydrophobicContact CD2-CD1 3.76Å; L145-L229 HydrophobicContact CD2-CD2 4.28Å; L145-L229 HydrophobicContact CD2-CG 4.49Å; L145-L229 HydrophobicContact CG-CD1 4.03Å; L145-L229 HydrophobicContact CG-CD2 3.82Å
146	G	98.4	Very high	96.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.1	-173.9	0	0	0	0	0	113.9	R169 W170 C171 L223	G146-R169 PolarHBondContact N-O 3Å; G146-W170 WeakPolarHBondContact O-CA 3.24Å; G146-C171 PolarHBondContact O-N 2.94Å; G146-C171 PolarHBondContact O-SG 3.18Å; G146-C171 VanDerWaalsContact O-SG 3.41Å; G146-L223 VanDerWaalsContact CA-O 3.28Å; G146-L223 WeakPolarHBondContact CA-O 3.27Å
147	C	97.8	Very high	96.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	98.3	168.4	-173.7	0	0	0	0	108.7	C171 A172 L223 D225 L229	C147-C171 WeakPolarHBondContact CA-O 3.24Å; C147-A172 PolarHBondContact SG-O 3.03Å; C147-L223 PolarHBondContact N-O 3.34Å; C147-D225 PolarHBondContact O-N 2.93Å; C147-L229 HydrophobicContact CB-CB 3.49Å; C147-L229 VanDerWaalsContact CB-CB 3.49Å; C147-L229 HydrophobicContact CB-CD2 3.73Å; C147-L229 HydrophobicContact CB-CG 4.18Å
148	T	95.4	Very high	97	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.018	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	173.8	-178.1	71.5	0	0	0	0	110.1	V150 T154 W170 C171 A172 C173 L223 D225	T148-V150 PolarHBondContact O-N 2.9Å; T148-T154 WeakPolarHBondContact OG1-CG2 3.33Å; T148-W170 HydrophobicContact CG2-CZ2 3.82Å; T148-W170 PolarHBondContact OG1-NE1 3.03Å; T148-C171 PolarHBondContact N-O 3.31Å; T148-A172 CarbonylContact O-C 3.59Å; T148-A172 VanDerWaalsContact O-CA 3.27Å; T148-A172 WeakPolarHBondContact O-CA 3.37Å; T148-C173 PolarHBondContact O-N 3.05Å; T148-C173 VanDerWaalsContact O-N 3.12Å; T148-L223 HydrophobicContact CG2-CG 4.31Å; T148-D225 HydrophobicContact CG2-CB 4Å
149	H	92.8	Very high	97.1	Very high	46 Å²	46	19.2 Å²	19.2	21%	0.213	10%	0.101	C	C	.	.			trans	-57.7	134	171.6	-64.7	-61.3	0	0	0	111.2	T151 T154 C173 S177 D225	H149-T151 HydrophobicContact CB-CG2 4.26Å; H149-T151 PolarHBondContact O-N 3.16Å; H149-T154 WeakPolarHBondContact O-CB 3.18Å; H149-T154 VanDerWaalsContact O-CG2 3.27Å; H149-T154 WeakPolarHBondContact O-CG2 3.42Å; H149-T154 PolarHBondContact O-OG1 3.38Å; H149-C173 VanDerWaalsContact CE1-SG 3.59Å; H149-C173 PolarHBondContact N-SG 2.97Å; H149-C173 PolarHBondContact ND1-SG 3.29Å; H149-S177 WeakPolarHBondContact ND1-CB 3.42Å; H149-S177 PolarHBondContact ND1-OG 3.32Å; H149-D225 IonicContact CD2-OD2 3.22Å; H149-D225 PolarHBondContact CD2-OD2 3.08Å; H149-D225 VanDerWaalsContact CD2-OD2 3.27Å; H149-D225 IonicContact NE2-OD2 3.55Å
150	V	95.2	Very high	97.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	10%	0.101	C	C	.	.			trans	-95.4	92.1	179.3	179.3	0	0	0	0	110	T148 A172 T178 Q179 A183 I193 A195	T148-V150 PolarHBondContact O-N 2.9Å; V150-A172 HydrophobicContact CG2-CB 4.2Å; V150-T178 HydrophobicContact CB-CG2 3.98Å; V150-T178 HydrophobicContact CG1-CG2 4.03Å; V150-T178 CarbonylContact O-C 3.45Å; V150-T178 WeakPolarHBondContact O-CA 3.09Å; V150-Q179 PolarHBondContact O-N 2.84Å; V150-A183 HydrophobicContact CG1-CB 4.03Å; V150-I193 HydrophobicContact CG1-CD1 3.72Å; V150-I193 HydrophobicContact CG2-CD1 4.13Å; V150-A195 HydrophobicContact CB-CB 4.37Å; V150-A195 HydrophobicContact CG2-CB 3.75Å
151	T	94.6	Very high	97.1	Very high	28 Å²	28	12.2 Å²	12.2	17%	0.172	7%	0.071	C	C	.	.	S	Bend	trans	-129	169.8	-178.1	67.1	0	0	0	0	111.2	H149 H153 T154 A155 V182	H149-T151 HydrophobicContact CB-CG2 4.26Å; H149-T151 PolarHBondContact O-N 3.16Å; T151-H153 PolarHBondContact O-N 2.99Å; T151-T154 PolarHBondContact O-N 2.82Å; T151-T154 VanDerWaalsContact O-N 3.09Å; T151-T154 PolarHBondContact OG1-N 3.03Å; T151-T154 PolarHBondContact OG1-OG1 3.08Å; T151-A155 PolarHBondContact O-N 2.97Å; T151-V182 WeakPolarHBondContact O-CG1 3.5Å
152	A	96.3	Very high	97.2	Very high	5 Å²	5	13.7 Å²	13.7	4%	0.041	7%	0.072	C	C	.	.	H	α-helix	trans	-52.9	-42.3	174.9	0	0	0	0	0	111.8	E115 A119 A155 V156 V182	E115-A152 HydrophobicContact CB-CB 4.19Å; A119-A152 HydrophobicContact CB-CB 3.99Å; A152-A155 WeakPolarHBondContact O-CB 3.49Å; A152-A155 PolarHBondContact O-N 2.73Å; A152-V156 WeakPolarHBondContact O-CG2 3.07Å; A152-V156 PolarHBondContact O-N 2.91Å; A152-V156 VanDerWaalsContact O-N 3.1Å; A152-V182 HydrophobicContact CB-CG2 4.07Å
153	H	95.6	Very high	97.1	Very high	27 Å²	27	16 Å²	16	13%	0.125	9%	0.087	C	C	.	.	H	α-helix	trans	-63.4	-43.2	176.3	-51.6	88.7	0	0	0	112.9	M123 T151 A155 V156 L157 S448 V451	M123-H153 HydrophobicContact CE-CB 4.05Å; M123-H153 HydrophobicContact SD-CB 4.11Å; T151-H153 PolarHBondContact O-N 2.99Å; H153-A155 VanDerWaalsContact C-N 3.31Å; H153-A155 PolarHBondContact O-N 3.45Å; H153-V156 WeakPolarHBondContact O-CB 3.46Å; H153-V156 PolarHBondContact O-N 3.37Å; H153-L157 PolarHBondContact O-N 3.19Å; H153-L157 VanDerWaalsContact O-N 3.08Å; H153-S448 WeakPolarHBondContact NE2-CA 3.43Å; H153-S448 WeakPolarHBondContact NE2-CB 3.25Å; H153-S448 PolarHBondContact NE2-OG 2.95Å; H153-V451 HydrophobicContact CB-CB 4.15Å; H153-V451 HydrophobicContact CB-CG1 3.57Å; H153-V451 HydrophobicContact CB-CG2 4.48Å
154	T	95.4	Very high	97.1	Very high	15 Å²	15	13.3 Å²	13.3	9%	0.092	8%	0.076	C	C	.	.	H	α-helix	trans	-62.6	-40.8	174.8	-61	0	0	0	0	110.6	T148 H149 T151 V156 L157 L158	T148-T154 WeakPolarHBondContact OG1-CG2 3.33Å; H149-T154 WeakPolarHBondContact O-CB 3.18Å; H149-T154 VanDerWaalsContact O-CG2 3.27Å; H149-T154 WeakPolarHBondContact O-CG2 3.42Å; H149-T154 PolarHBondContact O-OG1 3.38Å; T151-T154 PolarHBondContact O-N 2.82Å; T151-T154 VanDerWaalsContact O-N 3.09Å; T151-T154 PolarHBondContact OG1-N 3.03Å; T151-T154 PolarHBondContact OG1-OG1 3.08Å; T154-V156 VanDerWaalsContact C-N 3.28Å; T154-V156 PolarHBondContact O-N 2.99Å; T154-L157 CarbonylContact O-C 3.51Å; T154-L157 WeakPolarHBondContact O-CA 3.44Å; T154-L157 VanDerWaalsContact O-CB 3.28Å; T154-L157 WeakPolarHBondContact O-CB 3.41Å; T154-L157 PolarHBondContact O-N 3.31Å; T154-L158 HydrophobicContact CG2-CD1 3.59Å; T154-L158 VanDerWaalsContact O-CD1 3.24Å; T154-L158 WeakPolarHBondContact O-CD1 3.18Å; T154-L158 PolarHBondContact O-N 3.49Å
155	A	98.1	Very high	97	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59	-38.8	175.1	0	0	0	0	0	112.5	I116 T151 A152 H153 L157 L158 E159 V182 L186	I116-A155 HydrophobicContact CD1-CB 3.6Å; I116-A155 HydrophobicContact CG1-CB 3.65Å; I116-A155 HydrophobicContact CG2-CB 4.46Å; T151-A155 PolarHBondContact O-N 2.97Å; A152-A155 WeakPolarHBondContact O-CB 3.49Å; A152-A155 PolarHBondContact O-N 2.73Å; H153-A155 VanDerWaalsContact C-N 3.31Å; H153-A155 PolarHBondContact O-N 3.45Å; A155-L157 VanDerWaalsContact C-N 3.34Å; A155-L157 PolarHBondContact O-N 3.1Å; A155-L158 PolarHBondContact O-N 2.92Å; A155-E159 WeakPolarHBondContact O-CB 3.49Å; A155-E159 WeakPolarHBondContact O-CG 3.4Å; A155-E159 PolarHBondContact O-N 3.27Å; A155-V182 HydrophobicContact CB-CG1 3.6Å; A155-L186 HydrophobicContact CB-CD1 3.89Å; A155-L186 HydrophobicContact CB-CD2 3.82Å; A155-L186 HydrophobicContact CB-CG 3.93Å
156	V	98.3	Very high	97	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.3	-41.3	172.6	-175.6	0	0	0	0	111.5	I116 A119 E120 M123 L126 M127 R130 A152 H153 T154 T160	I116-V156 HydrophobicContact CG2-CG2 4.05Å; A119-V156 HydrophobicContact CB-CG2 3.98Å; E120-V156 HydrophobicContact CB-CG2 4.5Å; E120-V156 HydrophobicContact CG-CB 4.38Å; E120-V156 HydrophobicContact CG-CG1 3.9Å; E120-V156 HydrophobicContact CG-CG2 3.54Å; M123-V156 HydrophobicContact CB-CG1 4.39Å; M123-V156 HydrophobicContact CE-CB 4.47Å; M123-V156 HydrophobicContact SD-CB 3.66Å; M123-V156 HydrophobicContact SD-CG1 3.86Å; M123-V156 HydrophobicContact SD-CG2 3.84Å; L126-V156 HydrophobicContact CB-CG1 4.17Å; L126-V156 HydrophobicContact CD1-CB 4.12Å; L126-V156 HydrophobicContact CD1-CG1 3.61Å; M127-V156 HydrophobicContact CE-CG1 3.53Å; R130-V156 PolarHBondContact NH2-O 3.49Å; A152-V156 WeakPolarHBondContact O-CG2 3.07Å; A152-V156 PolarHBondContact O-N 2.91Å; A152-V156 VanDerWaalsContact O-N 3.1Å; H153-V156 WeakPolarHBondContact O-CB 3.46Å; H153-V156 PolarHBondContact O-N 3.37Å; T154-V156 VanDerWaalsContact C-N 3.28Å; T154-V156 PolarHBondContact O-N 2.99Å; V156-T160 WeakPolarHBondContact O-CB 3.46Å; V156-T160 PolarHBondContact O-N 3.01Å; V156-T160 PolarHBondContact O-OG1 2.74Å
157	L	98	Very high	97	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-59.3	-50.5	173.8	164	62.1	0	0	0	111.4	L126 H153 T154 A155 E159 T160 M161 L223 A455 Q458 I459	L126-L157 HydrophobicContact CD1-CB 4.3Å; H153-L157 PolarHBondContact O-N 3.19Å; H153-L157 VanDerWaalsContact O-N 3.08Å; T154-L157 CarbonylContact O-C 3.51Å; T154-L157 WeakPolarHBondContact O-CA 3.44Å; T154-L157 VanDerWaalsContact O-CB 3.28Å; T154-L157 WeakPolarHBondContact O-CB 3.41Å; T154-L157 PolarHBondContact O-N 3.31Å; A155-L157 VanDerWaalsContact C-N 3.34Å; A155-L157 PolarHBondContact O-N 3.1Å; L157-E159 PolarHBondContact O-N 3.05Å; L157-T160 WeakPolarHBondContact O-CB 3.18Å; L157-T160 PolarHBondContact O-N 3.32Å; L157-T160 VanDerWaalsContact O-N 3.14Å; L157-M161 HydrophobicContact CD1-CE 4.03Å; L157-M161 HydrophobicContact CD1-CG 4.3Å; L157-M161 HydrophobicContact CD1-SD 4.25Å; L157-M161 HydrophobicContact CG-CE 3.85Å; L157-M161 PolarHBondContact O-N 3.44Å; L157-L223 HydrophobicContact CD2-CD2 4.03Å; L157-A455 HydrophobicContact CB-CB 4.28Å; L157-A455 HydrophobicContact CD1-CB 4.28Å; L157-A455 HydrophobicContact CD2-CB 4.41Å; L157-Q458 VanDerWaalsContact CD2-OE1 3.24Å; L157-I459 HydrophobicContact CD1-CD1 3.7Å; L157-I459 HydrophobicContact CD1-CG1 3.43Å; L157-I459 VanDerWaalsContact CD1-CG1 3.43Å
158	L	98.2	Very high	97	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-57.6	-51.6	178.3	-90.9	58.1	0	0	0	112	T154 A155 T160 M161 V162 W170 L186 V191	T154-L158 HydrophobicContact CG2-CD1 3.59Å; T154-L158 VanDerWaalsContact O-CD1 3.24Å; T154-L158 WeakPolarHBondContact O-CD1 3.18Å; T154-L158 PolarHBondContact O-N 3.49Å; A155-L158 PolarHBondContact O-N 2.92Å; L158-T160 PolarHBondContact O-N 3.44Å; L158-M161 HydrophobicContact CB-CE 4.48Å; L158-M161 HydrophobicContact CD1-CE 3.8Å; L158-M161 HydrophobicContact CG-CE 4.16Å; L158-M161 PolarHBondContact O-N 2.9Å; L158-M161 VanDerWaalsContact O-N 3.14Å; L158-V162 WeakPolarHBondContact O-CG2 3.36Å; L158-V162 PolarHBondContact O-N 3.31Å; L158-W170 HydrophobicContact CD1-CD2 3.64Å; L158-W170 HydrophobicContact CD1-CE3 3.82Å; L158-W170 HydrophobicContact CD1-CG 4.32Å; L158-W170 HydrophobicContact CD1-CH2 3.84Å; L158-W170 HydrophobicContact CD1-CZ2 3.65Å; L158-W170 HydrophobicContact CD1-CZ3 3.91Å; L158-W170 HydrophobicContact CD2-CB 4.05Å; L158-W170 HydrophobicContact CD2-CD2 3.85Å; L158-W170 HydrophobicContact CD2-CE3 4.11Å; L158-W170 HydrophobicContact CD2-CG 3.8Å; L158-W170 HydrophobicContact CG-CD2 3.93Å; L158-W170 HydrophobicContact CG-CE3 3.84Å; L158-W170 HydrophobicContact CG-CG 4.42Å; L158-W170 HydrophobicContact CG-CZ3 4.19Å; L158-L186 HydrophobicContact CB-CD2 4.39Å; L158-L186 HydrophobicContact CD2-CD1 3.87Å; L158-L186 HydrophobicContact CD2-CD2 4.17Å; L158-V191 HydrophobicContact CD2-CG1 4.29Å
159	E	98.2	Very high	97.2	Very high	31 Å²	31	20.5 Å²	20.5	15%	0.145	12%	0.116	C	C	.	.	H	α-helix	trans	-64.9	-28.3	179.1	-73.6	-172.3	172.3	0	0	112.2	R113 R130 A155 L157 C163	R113-E159 IonicContact CZ-OE1 2.72Å; R113-E159 IonicContact NH1-OE1 2.67Å; R113-E159 PolarHBondContact NH1-OE1 3.44Å; R113-E159 IonicContact NH1-OE2 2.79Å; R113-E159 PolarHBondContact NH1-OE2 3.4Å; R113-E159 IonicContact NH2-OE1 3.34Å; R113-E159 PolarHBondContact NH2-OE1 3.21Å; R130-E159 IonicContact NH1-OE2 3.97Å; R130-E159 IonicContact NH2-OE2 3.45Å; A155-E159 WeakPolarHBondContact O-CB 3.49Å; A155-E159 WeakPolarHBondContact O-CG 3.4Å; A155-E159 PolarHBondContact O-N 3.27Å; L157-E159 PolarHBondContact O-N 3.05Å; E159-C163 VanDerWaalsContact O-CB 3.3Å; E159-C163 WeakPolarHBondContact O-CB 3.44Å; E159-C163 PolarHBondContact O-N 3Å
160	T	98.3	Very high	97.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-69.3	-43.3	172.3	-55.7	0	0	0	0	111.5	L126 L129 R130 V156 L157 L158 V162 C163 L164 I459	L126-T160 HydrophobicContact CB-CG2 4.38Å; L126-T160 HydrophobicContact CD2-CG2 4.37Å; L129-T160 HydrophobicContact CB-CG2 4.21Å; R130-T160 HydrophobicContact CG-CG2 3.76Å; R130-T160 PolarHBondContact NE-OG1 3.44Å; V156-T160 WeakPolarHBondContact O-CB 3.46Å; V156-T160 PolarHBondContact O-N 3.01Å; V156-T160 PolarHBondContact O-OG1 2.74Å; L157-T160 WeakPolarHBondContact O-CB 3.18Å; L157-T160 PolarHBondContact O-N 3.32Å; L157-T160 VanDerWaalsContact O-N 3.14Å; L158-T160 PolarHBondContact O-N 3.44Å; T160-V162 VanDerWaalsContact C-N 3.33Å; T160-V162 PolarHBondContact O-N 2.96Å; T160-C163 WeakPolarHBondContact O-CB 3.42Å; T160-C163 PolarHBondContact O-N 2.93Å; T160-L164 HydrophobicContact CG2-CD1 4.06Å; T160-L164 VanDerWaalsContact O-CG 3.27Å; T160-L164 WeakPolarHBondContact O-CG 3.5Å; T160-L164 PolarHBondContact O-N 3.12Å; T160-I459 HydrophobicContact CG2-CD1 3.4Å
161	M	98.2	Very high	97.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.4	-42.3	175.1	-70.3	-177.4	-71.2	0	0	111.8	L139 I144 L157 L158 L164 G165 A166 V168 W170 I459 L462	L139-M161 HydrophobicContact CD1-CG 4.41Å; I144-M161 HydrophobicContact CD1-CB 4.02Å; I144-M161 HydrophobicContact CD1-CG 4.06Å; I144-M161 HydrophobicContact CD1-SD 3.52Å; I144-M161 VanDerWaalsContact CD1-SD 3.52Å; I144-M161 HydrophobicContact CG2-SD 4.31Å; L157-M161 HydrophobicContact CD1-CE 4.03Å; L157-M161 HydrophobicContact CD1-CG 4.3Å; L157-M161 HydrophobicContact CD1-SD 4.25Å; L157-M161 HydrophobicContact CG-CE 3.85Å; L157-M161 PolarHBondContact O-N 3.44Å; L158-M161 HydrophobicContact CB-CE 4.48Å; L158-M161 HydrophobicContact CD1-CE 3.8Å; L158-M161 HydrophobicContact CG-CE 4.16Å; L158-M161 PolarHBondContact O-N 2.9Å; L158-M161 VanDerWaalsContact O-N 3.14Å; M161-L164 CarbonylContact O-C 3.43Å; M161-L164 PolarHBondContact O-N 3.45Å; M161-G165 PolarHBondContact O-N 3.12Å; M161-A166 HydrophobicContact CB-CB 4.24Å; M161-A166 VanDerWaalsContact O-CB 3.27Å; M161-A166 WeakPolarHBondContact O-CB 3.49Å; M161-A166 PolarHBondContact O-N 3.05Å; M161-V168 HydrophobicContact CB-CG1 4.09Å; M161-V168 HydrophobicContact CE-CG1 4.3Å; M161-W170 HydrophobicContact CE-CH2 3.49Å; M161-W170 VanDerWaalsContact CE-CH2 3.49Å; M161-W170 HydrophobicContact CE-CZ2 4.46Å; M161-W170 HydrophobicContact CE-CZ3 3.56Å; M161-W170 HydrophobicContact SD-CH2 4.46Å; M161-I459 HydrophobicContact CG-CD1 4.35Å; M161-I459 HydrophobicContact CG-CG1 4.12Å; M161-L462 HydrophobicContact CG-CD1 4.49Å; M161-L462 HydrophobicContact SD-CD1 3.51Å; M161-L462 VanDerWaalsContact SD-CD1 3.51Å
162	V	97.7	Very high	97.6	Very high	69 Å²	69	17 Å²	17	42%	0.418	10%	0.098	S	C	.	.	H	α-helix	trans	-61.6	-44.1	173.8	173.9	0	0	0	0	111	L158 T160 L164 G165 V168	L158-V162 WeakPolarHBondContact O-CG2 3.36Å; L158-V162 PolarHBondContact O-N 3.31Å; T160-V162 VanDerWaalsContact C-N 3.33Å; T160-V162 PolarHBondContact O-N 2.96Å; V162-L164 PolarHBondContact O-N 3.4Å; V162-G165 PolarHBondContact O-N 3.24Å; V162-V168 HydrophobicContact CG2-CG1 4.19Å; V162-V168 HydrophobicContact CG2-CG2 3.85Å
163	C	97.2	Very high	97.4	Very high	49 Å²	49	17.4 Å²	17.4	33%	0.331	10%	0.1	S	C	.	.	H	α-helix	trans	-58.7	-35.5	175.4	-172.3	0	0	0	0	112.5	R130 E159 T160 G165	R130-C163 HydrophobicContact CG-CB 4.12Å; E159-C163 VanDerWaalsContact O-CB 3.3Å; E159-C163 WeakPolarHBondContact O-CB 3.44Å; E159-C163 PolarHBondContact O-N 3Å; T160-C163 WeakPolarHBondContact O-CB 3.42Å; T160-C163 PolarHBondContact O-N 2.93Å; C163-G165 PolarHBondContact O-N 2.65Å
164	L	97.9	Very high	97	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	0.2	176.1	-67	164.9	0	0	0	114	A133 Q137 P138 L139 T160 M161 V162 I459 I463	A133-L164 HydrophobicContact CB-CD2 3.68Å; A133-L164 HydrophobicContact CB-CG 4.33Å; Q137-L164 CarbonylContact C-O 3.59Å; Q137-L164 VanDerWaalsContact CA-O 3.24Å; Q137-L164 WeakPolarHBondContact CA-O 3.24Å; Q137-L164 WeakPolarHBondContact CB-O 2.92Å; P138-L164 HydrophobicContact CG-CB 4.38Å; P138-L164 HydrophobicContact CG-CD2 3.78Å; L139-L164 HydrophobicContact CB-CB 4.23Å; L139-L164 HydrophobicContact CD1-CB 4Å; L139-L164 HydrophobicContact CD1-CD1 4.17Å; L139-L164 HydrophobicContact CG-CB 4.27Å; L139-L164 PolarHBondContact N-O 3.47Å; T160-L164 HydrophobicContact CG2-CD1 4.06Å; T160-L164 VanDerWaalsContact O-CG 3.27Å; T160-L164 WeakPolarHBondContact O-CG 3.5Å; T160-L164 PolarHBondContact O-N 3.12Å; M161-L164 CarbonylContact O-C 3.43Å; M161-L164 PolarHBondContact O-N 3.45Å; V162-L164 PolarHBondContact O-N 3.4Å; L164-I459 HydrophobicContact CD1-CD1 4.35Å; L164-I459 HydrophobicContact CD1-CG2 3.43Å; L164-I459 VanDerWaalsContact CD1-CG2 3.43Å; L164-I463 HydrophobicContact CD1-CD1 4.4Å
165	G	97.3	Very high	96.5	Very high	21 Å²	21	20.3 Å²	20.3	22%	0.216	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.6	3.5	173.1	0	0	0	0	0	115.6	L139 K140 M161 V162 C163	L139-G165 CarbonylContact O-C 3.56Å; L139-G165 VanDerWaalsContact O-C 3.27Å; K140-G165 WeakPolarHBondContact CA-O 3.43Å; M161-G165 PolarHBondContact O-N 3.12Å; V162-G165 PolarHBondContact O-N 3.24Å; C163-G165 PolarHBondContact O-N 2.65Å
166	A	98.3	Very high	95.8	Very high	7 Å²	7	26.8 Å²	26.8	6%	0.058	14%	0.141	C	C	.	.			trans	-77.5	154.3	179.6	0	0	0	0	0	112.6	L139 A142 I144 M161 V168	L139-A166 HydrophobicContact CB-CB 3.92Å; L139-A166 HydrophobicContact CD1-CB 4.42Å; L139-A166 WeakPolarHBondContact O-CA 3.35Å; L139-A166 PolarHBondContact O-N 3.49Å; A142-A166 HydrophobicContact CB-CB 4.22Å; A142-A166 WeakPolarHBondContact O-CA 3.47Å; I144-A166 HydrophobicContact CD1-CB 3.51Å; I144-A166 HydrophobicContact CG1-CB 3.97Å; M161-A166 HydrophobicContact CB-CB 4.24Å; M161-A166 VanDerWaalsContact O-CB 3.27Å; M161-A166 WeakPolarHBondContact O-CB 3.49Å; M161-A166 PolarHBondContact O-N 3.05Å; A166-V168 HydrophobicContact CB-CG1 4.43Å
167	Q	98.3	Very high	95.1	Very high	100 Å²	100	28 Å²	28	47%	0.467	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	142.5	154.3	-61.7	176.1	27.3	0	0	108.2	A142 K143 I144	A142-Q167 PolarHBondContact O-N 3.39Å; K143-Q167 WeakPolarHBondContact CA-O 3.41Å; K143-Q167 HydrophobicContact CG-CB 4.4Å; I144-Q167 PolarHBondContact N-O 2.88Å
168	V	98.4	Very high	94.9	Very high	9 Å²	9	27.9 Å²	27.9	6%	0.055	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147	-178.7	-57.5	0	0	0	0	110.4	I144 M161 V162 A166 W170 V191 P192	I144-V168 HydrophobicContact CB-CG1 4.28Å; I144-V168 HydrophobicContact CD1-CG1 4.42Å; I144-V168 WeakPolarHBondContact O-CA 3.3Å; M161-V168 HydrophobicContact CB-CG1 4.09Å; M161-V168 HydrophobicContact CE-CG1 4.3Å; V162-V168 HydrophobicContact CG2-CG1 4.19Å; V162-V168 HydrophobicContact CG2-CG2 3.85Å; A166-V168 HydrophobicContact CB-CG1 4.43Å; V168-W170 HydrophobicContact CB-CE3 4.23Å; V168-W170 HydrophobicContact CB-CZ3 4.39Å; V168-V191 HydrophobicContact CG2-CG1 3.92Å; V168-P192 WeakPolarHBondContact O-CD 3.28Å
169	R	98.4	Very high	94.7	Very high	16 Å²	16	30.8 Å²	30.8	6%	0.06	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.2	164.7	-62.9	-174.5	78.9	91.8	0.3	108.2	D100 I144 L145 G146 P192 A214 W217	D100-R169 IonicContact OD1-CZ 2.62Å; D100-R169 IonicContact OD1-NH2 2.88Å; D100-R169 PolarHBondContact OD1-NH2 2.96Å; D100-R169 IonicContact OD2-CZ 2.85Å; D100-R169 IonicContact OD2-NH1 3.43Å; D100-R169 PolarHBondContact OD2-NH1 3.22Å; D100-R169 IonicContact OD2-NH2 3.61Å; D100-R169 PolarHBondContact OD2-NH2 2.85Å; I144-R169 PolarHBondContact O-N 3.16Å; L145-R169 HydrophobicContact CD1-CB 4.26Å; G146-R169 PolarHBondContact N-O 3Å; R169-P192 WeakPolarHBondContact CA-O 3.2Å; R169-P192 HydrophobicContact CB-CB 4.48Å; R169-P192 HydrophobicContact CG-CB 4.03Å; R169-P192 HydrophobicContact CG-CG 4.11Å; R169-A214 VanDerWaalsContact NE-CB 3.28Å; R169-W217 HydrophobicContact CB-CH2 4.06Å; R169-W217 HydrophobicContact CB-CZ2 4.33Å; R169-W217 HydrophobicContact CB-CZ3 4.29Å; R169-W217 HydrophobicContact CG-CD2 3.99Å; R169-W217 HydrophobicContact CG-CE3 4.12Å; R169-W217 HydrophobicContact CG-CH2 3.84Å; R169-W217 HydrophobicContact CG-CZ2 3.7Å; R169-W217 HydrophobicContact CG-CZ3 4.04Å
170	W	98.5	Very high	94.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145	-165.9	-133.6	-93.7	0	0	0	114.7	I144 G146 T148 L158 M161 V168 P192 I193 Y194 C211 L223	I144-W170 HydrophobicContact CG2-CZ3 4.14Å; G146-W170 WeakPolarHBondContact O-CA 3.24Å; T148-W170 HydrophobicContact CG2-CZ2 3.82Å; T148-W170 PolarHBondContact OG1-NE1 3.03Å; L158-W170 HydrophobicContact CD1-CD2 3.64Å; L158-W170 HydrophobicContact CD1-CE3 3.82Å; L158-W170 HydrophobicContact CD1-CG 4.32Å; L158-W170 HydrophobicContact CD1-CH2 3.84Å; L158-W170 HydrophobicContact CD1-CZ2 3.65Å; L158-W170 HydrophobicContact CD1-CZ3 3.91Å; L158-W170 HydrophobicContact CD2-CB 4.05Å; L158-W170 HydrophobicContact CD2-CD2 3.85Å; L158-W170 HydrophobicContact CD2-CE3 4.11Å; L158-W170 HydrophobicContact CD2-CG 3.8Å; L158-W170 HydrophobicContact CG-CD2 3.93Å; L158-W170 HydrophobicContact CG-CE3 3.84Å; L158-W170 HydrophobicContact CG-CG 4.42Å; L158-W170 HydrophobicContact CG-CZ3 4.19Å; M161-W170 HydrophobicContact CE-CH2 3.49Å; M161-W170 VanDerWaalsContact CE-CH2 3.49Å; M161-W170 HydrophobicContact CE-CZ2 4.46Å; M161-W170 HydrophobicContact CE-CZ3 3.56Å; M161-W170 HydrophobicContact SD-CH2 4.46Å; V168-W170 HydrophobicContact CB-CE3 4.23Å; V168-W170 HydrophobicContact CB-CZ3 4.39Å; W170-P192 PolarHBondContact N-O 3.12Å; W170-I193 HydrophobicContact CB-CD1 4.38Å; W170-I193 HydrophobicContact CB-CG1 4.25Å; W170-I193 WeakPolarHBondContact O-CA 3.44Å; W170-Y194 PolarHBondContact O-N 2.84Å; W170-C211 PolarHBondContact O-SG 2.9Å; W170-C211 VanDerWaalsContact O-SG 3.33Å; W170-L223 HydrophobicContact CH2-CB 4Å; W170-L223 HydrophobicContact CH2-CD2 3.52Å; W170-L223 HydrophobicContact CH2-CG 4.21Å; W170-L223 HydrophobicContact CZ2-CD2 3.84Å; W170-L223 HydrophobicContact CZ2-CG 4.44Å
171	C	98	Very high	94.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	164.5	168.5	56.4	0	0	0	0	110.6	G146 C147 T148 Y194 C207	G146-C171 PolarHBondContact O-N 2.94Å; G146-C171 PolarHBondContact O-SG 3.18Å; G146-C171 VanDerWaalsContact O-SG 3.41Å; C147-C171 WeakPolarHBondContact CA-O 3.24Å; T148-C171 PolarHBondContact N-O 3.31Å; C171-Y194 WeakPolarHBondContact CA-O 3.46Å; C171-Y194 WeakPolarHBondContact CB-O 3.26Å; C171-C207 HydrophobicContact CB-CB 4.18Å
172	A	95.3	Very high	94.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	145	176.1	0	0	0	0	0	111.3	C147 T148 V150 A195 F204	C147-A172 PolarHBondContact SG-O 3.03Å; T148-A172 CarbonylContact O-C 3.59Å; T148-A172 VanDerWaalsContact O-CA 3.27Å; T148-A172 WeakPolarHBondContact O-CA 3.37Å; V150-A172 HydrophobicContact CG2-CB 4.2Å; A172-A195 HydrophobicContact CB-CB 4.02Å; A172-F204 WeakPolarHBondContact O-CE2 3.4Å
173	C	91.9	Very high	94.5	Very high	14 Å²	14	29.4 Å²	29.4	10%	0.095	15%	0.153	C	C	.	.	S	Bend	trans	-90.1	-4.9	167.6	67.9	0	0	0	0	113.2	T148 H149 D225	T148-C173 PolarHBondContact O-N 3.05Å; T148-C173 VanDerWaalsContact O-N 3.12Å; H149-C173 VanDerWaalsContact CE1-SG 3.59Å; H149-C173 PolarHBondContact N-SG 2.97Å; H149-C173 PolarHBondContact ND1-SG 3.29Å; C173-D225 HydrophobicContact CB-CB 4.43Å; C173-D225 WeakPolarHBondContact CB-O 3.28Å
174	N	86.6	Confident	94.6	Very high	66 Å²	66	27.1 Å²	27.1	35%	0.353	14%	0.137	S	C	.	.	S	Bend	trans	-150.8	128.7	179.9	-177.3	-65.1	0	0	0	111.8	Y176 S177	N174-Y176 PolarHBondContact O-N 3.16Å; N174-Y176 PolarHBondContact OD1-N 3.18Å; N174-S177 PolarHBondContact O-N 2.94Å; N174-S177 VanDerWaalsContact O-N 3.07Å; N174-S177 PolarHBondContact O-OG 2.9Å
175	I	86.6	Confident	94.6	Very high	38 Å²	38	27.1 Å²	27.1	20%	0.195	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.5	-175.1	62.4	173.9	0	0	0	115.5	G198 E199 F204	I175-G198 WeakPolarHBondContact O-CA 3.4Å; I175-G198 PolarHBondContact O-N 3.45Å; I175-E199 HydrophobicContact CB-CB 3.93Å; I175-E199 WeakPolarHBondContact CB-O 3.14Å; I175-E199 HydrophobicContact CG2-CB 3.81Å; I175-E199 PolarHBondContact O-N 2.8Å; I175-F204 HydrophobicContact CG2-CB 3.81Å; I175-F204 HydrophobicContact CG2-CD2 3.94Å; I175-F204 HydrophobicContact CG2-CG 4.06Å
176	Y	81.7	Confident	94.7	Very high	136 Å²	136	26.1 Å²	26.1	53%	0.533	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-5	-179.5	-60.7	-56.4	0	0	0	114.3	N174	N174-Y176 PolarHBondContact O-N 3.16Å; N174-Y176 PolarHBondContact OD1-N 3.18Å
177	S	85	Confident	94.7	Very high	25 Å²	25	25.8 Å²	25.8	18%	0.175	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-15.6	-169.5	67	0	0	0	0	114.9	H149 N174 Q179	H149-S177 WeakPolarHBondContact ND1-CB 3.42Å; H149-S177 PolarHBondContact ND1-OG 3.32Å; N174-S177 PolarHBondContact O-N 2.94Å; N174-S177 VanDerWaalsContact O-N 3.07Å; N174-S177 PolarHBondContact O-OG 2.9Å; S177-Q179 PolarHBondContact O-N 3.41Å
178	T	92.6	Very high	94.7	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.018	11%	0.112	C	C	.	.			trans	-67.5	127.3	-178.1	-56.2	0	0	0	0	111.6	V150 A183 A195 W196 K197	V150-T178 HydrophobicContact CB-CG2 3.98Å; V150-T178 HydrophobicContact CG1-CG2 4.03Å; V150-T178 CarbonylContact O-C 3.45Å; V150-T178 WeakPolarHBondContact O-CA 3.09Å; T178-A183 HydrophobicContact CG2-CB 3.92Å; T178-A195 HydrophobicContact CG2-CB 4.01Å; T178-W196 VanDerWaalsContact CB-C 3.46Å; T178-W196 PolarHBondContact OG1-O 3.19Å; T178-K197 WeakPolarHBondContact O-CB 3.47Å
179	Q	93.5	Very high	94.6	Very high	60 Å²	60	24.7 Å²	24.7	28%	0.28	12%	0.123	S	C	.	.			trans	-84.5	106.8	162	-73.6	174.6	-10.6	0	0	107.7	V150 S177 E181 V182 A183	V150-Q179 PolarHBondContact O-N 2.84Å; S177-Q179 PolarHBondContact O-N 3.41Å; Q179-E181 VanDerWaalsContact C-N 3.3Å; Q179-E181 WeakPolarHBondContact CB-OE1 3.18Å; Q179-E181 PolarHBondContact O-N 2.98Å; Q179-V182 HydrophobicContact CB-CB 3.89Å; Q179-V182 HydrophobicContact CB-CG2 3.8Å; Q179-V182 PolarHBondContact O-N 3.36Å; Q179-A183 PolarHBondContact O-N 2.97Å
180	N	96.3	Very high	94.6	Very high	27 Å²	27	25.4 Å²	25.4	14%	0.144	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-40.3	-169.5	-78.4	-27.3	0	0	0	112.3	Q104 V182 A183 A184 W196 K197	Q104-N180 HydrophobicContact CB-CB 4.03Å; N180-V182 VanDerWaalsContact C-N 3.33Å; N180-V182 PolarHBondContact O-N 3.35Å; N180-A183 PolarHBondContact O-N 3.06Å; N180-A184 WeakPolarHBondContact O-CB 3.18Å; N180-A184 PolarHBondContact O-N 3.01Å; N180-W196 WeakPolarHBondContact OD1-CA 3.39Å; N180-K197 PolarHBondContact OD1-N 3.08Å
181	E	97.4	Very high	94.5	Very high	45 Å²	45	26 Å²	26	21%	0.21	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-41.2	173.5	58.6	-77.5	176.7	0	0	112.1	Q108 F111 G112 Q179 A184 A185	Q108-E181 HydrophobicContact CB-CB 4.1Å; F111-E181 HydrophobicContact CD1-CB 3.72Å; F111-E181 HydrophobicContact CD1-CG 3.68Å; F111-E181 HydrophobicContact CE1-CB 4.45Å; F111-E181 HydrophobicContact CE1-CG 3.95Å; G112-E181 WeakPolarHBondContact CA-O 3.08Å; Q179-E181 VanDerWaalsContact C-N 3.3Å; Q179-E181 WeakPolarHBondContact CB-OE1 3.18Å; Q179-E181 PolarHBondContact O-N 2.98Å; E181-A184 WeakPolarHBondContact O-CB 3.16Å; E181-A184 PolarHBondContact O-N 3.1Å; E181-A185 PolarHBondContact O-N 3.14Å
182	V	97.8	Very high	94.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-72.2	-42.7	178.1	175.6	0	0	0	0	110.8	E115 I116 T151 A152 A155 Q179 N180 A184 A185 L186	E115-V182 HydrophobicContact CB-CG2 4.28Å; I116-V182 HydrophobicContact CD1-CG1 4.25Å; I116-V182 HydrophobicContact CG1-CG1 4.22Å; T151-V182 WeakPolarHBondContact O-CG1 3.5Å; A152-V182 HydrophobicContact CB-CG2 4.07Å; A155-V182 HydrophobicContact CB-CG1 3.6Å; Q179-V182 HydrophobicContact CB-CB 3.89Å; Q179-V182 HydrophobicContact CB-CG2 3.8Å; Q179-V182 PolarHBondContact O-N 3.36Å; N180-V182 VanDerWaalsContact C-N 3.33Å; N180-V182 PolarHBondContact O-N 3.35Å; V182-A184 PolarHBondContact O-N 2.94Å; V182-A185 PolarHBondContact O-N 3.38Å; V182-A185 VanDerWaalsContact O-N 3.09Å; V182-L186 HydrophobicContact CG1-CD1 4.37Å; V182-L186 PolarHBondContact O-N 3.34Å
183	A	98.2	Very high	94.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.6	-41.1	172.9	0	0	0	0	0	111	V103 V150 T178 Q179 N180 L186 A187 I193	V103-A183 HydrophobicContact CB-CB 4.28Å; V103-A183 HydrophobicContact CG1-CB 3.83Å; V150-A183 HydrophobicContact CG1-CB 4.03Å; T178-A183 HydrophobicContact CG2-CB 3.92Å; Q179-A183 PolarHBondContact O-N 2.97Å; N180-A183 PolarHBondContact O-N 3.06Å; A183-L186 PolarHBondContact O-N 2.61Å; A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 2.8Å; A183-I193 HydrophobicContact CB-CD1 4.49Å
184	A	98.3	Very high	95	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.5	-42.9	173.2	0	0	0	0	0	112.4	K105 I106 Q108 A109 N180 E181 V182 L186 A187 E188	K105-A184 VanDerWaalsContact O-CB 3.24Å; K105-A184 WeakPolarHBondContact O-CB 3.02Å; I106-A184 WeakPolarHBondContact CD1-O 3.45Å; Q108-A184 HydrophobicContact CB-CB 4.35Å; A109-A184 HydrophobicContact CB-CB 4.32Å; N180-A184 WeakPolarHBondContact O-CB 3.18Å; N180-A184 PolarHBondContact O-N 3.01Å; E181-A184 WeakPolarHBondContact O-CB 3.16Å; E181-A184 PolarHBondContact O-N 3.1Å; V182-A184 PolarHBondContact O-N 2.94Å; A184-L186 VanDerWaalsContact C-N 3.34Å; A184-L186 PolarHBondContact O-N 3.49Å; A184-A187 PolarHBondContact O-N 3.19Å; A184-E188 VanDerWaalsContact O-CB 3.27Å; A184-E188 WeakPolarHBondContact O-CB 3.49Å; A184-E188 PolarHBondContact O-N 3.09Å
185	A	98.6	Very high	95.5	Very high	2 Å²	2	23 Å²	23	2%	0.017	12%	0.123	C	C	.	.	H	α-helix	trans	-64.9	-34.7	178	0	0	0	0	0	113.5	A109 I116 E181 V182 S189	A109-A185 WeakPolarHBondContact O-CB 3.28Å; I116-A185 HydrophobicContact CD1-CB 3.74Å; E181-A185 PolarHBondContact O-N 3.14Å; V182-A185 PolarHBondContact O-N 3.38Å; V182-A185 VanDerWaalsContact O-N 3.09Å; A185-S189 PolarHBondContact O-N 3.25Å; A185-S189 VanDerWaalsContact O-N 3.12Å
186	L	98.4	Very high	95.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-70.2	-45	172.8	-73.4	170.6	0	0	0	111.8	A155 L158 V182 A183 A184 E188 S189 G190 V191 I193	A155-L186 HydrophobicContact CB-CD1 3.89Å; A155-L186 HydrophobicContact CB-CD2 3.82Å; A155-L186 HydrophobicContact CB-CG 3.93Å; L158-L186 HydrophobicContact CB-CD2 4.39Å; L158-L186 HydrophobicContact CD2-CD1 3.87Å; L158-L186 HydrophobicContact CD2-CD2 4.17Å; V182-L186 HydrophobicContact CG1-CD1 4.37Å; V182-L186 PolarHBondContact O-N 3.34Å; A183-L186 PolarHBondContact O-N 2.61Å; A184-L186 VanDerWaalsContact C-N 3.34Å; A184-L186 PolarHBondContact O-N 3.49Å; L186-E188 VanDerWaalsContact C-N 3.29Å; L186-E188 PolarHBondContact O-N 2.51Å; L186-S189 PolarHBondContact O-N 2.78Å; L186-S189 PolarHBondContact O-OG 2.9Å; L186-G190 PolarHBondContact O-N 2.95Å; L186-V191 HydrophobicContact CB-CB 4.24Å; L186-V191 HydrophobicContact CD2-CG2 4.22Å; L186-V191 WeakPolarHBondContact O-CB 3.27Å; L186-V191 PolarHBondContact O-N 3.15Å; L186-I193 HydrophobicContact CB-CD1 4.26Å; L186-I193 HydrophobicContact CB-CG2 4.28Å; L186-I193 HydrophobicContact CD1-CD1 3.56Å
187	A	98.2	Very high	96.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.8	-40.4	174.5	0	0	0	0	0	111.8	N94 F101 V103 I106 A183 A184 S189 G190 I193	N94-A187 PolarHBondContact ND2-O 3.33Å; F101-A187 HydrophobicContact CB-CB 3.91Å; F101-A187 HydrophobicContact CD1-CB 3.94Å; F101-A187 HydrophobicContact CD2-CB 3.61Å; F101-A187 HydrophobicContact CE1-CB 4.31Å; F101-A187 HydrophobicContact CE2-CB 4.04Å; F101-A187 HydrophobicContact CG-CB 3.55Å; F101-A187 HydrophobicContact CZ-CB 4.38Å; V103-A187 HydrophobicContact CG1-CB 4.17Å; V103-A187 HydrophobicContact CG2-CB 4.38Å; I106-A187 HydrophobicContact CD1-CB 3.64Å; A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 2.8Å; A184-A187 PolarHBondContact O-N 3.19Å; A187-S189 VanDerWaalsContact C-N 3.32Å; A187-S189 PolarHBondContact O-N 3.11Å; A187-G190 PolarHBondContact O-N 3.16Å; A187-G190 VanDerWaalsContact O-N 3.11Å; A187-I193 HydrophobicContact CB-CG2 3.98Å
188	E	98.2	Very high	96.5	Very high	45 Å²	45	21.7 Å²	21.7	21%	0.21	13%	0.127	C	C	.	.	H	α-helix	trans	-64.6	-34.7	176.2	-172.9	58.2	-137.4	0	0	112.4	N94 S95 I106 A109 A184 L186 G190	N94-E188 WeakPolarHBondContact CB-OE2 3.3Å; N94-E188 PolarHBondContact ND2-O 3.04Å; N94-E188 VanDerWaalsContact ND2-O 3.1Å; S95-E188 WeakPolarHBondContact CB-OE1 3.36Å; S95-E188 PolarHBondContact N-OE1 3.48Å; S95-E188 VanDerWaalsContact N-OE1 3.14Å; S95-E188 PolarHBondContact N-OE2 2.98Å; S95-E188 PolarHBondContact OG-OE1 3.07Å; I106-E188 HydrophobicContact CD1-CB 4.24Å; A109-E188 HydrophobicContact CB-CB 3.51Å; A109-E188 HydrophobicContact CB-CG 3.77Å; A184-E188 VanDerWaalsContact O-CB 3.27Å; A184-E188 WeakPolarHBondContact O-CB 3.49Å; A184-E188 PolarHBondContact O-N 3.09Å; L186-E188 VanDerWaalsContact C-N 3.29Å; L186-E188 PolarHBondContact O-N 2.51Å; E188-G190 PolarHBondContact O-N 3.41Å
189	S	97.4	Very high	96.4	Very high	41 Å²	41	21.8 Å²	21.8	29%	0.287	13%	0.127	S	C	.	.	H	α-helix	trans	-76	-5.2	175	71	0	0	0	0	114.1	A185 L186 A187	A185-S189 PolarHBondContact O-N 3.25Å; A185-S189 VanDerWaalsContact O-N 3.12Å; L186-S189 PolarHBondContact O-N 2.78Å; L186-S189 PolarHBondContact O-OG 2.9Å; A187-S189 VanDerWaalsContact C-N 3.32Å; A187-S189 PolarHBondContact O-N 3.11Å
190	G	97.2	Very high	96.4	Very high	31 Å²	31	22.3 Å²	22.3	32%	0.32	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	17.1	178.5	0	0	0	0	0	114.1	F98 L186 A187 E188	F98-G190 WeakPolarHBondContact CZ-O 3.34Å; L186-G190 PolarHBondContact O-N 2.95Å; A187-G190 PolarHBondContact O-N 3.16Å; A187-G190 VanDerWaalsContact O-N 3.11Å; E188-G190 PolarHBondContact O-N 3.41Å
191	V	97.6	Very high	96.2	Very high	12 Å²	12	28.4 Å²	28.4	7%	0.073	16%	0.162	C	C	.	.			trans	-79.6	127.3	173.3	174.7	0	0	0	0	109.7	L158 V168 L186 I193	L158-V191 HydrophobicContact CD2-CG1 4.29Å; V168-V191 HydrophobicContact CG2-CG1 3.92Å; L186-V191 HydrophobicContact CB-CB 4.24Å; L186-V191 HydrophobicContact CD2-CG2 4.22Å; L186-V191 WeakPolarHBondContact O-CB 3.27Å; L186-V191 PolarHBondContact O-N 3.15Å; V191-I193 PolarHBondContact O-N 3.39Å
192	P	98	Very high	96.1	Very high	18 Å²	18	32.9 Å²	32.9	12%	0.117	18%	0.183	C	C	.	.			trans	-68.1	104.6	170.7	-14.6	27.2	0	0	0	111.2	F98 D100 V168 R169 W170	F98-P192 HydrophobicContact CZ-CB 4.29Å; F98-P192 HydrophobicContact CZ-CG 3.94Å; D100-P192 WeakPolarHBondContact O-CA 3.43Å; D100-P192 WeakPolarHBondContact O-CB 3.24Å; V168-P192 WeakPolarHBondContact O-CD 3.28Å; R169-P192 WeakPolarHBondContact CA-O 3.2Å; R169-P192 HydrophobicContact CB-CB 4.48Å; R169-P192 HydrophobicContact CG-CB 4.03Å; R169-P192 HydrophobicContact CG-CG 4.11Å; W170-P192 PolarHBondContact N-O 3.12Å
193	I	98.3	Very high	96.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.7	-177	-171.4	160.1	0	0	0	111.8	F101 C102 V103 V150 W170 A183 L186 A187 V191 A195	F101-I193 CarbonylContact C-O 3.5Å; F101-I193 WeakPolarHBondContact CA-O 3.1Å; F101-I193 HydrophobicContact CB-CG2 4.28Å; F101-I193 WeakPolarHBondContact CB-O 3.35Å; C102-I193 PolarHBondContact N-O 3.24Å; V103-I193 HydrophobicContact CG1-CG2 3.88Å; V150-I193 HydrophobicContact CG1-CD1 3.72Å; V150-I193 HydrophobicContact CG2-CD1 4.13Å; W170-I193 HydrophobicContact CB-CD1 4.38Å; W170-I193 HydrophobicContact CB-CG1 4.25Å; W170-I193 WeakPolarHBondContact O-CA 3.44Å; A183-I193 HydrophobicContact CB-CD1 4.49Å; L186-I193 HydrophobicContact CB-CD1 4.26Å; L186-I193 HydrophobicContact CB-CG2 4.28Å; L186-I193 HydrophobicContact CD1-CD1 3.56Å; A187-I193 HydrophobicContact CB-CG2 3.98Å; V191-I193 PolarHBondContact O-N 3.39Å; I193-A195 HydrophobicContact CG1-CB 4.23Å
194	Y	98.2	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	88.3	-178.5	-66.9	-98.5	0	0	0	108	Y85 D100 C102 W170 C171 W206 C207 R210 C211	Y85-Y194 AromaticContact CE2-CE1 3.8Å; Y85-Y194 HydrophobicContact CE2-CE1 3.8Å; Y85-Y194 AromaticContact CZ-CE1 3.78Å; Y85-Y194 PolarHBondContact OH-OH 3.14Å; D100-Y194 PolarHBondContact OD1-OH 3.16Å; C102-Y194 HydrophobicContact CB-CD1 3.63Å; C102-Y194 HydrophobicContact CB-CE1 4.11Å; C102-Y194 HydrophobicContact CB-CG 4.42Å; C102-Y194 WeakPolarHBondContact O-CA 3.4Å; W170-Y194 PolarHBondContact O-N 2.84Å; C171-Y194 WeakPolarHBondContact CA-O 3.46Å; C171-Y194 WeakPolarHBondContact CB-O 3.26Å; Y194-W206 HydrophobicContact CD1-CH2 4.07Å; Y194-W206 AromaticContact CD1-CZ3 3.96Å; Y194-W206 HydrophobicContact CD1-CZ3 3.96Å; Y194-W206 HydrophobicContact CE1-CH2 4.26Å; Y194-C207 WeakPolarHBondContact O-CB 3.43Å; Y194-R210 HydrophobicContact CD1-CB 4.1Å; Y194-R210 HydrophobicContact CD1-CG 3.79Å; Y194-R210 HydrophobicContact CE1-CB 4.12Å; Y194-R210 HydrophobicContact CE1-CG 3.31Å; Y194-R210 HydrophobicContact CE2-CG 4.38Å; Y194-R210 HydrophobicContact CG-CG 4.49Å; Y194-C211 VanDerWaalsContact CD2-SG 3.52Å
195	A	96.8	Very high	95.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.			trans	-163.4	139.3	-174.6	0	0	0	0	0	112.4	C102 V150 A172 T178 I193 E199	C102-A195 PolarHBondContact O-N 2.83Å; V150-A195 HydrophobicContact CB-CB 4.37Å; V150-A195 HydrophobicContact CG2-CB 3.75Å; A172-A195 HydrophobicContact CB-CB 4.02Å; T178-A195 HydrophobicContact CG2-CB 4.01Å; I193-A195 HydrophobicContact CG1-CB 4.23Å; A195-E199 VanDerWaalsContact CA-OE1 3.29Å; A195-E199 WeakPolarHBondContact CA-OE1 3.47Å
196	W	96.5	Very high	95.8	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.027	21%	0.211	C	C	.	.			trans	-151.2	164.4	165.1	61.1	97.1	0	0	0	111.1	P81 K82 C102 Q104 T178 N180 E199 D203 W206 C207	P81-W196 HydrophobicContact CB-CD2 3.86Å; P81-W196 HydrophobicContact CB-CE3 3.84Å; P81-W196 HydrophobicContact CB-CG 4.38Å; P81-W196 HydrophobicContact CB-CH2 4.38Å; P81-W196 HydrophobicContact CB-CZ2 4.35Å; P81-W196 HydrophobicContact CB-CZ3 4.12Å; P81-W196 HydrophobicContact CG-CB 4.33Å; P81-W196 HydrophobicContact CG-CD2 3.69Å; P81-W196 HydrophobicContact CG-CE3 4.19Å; P81-W196 HydrophobicContact CG-CG 3.75Å; P81-W196 HydrophobicContact CG-CZ2 4.48Å; K82-W196 HydrophobicContact CB-CH2 3.94Å; K82-W196 HydrophobicContact CB-CZ2 4.38Å; C102-W196 HydrophobicContact CB-CZ3 4.41Å; Q104-W196 HydrophobicContact CB-CB 4.11Å; T178-W196 VanDerWaalsContact CB-C 3.46Å; T178-W196 PolarHBondContact OG1-O 3.19Å; N180-W196 WeakPolarHBondContact OD1-CA 3.39Å; W196-E199 HydrophobicContact CD2-CG 3.74Å; W196-E199 HydrophobicContact CE3-CG 4.29Å; W196-E199 HydrophobicContact CG-CG 4.08Å; W196-E199 HydrophobicContact CH2-CG 4.39Å; W196-E199 HydrophobicContact CZ2-CG 3.91Å; W196-E199 PolarHBondContact N-OE1 3.2Å; W196-E199 WeakPolarHBondContact O-CG 3.5Å; W196-D203 HydrophobicContact CH2-CB 3.85Å; W196-D203 HydrophobicContact CZ2-CB 3.54Å; W196-W206 HydrophobicContact CH2-CE3 4.5Å; W196-W206 HydrophobicContact CH2-CZ3 4.47Å; W196-W206 HydrophobicContact CZ3-CZ3 4.43Å; W196-C207 WeakPolarHBondContact CZ3-SG 3.41Å
197	K	91.4	Very high	95.8	Very high	124 Å²	124	40.1 Å²	40.1	54%	0.539	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	131	176	-165.3	171.5	-177.2	171.7	0	110.2	T178 N180	T178-K197 WeakPolarHBondContact O-CB 3.47Å; N180-K197 PolarHBondContact OD1-N 3.08Å
198	G	87.8	Confident	95.8	Very high	41 Å²	41	40.1 Å²	40.1	42%	0.423	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	32.5	179.4	0	0	0	0	0	113.7	I175	I175-G198 WeakPolarHBondContact O-CA 3.4Å; I175-G198 PolarHBondContact O-N 3.45Å
199	E	91	Very high	95.8	Very high	5 Å²	5	40 Å²	40	2%	0.023	21%	0.211	C	C	.	.			trans	-56.2	141.7	169.5	-75.3	165	-157.9	0	0	111.1	I175 A195 W196 D203 F204	I175-E199 HydrophobicContact CB-CB 3.93Å; I175-E199 WeakPolarHBondContact CB-O 3.14Å; I175-E199 HydrophobicContact CG2-CB 3.81Å; I175-E199 PolarHBondContact O-N 2.8Å; A195-E199 VanDerWaalsContact CA-OE1 3.29Å; A195-E199 WeakPolarHBondContact CA-OE1 3.47Å; W196-E199 HydrophobicContact CD2-CG 3.74Å; W196-E199 HydrophobicContact CE3-CG 4.29Å; W196-E199 HydrophobicContact CG-CG 4.08Å; W196-E199 HydrophobicContact CH2-CG 4.39Å; W196-E199 HydrophobicContact CZ2-CG 3.91Å; W196-E199 PolarHBondContact N-OE1 3.2Å; W196-E199 WeakPolarHBondContact O-CG 3.5Å; E199-D203 HydrophobicContact CB-CB 4.2Å; E199-D203 HydrophobicContact CG-CB 4.38Å; E199-F204 WeakPolarHBondContact OE2-CA 3.21Å
200	T	93.4	Very high	95.7	Very high	71 Å²	71	42 Å²	42	44%	0.436	21%	0.213	S	C	.	.			trans	-73.2	162.7	162.7	67.6	0	0	0	0	109.7	E202 D203 F204	T200-E202 PolarHBondContact O-N 2.98Å; T200-D203 PolarHBondContact N-OD2 3.17Å; T200-D203 PolarHBondContact O-N 3.01Å; T200-D203 VanDerWaalsContact O-N 3.09Å; T200-D203 WeakPolarHBondContact OG1-CB 3.44Å; T200-D203 PolarHBondContact OG1-N 2.98Å; T200-D203 VanDerWaalsContact OG1-N 3.14Å; T200-D203 PolarHBondContact OG1-OD2 3.15Å; T200-F204 PolarHBondContact O-N 3.05Å
201	E	90.8	Very high	95.8	Very high	154 Å²	154	40.5 Å²	40.5	72%	0.72	20%	0.198	S	C	*	.	H	α-helix	trans	-57.9	-35	174.2	-67.7	-172.6	174.2	0	0	112.1	W205	E201-W205 PolarHBondContact O-N 2.94Å
202	E	96.3	Very high	95.8	Very high	140 Å²	140	40 Å²	40	65%	0.654	20%	0.195	S	C	*	.	H	α-helix	trans	-67.1	-40.9	176.1	-165.7	-163.5	136	0	0	111.7	K82 T200 W206	K82-E202 IonicContact NZ-OE1 3.25Å; K82-E202 PolarHBondContact NZ-OE1 3.06Å; T200-E202 PolarHBondContact O-N 2.98Å; E202-W206 VanDerWaalsContact O-CB 3.29Å; E202-W206 WeakPolarHBondContact O-CB 3.24Å; E202-W206 PolarHBondContact O-N 3.3Å
203	D	97	Very high	95.6	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.027	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-40.2	178.3	-63.7	-29.7	0	0	0	111.8	N80 K82 W196 E199 T200 W206 C207	N80-D203 PolarHBondContact ND2-OD2 3.42Å; K82-D203 WeakPolarHBondContact CD-OD1 3.38Å; K82-D203 IonicContact NZ-OD1 2.72Å; K82-D203 PolarHBondContact NZ-OD1 3.22Å; W196-D203 HydrophobicContact CH2-CB 3.85Å; W196-D203 HydrophobicContact CZ2-CB 3.54Å; E199-D203 HydrophobicContact CB-CB 4.2Å; E199-D203 HydrophobicContact CG-CB 4.38Å; T200-D203 PolarHBondContact N-OD2 3.17Å; T200-D203 PolarHBondContact O-N 3.01Å; T200-D203 VanDerWaalsContact O-N 3.09Å; T200-D203 WeakPolarHBondContact OG1-CB 3.44Å; T200-D203 PolarHBondContact OG1-N 2.98Å; T200-D203 VanDerWaalsContact OG1-N 3.14Å; T200-D203 PolarHBondContact OG1-OD2 3.15Å; D203-W206 CarbonylContact O-C 3.27Å; D203-W206 WeakPolarHBondContact O-CA 3.37Å; D203-W206 WeakPolarHBondContact O-CB 3.34Å; D203-W206 PolarHBondContact O-N 3.29Å; D203-W206 VanDerWaalsContact O-N 3.14Å; D203-C207 PolarHBondContact O-N 2.87Å; D203-C207 PolarHBondContact O-SG 3.39Å; D203-C207 VanDerWaalsContact O-SG 3.34Å
204	F	94.7	Very high	95.4	Very high	17 Å²	17	42.4 Å²	42.4	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-55.2	-53.9	175.6	176.2	-103.9	0	0	0	112.1	A172 I175 E199 T200 W206 C207 I208 D228	A172-F204 WeakPolarHBondContact O-CE2 3.4Å; I175-F204 HydrophobicContact CG2-CB 3.81Å; I175-F204 HydrophobicContact CG2-CD2 3.94Å; I175-F204 HydrophobicContact CG2-CG 4.06Å; E199-F204 WeakPolarHBondContact OE2-CA 3.21Å; T200-F204 PolarHBondContact O-N 3.05Å; F204-W206 VanDerWaalsContact C-N 3.28Å; F204-W206 PolarHBondContact O-N 2.54Å; F204-C207 WeakPolarHBondContact O-CB 3.28Å; F204-C207 PolarHBondContact O-N 3.1Å; F204-I208 HydrophobicContact CD1-CD1 4.2Å; F204-I208 HydrophobicContact CE1-CD1 3.62Å; F204-I208 HydrophobicContact CE2-CD1 4.26Å; F204-I208 HydrophobicContact CZ-CD1 3.67Å; F204-I208 PolarHBondContact O-N 3.45Å; F204-I208 VanDerWaalsContact O-N 3.17Å; F204-D228 HydrophobicContact CZ-CB 4.4Å
205	W	97.4	Very high	95.1	Very high	88 Å²	88	51.6 Å²	51.6	33%	0.333	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-33.7	177	-70.8	114.5	0	0	0	112.1	E201 I208 N209 D228 Q232	E201-W205 PolarHBondContact O-N 2.94Å; W205-I208 HydrophobicContact CE3-CD1 4.02Å; W205-I208 HydrophobicContact CZ3-CD1 4.05Å; W205-N209 WeakPolarHBondContact O-CB 3.37Å; W205-N209 PolarHBondContact O-N 3.28Å; W205-N209 PolarHBondContact O-ND2 3.07Å; W205-D228 HydrophobicContact CH2-CB 4.32Å; W205-Q232 HydrophobicContact CZ3-CB 4.37Å
206	W	97.8	Very high	95	Very high	43 Å²	43	55.3 Å²	55.3	16%	0.163	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-43.9	174.4	178.9	88.5	0	0	0	111.9	K82 Y85 L86 C102 Y194 W196 E202 D203 F204 N209 R210	K82-W206 HydrophobicContact CB-CE3 4.4Å; K82-W206 HydrophobicContact CB-CZ3 4.34Å; K82-W206 HydrophobicContact CD-CB 4.39Å; K82-W206 HydrophobicContact CD-CD2 3.89Å; K82-W206 HydrophobicContact CD-CE3 4.2Å; K82-W206 HydrophobicContact CD-CG 3.95Å; K82-W206 HydrophobicContact CG-CD2 3.9Å; K82-W206 HydrophobicContact CG-CE3 4.03Å; K82-W206 HydrophobicContact CG-CG 4.44Å; K82-W206 HydrophobicContact CG-CH2 4.28Å; K82-W206 HydrophobicContact CG-CZ2 4.15Å; K82-W206 HydrophobicContact CG-CZ3 4.22Å; Y85-W206 AromaticContact CD1-CH2 3.65Å; Y85-W206 HydrophobicContact CD1-CH2 3.65Å; Y85-W206 AromaticContact CD1-CZ2 3.73Å; Y85-W206 HydrophobicContact CD1-CZ2 3.73Å; Y85-W206 HydrophobicContact CE1-CH2 4.02Å; Y85-W206 AromaticContact CE1-CZ2 3.97Å; Y85-W206 HydrophobicContact CE1-CZ2 3.97Å; Y85-W206 HydrophobicContact CG-CH2 4.03Å; L86-W206 HydrophobicContact CD2-CZ2 4.17Å; C102-W206 HydrophobicContact CB-CH2 4.24Å; C102-W206 HydrophobicContact CB-CZ3 4.12Å; Y194-W206 HydrophobicContact CD1-CH2 4.07Å; Y194-W206 AromaticContact CD1-CZ3 3.96Å; Y194-W206 HydrophobicContact CD1-CZ3 3.96Å; Y194-W206 HydrophobicContact CE1-CH2 4.26Å; W196-W206 HydrophobicContact CH2-CE3 4.5Å; W196-W206 HydrophobicContact CH2-CZ3 4.47Å; W196-W206 HydrophobicContact CZ3-CZ3 4.43Å; E202-W206 VanDerWaalsContact O-CB 3.29Å; E202-W206 WeakPolarHBondContact O-CB 3.24Å; E202-W206 PolarHBondContact O-N 3.3Å; D203-W206 CarbonylContact O-C 3.27Å; D203-W206 WeakPolarHBondContact O-CA 3.37Å; D203-W206 WeakPolarHBondContact O-CB 3.34Å; D203-W206 PolarHBondContact O-N 3.29Å; D203-W206 VanDerWaalsContact O-N 3.14Å; F204-W206 VanDerWaalsContact C-N 3.28Å; F204-W206 PolarHBondContact O-N 2.54Å; W206-N209 PolarHBondContact O-N 2.79Å; W206-R210 HydrophobicContact CZ2-CG 4.44Å; W206-R210 VanDerWaalsContact O-CB 3.3Å; W206-R210 WeakPolarHBondContact O-CB 3.44Å; W206-R210 PolarHBondContact O-N 2.86Å
207	C	98.2	Very high	95	Very high	1 Å²	1	56 Å²	56	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-59.5	-47.4	176.1	-73.4	0	0	0	0	112.1	C171 Y194 W196 D203 F204 R210 C211	C171-C207 HydrophobicContact CB-CB 4.18Å; Y194-C207 WeakPolarHBondContact O-CB 3.43Å; W196-C207 WeakPolarHBondContact CZ3-SG 3.41Å; D203-C207 PolarHBondContact O-N 2.87Å; D203-C207 PolarHBondContact O-SG 3.39Å; D203-C207 VanDerWaalsContact O-SG 3.34Å; F204-C207 WeakPolarHBondContact O-CB 3.28Å; F204-C207 PolarHBondContact O-N 3.1Å; C207-R210 PolarHBondContact O-N 3.43Å; C207-C211 PolarHBondContact O-N 2.9Å; C207-C211 VanDerWaalsContact O-N 3.1Å; C207-C211 PolarHBondContact O-SG 2.72Å
208	I	98	Very high	95.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-52.6	176.2	-69.6	172.8	0	0	0	110.5	F204 W205 R210 C211 I212 D228 L229 Q232	F204-I208 HydrophobicContact CD1-CD1 4.2Å; F204-I208 HydrophobicContact CE1-CD1 3.62Å; F204-I208 HydrophobicContact CE2-CD1 4.26Å; F204-I208 HydrophobicContact CZ-CD1 3.67Å; F204-I208 PolarHBondContact O-N 3.45Å; F204-I208 VanDerWaalsContact O-N 3.17Å; W205-I208 HydrophobicContact CE3-CD1 4.02Å; W205-I208 HydrophobicContact CZ3-CD1 4.05Å; I208-R210 PolarHBondContact O-N 3.33Å; I208-C211 PolarHBondContact O-N 2.93Å; I208-C211 VanDerWaalsContact O-N 3.15Å; I208-I212 HydrophobicContact CG2-CD1 3.69Å; I208-I212 HydrophobicContact CG2-CG1 4.46Å; I208-I212 WeakPolarHBondContact O-CG1 3.27Å; I208-I212 PolarHBondContact O-N 2.75Å; I208-D228 HydrophobicContact CD1-CB 4.31Å; I208-L229 HydrophobicContact CG2-CD1 4.04Å; I208-Q232 HydrophobicContact CG2-CB 4.06Å; I208-Q232 HydrophobicContact CG2-CG 4Å
209	N	97.8	Very high	95.7	Very high	41 Å²	41	53.2 Å²	53.2	22%	0.219	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-38.4	-179.8	-71.7	-31.2	0	0	0	111.7	W205 W206 C211 I212 S213 Q232 Y237	W205-N209 WeakPolarHBondContact O-CB 3.37Å; W205-N209 PolarHBondContact O-N 3.28Å; W205-N209 PolarHBondContact O-ND2 3.07Å; W206-N209 PolarHBondContact O-N 2.79Å; N209-C211 VanDerWaalsContact C-N 3.31Å; N209-C211 PolarHBondContact O-N 2.7Å; N209-I212 PolarHBondContact O-N 2.87Å; N209-S213 PolarHBondContact O-N 3.06Å; N209-S213 PolarHBondContact O-OG 3.39Å; N209-S213 VanDerWaalsContact O-OG 3.1Å; N209-Q232 PolarHBondContact OD1-NE2 3.14Å; N209-Y237 PolarHBondContact OD1-OH 3.41Å
210	R	96.4	Very high	96	Very high	84 Å²	84	54.7 Å²	54.7	32%	0.317	28%	0.284	S	S	.	.	H	α-helix	trans	-69.6	-30.4	-179.1	-165	47.1	169.7	166.4	-4.7	113	Y85 Y194 W206 C207 I208	Y85-R210 PolarHBondContact OH-NE 3.06Å; Y194-R210 HydrophobicContact CD1-CB 4.1Å; Y194-R210 HydrophobicContact CD1-CG 3.79Å; Y194-R210 HydrophobicContact CE1-CB 4.12Å; Y194-R210 HydrophobicContact CE1-CG 3.31Å; Y194-R210 HydrophobicContact CE2-CG 4.38Å; Y194-R210 HydrophobicContact CG-CG 4.49Å; W206-R210 HydrophobicContact CZ2-CG 4.44Å; W206-R210 VanDerWaalsContact O-CB 3.3Å; W206-R210 WeakPolarHBondContact O-CB 3.44Å; W206-R210 PolarHBondContact O-N 2.86Å; C207-R210 PolarHBondContact O-N 3.43Å; I208-R210 PolarHBondContact O-N 3.33Å
211	C	97.7	Very high	96.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-72.3	-40.3	172	-64.6	0	0	0	0	112	L145 W170 Y194 C207 I208 N209	L145-C211 HydrophobicContact CD1-CB 3.55Å; W170-C211 PolarHBondContact O-SG 2.9Å; W170-C211 VanDerWaalsContact O-SG 3.33Å; Y194-C211 VanDerWaalsContact CD2-SG 3.52Å; C207-C211 PolarHBondContact O-N 2.9Å; C207-C211 VanDerWaalsContact O-N 3.1Å; C207-C211 PolarHBondContact O-SG 2.72Å; I208-C211 PolarHBondContact O-N 2.93Å; I208-C211 VanDerWaalsContact O-N 3.15Å; N209-C211 VanDerWaalsContact C-N 3.31Å; N209-C211 PolarHBondContact O-N 2.7Å
212	I	97.8	Very high	96.6	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-51.3	178.5	-64	161.9	0	0	0	111.5	L145 I208 N209 A214 L229 Q232 L233 Y237 L240	L145-I212 HydrophobicContact CD2-CB 4.41Å; L145-I212 HydrophobicContact CD2-CG1 3.77Å; I208-I212 HydrophobicContact CG2-CD1 3.69Å; I208-I212 HydrophobicContact CG2-CG1 4.46Å; I208-I212 WeakPolarHBondContact O-CG1 3.27Å; I208-I212 PolarHBondContact O-N 2.75Å; N209-I212 PolarHBondContact O-N 2.87Å; I212-A214 VanDerWaalsContact C-N 3.33Å; I212-A214 PolarHBondContact O-N 3.45Å; I212-L229 HydrophobicContact CD1-CD1 3.88Å; I212-L229 HydrophobicContact CG1-CD1 3.74Å; I212-Q232 HydrophobicContact CD1-CB 4.07Å; I212-Q232 HydrophobicContact CD1-CG 3.66Å; I212-L233 HydrophobicContact CD1-CD2 4.4Å; I212-L233 HydrophobicContact CG1-CD2 4.23Å; I212-L233 HydrophobicContact CG2-CD2 3.98Å; I212-Y237 HydrophobicContact CB-CD2 4.46Å; I212-Y237 HydrophobicContact CB-CE2 4.32Å; I212-Y237 HydrophobicContact CD1-CD2 3.85Å; I212-Y237 HydrophobicContact CD1-CE2 3.81Å; I212-Y237 HydrophobicContact CG2-CD1 3.72Å; I212-Y237 HydrophobicContact CG2-CD2 3.71Å; I212-Y237 HydrophobicContact CG2-CE1 3.96Å; I212-Y237 HydrophobicContact CG2-CE2 3.95Å; I212-Y237 HydrophobicContact CG2-CG 3.57Å; I212-L240 HydrophobicContact CG2-CD1 3.55Å
213	S	94.7	Very high	96.7	Very high	57 Å²	57	37.3 Å²	37.3	40%	0.399	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	39.6	-169.1	79	0	0	0	0	113	N209	N209-S213 PolarHBondContact O-N 3.06Å; N209-S213 PolarHBondContact O-OG 3.39Å; N209-S213 VanDerWaalsContact O-OG 3.1Å
214	A	94.8	Very high	96.8	Very high	10 Å²	10	37 Å²	37	8%	0.083	20%	0.197	C	C	.	.			trans	-72.3	130.5	178.3	0	0	0	0	0	111.2	R169 I212 G216 W217	R169-A214 VanDerWaalsContact NE-CB 3.28Å; I212-A214 VanDerWaalsContact C-N 3.33Å; I212-A214 PolarHBondContact O-N 3.45Å; A214-G216 PolarHBondContact O-N 3.42Å; A214-W217 HydrophobicContact CB-CB 4.05Å; A214-W217 PolarHBondContact O-N 2.6Å; A214-W217 VanDerWaalsContact O-N 3.16Å
215	E	91.8	Very high	96.7	Very high	193 Å²	193	37.3 Å²	37.3	90%	0.902	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	127.4	-177	-170.6	177	-178.2	0	0	111.2	W217	E215-W217 PolarHBondContact O-N 3Å
216	G	93.5	Very high	96.3	Very high	79 Å²	79	33.7 Å²	33.7	81%	0.814	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	3.7	-179.7	0	0	0	0	0	115.4	A214	A214-G216 PolarHBondContact O-N 3.42Å
217	W	96	Very high	96.1	Very high	22 Å²	22	31.8 Å²	31.8	8%	0.083	18%	0.183	C	C	.	.			trans	-121.7	110.2	-179.7	-165	97	0	0	0	110.9	K143 L145 R169 A214 E215 P219	K143-W217 HydrophobicContact CB-CH2 4.08Å; K143-W217 HydrophobicContact CB-CZ2 3.53Å; K143-W217 HydrophobicContact CG-CZ2 4.18Å; L145-W217 HydrophobicContact CB-CH2 4.18Å; L145-W217 HydrophobicContact CB-CZ3 4.28Å; L145-W217 HydrophobicContact CD1-CZ3 4.27Å; R169-W217 HydrophobicContact CB-CH2 4.06Å; R169-W217 HydrophobicContact CB-CZ2 4.33Å; R169-W217 HydrophobicContact CB-CZ3 4.29Å; R169-W217 HydrophobicContact CG-CD2 3.99Å; R169-W217 HydrophobicContact CG-CE3 4.12Å; R169-W217 HydrophobicContact CG-CH2 3.84Å; R169-W217 HydrophobicContact CG-CZ2 3.7Å; R169-W217 HydrophobicContact CG-CZ3 4.04Å; A214-W217 HydrophobicContact CB-CB 4.05Å; A214-W217 PolarHBondContact O-N 2.6Å; A214-W217 VanDerWaalsContact O-N 3.16Å; E215-W217 PolarHBondContact O-N 3Å; W217-P219 HydrophobicContact CH2-CB 4.1Å; W217-P219 HydrophobicContact CZ3-CB 3.68Å; W217-P219 HydrophobicContact CZ3-CG 4.32Å
218	I	96.8	Very high	95.9	Very high	105 Å²	105	33.2 Å²	33.2	54%	0.538	19%	0.191	S	C	.	.			trans	-106.9	121.5	179.4	-60	172.6	0	0	0	108.2	K143 L240	K143-I218 WeakPolarHBondContact CD-O 3.45Å; I218-L240 HydrophobicContact CG2-CD2 4.39Å
219	P	97.8	Very high	95.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.191	C	C	.	.			trans	-66.2	147.7	176.7	28.8	-35.6	0	0	0	111.2	K143 L145 W217 I244	K143-P219 WeakPolarHBondContact O-CA 3.39Å; L145-P219 HydrophobicContact CB-CB 3.82Å; L145-P219 HydrophobicContact CD2-CB 4.11Å; L145-P219 HydrophobicContact CD2-CG 4.09Å; W217-P219 HydrophobicContact CH2-CB 4.1Å; W217-P219 HydrophobicContact CZ3-CB 3.68Å; W217-P219 HydrophobicContact CZ3-CG 4.32Å; P219-I244 HydrophobicContact CG-CD1 4.3Å
220	N	97.7	Very high	95.9	Very high	36 Å²	36	31.3 Å²	31.3	19%	0.193	18%	0.181	C	C	.	.			trans	-127.9	-1.9	173.3	65.4	13.1	0	0	0	113.9	G141 K143 G243 I244 C245	G141-N220 PolarHBondContact O-ND2 3.01Å; G141-N220 VanDerWaalsContact O-ND2 3.14Å; K143-N220 PolarHBondContact N-OD1 3.04Å; K143-N220 PolarHBondContact O-N 2.96Å; K143-N220 PolarHBondContact O-OD1 2.88Å; N220-G243 WeakPolarHBondContact CA-O 3.39Å; N220-G243 WeakPolarHBondContact CB-O 3.31Å; N220-I244 CarbonylContact O-C 3.57Å; N220-I244 WeakPolarHBondContact O-CA 3.44Å; N220-C245 PolarHBondContact O-N 2.9Å; N220-C245 PolarHBondContact O-SG 2.86Å
221	V	98.2	Very high	95.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	149.9	170.7	65	0	0	0	0	108.9	A142 K143 I144 L145 L462	A142-V221 HydrophobicContact CB-CG1 4.37Å; K143-V221 PolarHBondContact O-N 2.75Å; I144-V221 WeakPolarHBondContact CA-O 3.07Å; I144-V221 HydrophobicContact CB-CG1 4.09Å; I144-V221 HydrophobicContact CG1-CG1 3.57Å; I144-V221 HydrophobicContact CG2-CG1 4.31Å; L145-V221 PolarHBondContact N-O 3.14Å; V221-L462 HydrophobicContact CG1-CD2 4.37Å; V221-L462 HydrophobicContact CG2-CD2 3.6Å
222	V	98.6	Very high	95.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.4	-174.7	172.5	0	0	0	0	110.7	L145 D224 L229 L233 I244 G246 I247 V248	L145-V222 WeakPolarHBondContact O-CA 3.26Å; V222-D224 HydrophobicContact CG1-CB 4.18Å; V222-L229 HydrophobicContact CG1-CD2 3.71Å; V222-L229 HydrophobicContact CG1-CG 4.23Å; V222-L233 HydrophobicContact CG2-CD1 3.66Å; V222-I244 HydrophobicContact CG2-CD1 4.01Å; V222-I244 HydrophobicContact CG2-CG2 4.11Å; V222-G246 PolarHBondContact N-O 3.15Å; V222-I247 HydrophobicContact CB-CB 4.4Å; V222-I247 HydrophobicContact CB-CG1 3.9Å; V222-I247 HydrophobicContact CB-CG2 4.48Å; V222-I247 HydrophobicContact CG1-CG1 4.22Å; V222-I247 HydrophobicContact CG1-CG2 4.19Å; V222-I247 HydrophobicContact CG2-CG1 4.38Å; V222-V248 PolarHBondContact O-N 3.3Å
223	L	98.5	Very high	95.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.8	164.4	-175.7	62.9	0	0	0	108.7	I144 L145 G146 C147 T148 L157 W170 V248 Q458 L462	I144-L223 HydrophobicContact CG2-CB 4.31Å; L145-L223 PolarHBondContact O-N 2.98Å; G146-L223 VanDerWaalsContact CA-O 3.28Å; G146-L223 WeakPolarHBondContact CA-O 3.27Å; C147-L223 PolarHBondContact N-O 3.34Å; T148-L223 HydrophobicContact CG2-CG 4.31Å; L157-L223 HydrophobicContact CD2-CD2 4.03Å; W170-L223 HydrophobicContact CH2-CB 4Å; W170-L223 HydrophobicContact CH2-CD2 3.52Å; W170-L223 HydrophobicContact CH2-CG 4.21Å; W170-L223 HydrophobicContact CZ2-CD2 3.84Å; W170-L223 HydrophobicContact CZ2-CG 4.44Å; L223-V248 HydrophobicContact CD1-CB 3.66Å; L223-V248 HydrophobicContact CD1-CG1 3.49Å; L223-V248 VanDerWaalsContact CD1-CG1 3.49Å; L223-Q458 HydrophobicContact CD1-CB 4.1Å; L223-Q458 HydrophobicContact CD1-CG 4.16Å; L223-L462 HydrophobicContact CB-CD2 4.42Å; L223-L462 HydrophobicContact CD2-CD1 4.24Å
224	D	97.9	Very high	96.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.2	-171.3	-155.3	0.4	0	0	0	111.1	V222 G227 L229 T230 V248 E249 E250	V222-D224 HydrophobicContact CG1-CB 4.18Å; D224-G227 WeakPolarHBondContact OD2-CA 3.21Å; D224-L229 PolarHBondContact OD2-N 3.08Å; D224-T230 WeakPolarHBondContact OD2-CA 3.47Å; D224-T230 WeakPolarHBondContact OD2-CB 3.43Å; D224-T230 PolarHBondContact OD2-N 2.8Å; D224-T230 PolarHBondContact OD2-OG1 3.42Å; D224-V248 PolarHBondContact N-O 2.85Å; D224-E249 WeakPolarHBondContact O-CA 3.47Å; D224-E250 PolarHBondContact O-N 3.47Å
225	D	93.9	Very high	96.2	Very high	22 Å²	22	34.2 Å²	34.2	12%	0.118	19%	0.187	C	C	.	.	S	Bend	trans	-135.8	103.3	175.6	178.2	5.8	0	0	0	108.2	C147 T148 H149 C173 E250 S251	C147-D225 PolarHBondContact O-N 2.93Å; T148-D225 HydrophobicContact CG2-CB 4Å; H149-D225 IonicContact CD2-OD2 3.22Å; H149-D225 PolarHBondContact CD2-OD2 3.08Å; H149-D225 VanDerWaalsContact CD2-OD2 3.27Å; H149-D225 IonicContact NE2-OD2 3.55Å; C173-D225 HydrophobicContact CB-CB 4.43Å; C173-D225 WeakPolarHBondContact CB-O 3.28Å; D225-E250 HydrophobicContact CB-CB 4.41Å; D225-S251 WeakPolarHBondContact OD1-CB 3.42Å
226	G	88.3	Confident	96.4	Very high	13 Å²	13	29 Å²	29	13%	0.134	17%	0.166	C	C	.	.	S	Bend	trans	106.3	-14.5	-178.4	0	0	0	0	0	113.5	E249 S251 R257	G226-E249 PolarHBondContact N-OE1 3.42Å; G226-S251 VanDerWaalsContact CA-OG 3.23Å; G226-S251 WeakPolarHBondContact CA-OG 3.3Å; G226-S251 PolarHBondContact N-OG 2.79Å; G226-R257 PolarHBondContact O-NH1 3.3Å; G226-R257 VanDerWaalsContact O-NH1 3.07Å
227	G	93.4	Very high	96.6	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.031	14%	0.135	C	C	.	.	S	Bend	trans	78.7	14.7	176.7	0	0	0	0	0	114.6	D224 H231 E249 R257	D224-G227 WeakPolarHBondContact OD2-CA 3.21Å; G227-H231 VanDerWaalsContact O-CB 3.26Å; G227-H231 WeakPolarHBondContact O-CB 3.4Å; G227-H231 PolarHBondContact O-N 3.12Å; G227-E249 WeakPolarHBondContact CA-OE2 3.45Å; G227-E249 PolarHBondContact N-OE2 2.97Å; G227-E249 VanDerWaalsContact N-OE2 3.12Å; G227-R257 PolarHBondContact O-NH1 2.69Å
228	D	95.1	Very high	96.6	Very high	30 Å²	30	32.7 Å²	32.7	16%	0.16	16%	0.159	C	C	.	.	H	α-helix	trans	-74	-41.6	-178.4	-74.8	-32.3	0	0	0	111.6	F204 W205 I208 H231 Q232 R257	F204-D228 HydrophobicContact CZ-CB 4.4Å; W205-D228 HydrophobicContact CH2-CB 4.32Å; I208-D228 HydrophobicContact CD1-CB 4.31Å; D228-H231 PolarHBondContact O-N 3.41Å; D228-Q232 WeakPolarHBondContact O-CB 3.39Å; D228-Q232 PolarHBondContact O-N 2.65Å; D228-R257 IonicContact OD1-CZ 2.74Å; D228-R257 IonicContact OD1-NH1 3.92Å; D228-R257 PolarHBondContact OD1-NH1 3.14Å; D228-R257 IonicContact OD1-NH2 3.16Å; D228-R257 PolarHBondContact OD1-NH2 3Å
229	L	97.6	Very high	96.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.6	-44.7	174.4	171.1	63.3	0	0	0	110.9	L145 C147 I208 I212 V222 D224 H231 Q232 L233	L145-L229 HydrophobicContact CB-CD2 4.48Å; L145-L229 HydrophobicContact CD2-CD1 3.76Å; L145-L229 HydrophobicContact CD2-CD2 4.28Å; L145-L229 HydrophobicContact CD2-CG 4.49Å; L145-L229 HydrophobicContact CG-CD1 4.03Å; L145-L229 HydrophobicContact CG-CD2 3.82Å; C147-L229 HydrophobicContact CB-CB 3.49Å; C147-L229 VanDerWaalsContact CB-CB 3.49Å; C147-L229 HydrophobicContact CB-CD2 3.73Å; C147-L229 HydrophobicContact CB-CG 4.18Å; I208-L229 HydrophobicContact CG2-CD1 4.04Å; I212-L229 HydrophobicContact CD1-CD1 3.88Å; I212-L229 HydrophobicContact CG1-CD1 3.74Å; V222-L229 HydrophobicContact CG1-CD2 3.71Å; V222-L229 HydrophobicContact CG1-CG 4.23Å; D224-L229 PolarHBondContact OD2-N 3.08Å; L229-H231 VanDerWaalsContact C-N 3.32Å; L229-H231 PolarHBondContact O-N 3.49Å; L229-Q232 PolarHBondContact O-N 2.89Å; L229-L233 HydrophobicContact CD1-CD1 4.39Å; L229-L233 HydrophobicContact CD1-CG 4.43Å; L229-L233 HydrophobicContact CG-CD1 4.3Å; L229-L233 WeakPolarHBondContact O-CG 3.26Å; L229-L233 PolarHBondContact O-N 2.97Å
230	T	97.9	Very high	96.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	17%	0.167	C	C	.	.	H	α-helix	trans	-58.1	-45.5	174.4	-65.7	0	0	0	0	111	D224 Q232 L233 H234 I247 L258	D224-T230 WeakPolarHBondContact OD2-CA 3.47Å; D224-T230 WeakPolarHBondContact OD2-CB 3.43Å; D224-T230 PolarHBondContact OD2-N 2.8Å; D224-T230 PolarHBondContact OD2-OG1 3.42Å; T230-Q232 VanDerWaalsContact C-N 3.34Å; T230-Q232 PolarHBondContact O-N 3.21Å; T230-L233 PolarHBondContact O-N 2.92Å; T230-H234 PolarHBondContact O-N 3.26Å; T230-H234 PolarHBondContact O-ND1 2.88Å; T230-I247 HydrophobicContact CG2-CD1 3.71Å; T230-L258 HydrophobicContact CG2-CD2 3.97Å
231	H	96.8	Very high	96.4	Very high	62 Å²	62	33.7 Å²	33.7	29%	0.287	16%	0.162	S	C	.	.	H	α-helix	trans	-61	-44.3	176.2	-179.7	69.1	0	0	0	111.5	G227 D228 L229 L233 H234 K235 Y261	G227-H231 VanDerWaalsContact O-CB 3.26Å; G227-H231 WeakPolarHBondContact O-CB 3.4Å; G227-H231 PolarHBondContact O-N 3.12Å; D228-H231 PolarHBondContact O-N 3.41Å; L229-H231 VanDerWaalsContact C-N 3.32Å; L229-H231 PolarHBondContact O-N 3.49Å; H231-L233 PolarHBondContact O-N 2.96Å; H231-H234 PolarHBondContact O-N 2.79Å; H231-K235 WeakPolarHBondContact O-CB 3.31Å; H231-K235 PolarHBondContact O-N 3.25Å; H231-Y261 PolarHBondContact ND1-OH 2.94Å
232	Q	97.6	Very high	96.2	Very high	14 Å²	14	40.1 Å²	40.1	7%	0.065	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-41.4	-179.7	-167.6	65.1	-7.2	0	0	112.4	W205 I208 N209 I212 D228 L229 T230 K235 N236 Y237	W205-Q232 HydrophobicContact CZ3-CB 4.37Å; I208-Q232 HydrophobicContact CG2-CB 4.06Å; I208-Q232 HydrophobicContact CG2-CG 4Å; N209-Q232 PolarHBondContact OD1-NE2 3.14Å; I212-Q232 HydrophobicContact CD1-CB 4.07Å; I212-Q232 HydrophobicContact CD1-CG 3.66Å; D228-Q232 WeakPolarHBondContact O-CB 3.39Å; D228-Q232 PolarHBondContact O-N 2.65Å; L229-Q232 PolarHBondContact O-N 2.89Å; T230-Q232 VanDerWaalsContact C-N 3.34Å; T230-Q232 PolarHBondContact O-N 3.21Å; Q232-K235 PolarHBondContact O-N 2.69Å; Q232-N236 VanDerWaalsContact CD-ND2 3.27Å; Q232-N236 PolarHBondContact NE2-ND2 3.44Å; Q232-N236 PolarHBondContact O-N 3.19Å; Q232-N236 PolarHBondContact OE1-ND2 2.83Å; Q232-N236 VanDerWaalsContact OE1-ND2 3.08Å; Q232-Y237 HydrophobicContact CG-CD2 4.3Å; Q232-Y237 HydrophobicContact CG-CE2 4.11Å
233	L	97.8	Very high	96.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.9	-48.2	173	-72.7	168.3	0	0	0	111.6	I212 V222 L229 T230 H231 K235 Y237 K238 L240 L241 I244	I212-L233 HydrophobicContact CD1-CD2 4.4Å; I212-L233 HydrophobicContact CG1-CD2 4.23Å; I212-L233 HydrophobicContact CG2-CD2 3.98Å; V222-L233 HydrophobicContact CG2-CD1 3.66Å; L229-L233 HydrophobicContact CD1-CD1 4.39Å; L229-L233 HydrophobicContact CD1-CG 4.43Å; L229-L233 HydrophobicContact CG-CD1 4.3Å; L229-L233 WeakPolarHBondContact O-CG 3.26Å; L229-L233 PolarHBondContact O-N 2.97Å; T230-L233 PolarHBondContact O-N 2.92Å; H231-L233 PolarHBondContact O-N 2.96Å; L233-K235 VanDerWaalsContact C-N 3.3Å; L233-K235 PolarHBondContact O-N 3.28Å; L233-Y237 CarbonylContact O-C 3.58Å; L233-Y237 PolarHBondContact O-N 3.08Å; L233-Y237 VanDerWaalsContact O-N 3.17Å; L233-K238 PolarHBondContact O-N 3.23Å; L233-L240 HydrophobicContact CD2-CD1 4.46Å; L233-L241 HydrophobicContact CB-CD2 4.06Å; L233-I244 HydrophobicContact CD1-CD1 4.01Å; L233-I244 HydrophobicContact CD2-CD1 4.31Å
234	H	97.3	Very high	96	Very high	10 Å²	10	42.4 Å²	42.4	5%	0.046	22%	0.223	C	C	.	.	H	α-helix	trans	-70.3	-24.1	179.7	-74.6	77.5	0	0	0	113.7	T230 H231 K238 Y261 G268	T230-H234 PolarHBondContact O-N 3.26Å; T230-H234 PolarHBondContact O-ND1 2.88Å; H231-H234 PolarHBondContact O-N 2.79Å; H234-K238 WeakPolarHBondContact O-CE 3.42Å; H234-K238 WeakPolarHBondContact O-CG 3.45Å; H234-Y261 HydrophobicContact CB-CE1 3.83Å; H234-G268 PolarHBondContact NE2-N 3.2Å
235	K	96.8	Very high	96	Very high	127 Å²	127	44.6 Å²	44.6	55%	0.552	24%	0.238	S	C	*	.	H	α-helix	trans	-88.9	-50.5	-178.4	-171.1	179.4	177.3	178.6	0	112.2	H231 Q232 L233	H231-K235 WeakPolarHBondContact O-CB 3.31Å; H231-K235 PolarHBondContact O-N 3.25Å; Q232-K235 PolarHBondContact O-N 2.69Å; L233-K235 VanDerWaalsContact C-N 3.3Å; L233-K235 PolarHBondContact O-N 3.28Å
236	N	97.2	Very high	96.1	Very high	84 Å²	84	43.6 Å²	43.6	45%	0.449	23%	0.232	S	C	.	.	H	α-helix	trans	-118.4	-13.6	-164.4	-65.3	-35	0	0	0	114.5	Q232	Q232-N236 VanDerWaalsContact CD-ND2 3.27Å; Q232-N236 PolarHBondContact NE2-ND2 3.44Å; Q232-N236 PolarHBondContact O-N 3.19Å; Q232-N236 PolarHBondContact OE1-ND2 2.83Å; Q232-N236 VanDerWaalsContact OE1-ND2 3.08Å
237	Y	97.4	Very high	96.6	Very high	43 Å²	43	43 Å²	43	17%	0.169	23%	0.226	C	C	.	.			trans	-133.8	41.9	-176.4	-58.4	-86.9	0	0	0	112.2	N209 I212 Q232 L233 E239 L240	N209-Y237 PolarHBondContact OD1-OH 3.41Å; I212-Y237 HydrophobicContact CB-CD2 4.46Å; I212-Y237 HydrophobicContact CB-CE2 4.32Å; I212-Y237 HydrophobicContact CD1-CD2 3.85Å; I212-Y237 HydrophobicContact CD1-CE2 3.81Å; I212-Y237 HydrophobicContact CG2-CD1 3.72Å; I212-Y237 HydrophobicContact CG2-CD2 3.71Å; I212-Y237 HydrophobicContact CG2-CE1 3.96Å; I212-Y237 HydrophobicContact CG2-CE2 3.95Å; I212-Y237 HydrophobicContact CG2-CG 3.57Å; Q232-Y237 HydrophobicContact CG-CD2 4.3Å; Q232-Y237 HydrophobicContact CG-CE2 4.11Å; L233-Y237 CarbonylContact O-C 3.58Å; L233-Y237 PolarHBondContact O-N 3.08Å; L233-Y237 VanDerWaalsContact O-N 3.17Å; Y237-E239 WeakPolarHBondContact CA-OE1 3.39Å; Y237-E239 WeakPolarHBondContact CA-OE2 3.41Å; Y237-E239 PolarHBondContact O-N 3.09Å; Y237-E239 VanDerWaalsContact O-N 3.14Å; Y237-L240 HydrophobicContact CD1-CD1 4.28Å; Y237-L240 HydrophobicContact CG-CD1 4.41Å; Y237-L240 WeakPolarHBondContact O-CB 3.14Å; Y237-L240 PolarHBondContact O-N 3.24Å
238	K	96.1	Very high	96.9	Very high	136 Å²	136	42.8 Å²	42.8	59%	0.591	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-57.5	-31.4	-173.5	-70.8	-179.3	178.9	178.5	0	112.7	L233 H234 L240 L241	L233-K238 PolarHBondContact O-N 3.23Å; H234-K238 WeakPolarHBondContact O-CE 3.42Å; H234-K238 WeakPolarHBondContact O-CG 3.45Å; K238-L240 VanDerWaalsContact C-N 3.26Å; K238-L240 PolarHBondContact O-N 2.99Å; K238-L241 WeakPolarHBondContact O-CB 3.2Å; K238-L241 PolarHBondContact O-N 2.96Å
239	E	95.8	Very high	97	Very high	114 Å²	114	41.4 Å²	41.4	53%	0.533	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-60.3	-33.9	177.8	67.6	-70.9	167.8	0	0	112.8	Y237 L241 T242	Y237-E239 WeakPolarHBondContact CA-OE1 3.39Å; Y237-E239 WeakPolarHBondContact CA-OE2 3.41Å; Y237-E239 PolarHBondContact O-N 3.09Å; Y237-E239 VanDerWaalsContact O-N 3.14Å; E239-L241 VanDerWaalsContact C-N 3.3Å; E239-L241 PolarHBondContact O-N 3.35Å; E239-T242 PolarHBondContact O-OG1 3.49Å
240	L	96.5	Very high	96.7	Very high	33 Å²	33	42.8 Å²	42.8	17%	0.173	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-71.5	-25.3	179.7	-61.1	-176.4	0	0	0	112.5	I212 I218 L233 Y237 K238 T242 G243	I212-L240 HydrophobicContact CG2-CD1 3.55Å; I218-L240 HydrophobicContact CG2-CD2 4.39Å; L233-L240 HydrophobicContact CD2-CD1 4.46Å; Y237-L240 HydrophobicContact CD1-CD1 4.28Å; Y237-L240 HydrophobicContact CG-CD1 4.41Å; Y237-L240 WeakPolarHBondContact O-CB 3.14Å; Y237-L240 PolarHBondContact O-N 3.24Å; K238-L240 VanDerWaalsContact C-N 3.26Å; K238-L240 PolarHBondContact O-N 2.99Å; L240-T242 PolarHBondContact O-N 2.67Å; L240-T242 VanDerWaalsContact O-N 3.13Å; L240-G243 PolarHBondContact O-N 3.21Å
241	L	96.6	Very high	96.3	Very high	14 Å²	14	42.9 Å²	42.9	7%	0.073	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-57.4	-30.1	179.6	-65.5	172.8	0	0	0	112	L233 K238 E239 G243 I244 V269	L233-L241 HydrophobicContact CB-CD2 4.06Å; K238-L241 WeakPolarHBondContact O-CB 3.2Å; K238-L241 PolarHBondContact O-N 2.96Å; E239-L241 VanDerWaalsContact C-N 3.3Å; E239-L241 PolarHBondContact O-N 3.35Å; L241-G243 PolarHBondContact O-N 3.15Å; L241-I244 HydrophobicContact CD2-CD1 4.38Å; L241-I244 PolarHBondContact O-N 3.38Å; L241-I244 VanDerWaalsContact O-N 3.13Å; L241-V269 HydrophobicContact CB-CG1 4.15Å; L241-V269 HydrophobicContact CD2-CG1 4.35Å; L241-V269 HydrophobicContact CD2-CG2 4.47Å; L241-V269 WeakPolarHBondContact O-CG1 3.08Å
242	T	94.1	Very high	95.7	Very high	135 Å²	135	43.5 Å²	43.5	83%	0.828	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-62.3	-24.8	177.6	60.7	0	0	0	0	113.8	E239 L240	E239-T242 PolarHBondContact O-OG1 3.49Å; L240-T242 PolarHBondContact O-N 2.67Å; L240-T242 VanDerWaalsContact O-N 3.13Å
243	G	94.9	Very high	95	Very high	40 Å²	40	45.4 Å²	45.4	41%	0.412	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-96.6	-5.3	177.3	0	0	0	0	0	114.4	N220 L240 L241	N220-G243 WeakPolarHBondContact CA-O 3.39Å; N220-G243 WeakPolarHBondContact CB-O 3.31Å; L240-G243 PolarHBondContact O-N 3.21Å; L241-G243 PolarHBondContact O-N 3.15Å
244	I	97.3	Very high	94.7	Very high	9 Å²	9	45.4 Å²	45.4	5%	0.046	24%	0.244	C	C	.	.			trans	-94.2	120.4	-176.5	-67	170.4	0	0	0	109.4	P219 N220 V222 L233 L241 G246 V269	P219-I244 HydrophobicContact CG-CD1 4.3Å; N220-I244 CarbonylContact O-C 3.57Å; N220-I244 WeakPolarHBondContact O-CA 3.44Å; V222-I244 HydrophobicContact CG2-CD1 4.01Å; V222-I244 HydrophobicContact CG2-CG2 4.11Å; L233-I244 HydrophobicContact CD1-CD1 4.01Å; L233-I244 HydrophobicContact CD2-CD1 4.31Å; L241-I244 HydrophobicContact CD2-CD1 4.38Å; L241-I244 PolarHBondContact O-N 3.38Å; L241-I244 VanDerWaalsContact O-N 3.13Å; I244-G246 VanDerWaalsContact C-N 3.31Å; I244-G246 WeakPolarHBondContact CG2-O 2.84Å; I244-G246 PolarHBondContact O-N 3.42Å; I244-V269 HydrophobicContact CB-CG1 4.18Å; I244-V269 HydrophobicContact CG2-CG1 4.29Å; I244-V269 HydrophobicContact CG2-CG2 4.31Å; I244-V269 VanDerWaalsContact O-CG1 3.29Å; I244-V269 WeakPolarHBondContact O-CG1 3.33Å
245	C	96.8	Very high	94.5	Very high	46 Å²	46	45.2 Å²	45.2	31%	0.311	24%	0.244	S	C	.	.			trans	-77.5	-16.2	-179.4	72.7	0	0	0	0	113.3	N220 P270	N220-C245 PolarHBondContact O-N 2.9Å; N220-C245 PolarHBondContact O-SG 2.86Å; C245-P270 WeakPolarHBondContact O-CG 3.25Å
246	G	97.8	Very high	94.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.			trans	165.9	176	169.9	0	0	0	0	0	114.8	V222 I244 P270	V222-G246 PolarHBondContact N-O 3.15Å; I244-G246 VanDerWaalsContact C-N 3.31Å; I244-G246 WeakPolarHBondContact CG2-O 2.84Å; I244-G246 PolarHBondContact O-N 3.42Å; G246-P270 CarbonylContact C-O 3.52Å; G246-P270 WeakPolarHBondContact CA-O 3.17Å
247	I	98.5	Very high	94	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.3	-179.7	-64.8	160	0	0	0	109.4	V222 T230 V269 P270 A271 M272 L465	V222-I247 HydrophobicContact CB-CB 4.4Å; V222-I247 HydrophobicContact CB-CG1 3.9Å; V222-I247 HydrophobicContact CB-CG2 4.48Å; V222-I247 HydrophobicContact CG1-CG1 4.22Å; V222-I247 HydrophobicContact CG1-CG2 4.19Å; V222-I247 HydrophobicContact CG2-CG1 4.38Å; T230-I247 HydrophobicContact CG2-CD1 3.71Å; I247-V269 HydrophobicContact CD1-CG2 3.39Å; I247-V269 HydrophobicContact CG1-CG2 3.7Å; I247-P270 PolarHBondContact N-O 3.3Å; I247-A271 HydrophobicContact CB-CB 4.17Å; I247-A271 CarbonylContact O-C 3.56Å; I247-A271 WeakPolarHBondContact O-CA 3.45Å; I247-M272 PolarHBondContact O-N 3.32Å; I247-L465 WeakPolarHBondContact O-CD1 2.9Å
248	V	98.5	Very high	94	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.7	168.1	179.2	0	0	0	0	107.8	V222 L223 D224 I274 A461 L462 L465	V222-V248 PolarHBondContact O-N 3.3Å; L223-V248 HydrophobicContact CD1-CB 3.66Å; L223-V248 HydrophobicContact CD1-CG1 3.49Å; L223-V248 VanDerWaalsContact CD1-CG1 3.49Å; D224-V248 PolarHBondContact N-O 2.85Å; V248-I274 HydrophobicContact CG1-CD1 3.87Å; V248-I274 HydrophobicContact CG1-CG1 3.32Å; V248-A461 HydrophobicContact CG1-CB 3.84Å; V248-A461 HydrophobicContact CG2-CB 3.82Å; V248-L462 HydrophobicContact CB-CD2 4.23Å; V248-L462 HydrophobicContact CB-CG 4.44Å; V248-L462 HydrophobicContact CG2-CD2 3.7Å; V248-L462 HydrophobicContact CG2-CG 3.88Å; V248-L465 HydrophobicContact CG2-CD1 3.66Å
249	E	97.5	Very high	94	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.7	-178.5	172.4	62.9	-131.6	0	0	111.4	D224 G226 G227 S251 G254 V255 L258 M272 I274	D224-E249 WeakPolarHBondContact O-CA 3.47Å; G226-E249 PolarHBondContact N-OE1 3.42Å; G227-E249 WeakPolarHBondContact CA-OE2 3.45Å; G227-E249 PolarHBondContact N-OE2 2.97Å; G227-E249 VanDerWaalsContact N-OE2 3.12Å; E249-S251 WeakPolarHBondContact OE1-CA 3.3Å; E249-S251 VanDerWaalsContact OE1-CB 3.3Å; E249-S251 WeakPolarHBondContact OE1-CB 3.46Å; E249-S251 PolarHBondContact OE1-N 2.92Å; E249-S251 PolarHBondContact OE1-OG 3.37Å; E249-G254 VanDerWaalsContact CD-CA 3.46Å; E249-V255 HydrophobicContact CB-CG2 4.34Å; E249-V255 HydrophobicContact CG-CG2 3.76Å; E249-L258 HydrophobicContact CB-CD1 3.62Å; E249-L258 HydrophobicContact CG-CD1 4.06Å; E249-M272 PolarHBondContact N-O 2.66Å; E249-I274 WeakPolarHBondContact O-CB 3.38Å; E249-I274 PolarHBondContact O-N 3.38Å
250	E	92.4	Very high	93.9	Very high	29 Å²	29	38.4 Å²	38.4	14%	0.136	21%	0.209	C	C	.	.			trans	-86.4	-34	-176.2	175.6	167.6	-158.2	0	0	114.1	D224 D225 S275 K280 Q458	D224-E250 PolarHBondContact O-N 3.47Å; D225-E250 HydrophobicContact CB-CB 4.41Å; E250-S275 WeakPolarHBondContact O-CA 3.41Å; E250-S275 VanDerWaalsContact O-CB 3.31Å; E250-S275 WeakPolarHBondContact O-CB 3.26Å; E250-K280 WeakPolarHBondContact O-CE 3.23Å; E250-Q458 PolarHBondContact OE1-NE2 3.32Å; E250-Q458 VanDerWaalsContact OE1-NE2 3.08Å; E250-Q458 PolarHBondContact OE2-NE2 2.79Å
251	S	87.6	Confident	94	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.028	21%	0.208	C	C	.	.	S	Bend	trans	-98.1	152.1	-165.2	78.2	0	0	0	0	113.5	D225 G226 E249 T253 G254 V255	D225-S251 WeakPolarHBondContact OD1-CB 3.42Å; G226-S251 VanDerWaalsContact CA-OG 3.23Å; G226-S251 WeakPolarHBondContact CA-OG 3.3Å; G226-S251 PolarHBondContact N-OG 2.79Å; E249-S251 WeakPolarHBondContact OE1-CA 3.3Å; E249-S251 VanDerWaalsContact OE1-CB 3.3Å; E249-S251 WeakPolarHBondContact OE1-CB 3.46Å; E249-S251 PolarHBondContact OE1-N 2.92Å; E249-S251 PolarHBondContact OE1-OG 3.37Å; S251-T253 VanDerWaalsContact C-N 3.27Å; S251-T253 PolarHBondContact O-N 3.31Å; S251-G254 PolarHBondContact O-N 2.9Å; S251-G254 PolarHBondContact OG-N 2.98Å; S251-V255 WeakPolarHBondContact O-CB 3.21Å; S251-V255 VanDerWaalsContact O-CG2 3.24Å; S251-V255 WeakPolarHBondContact O-CG2 3.37Å; S251-V255 PolarHBondContact O-N 3.41Å
252	V	85	Confident	94	Very high	76 Å²	76	40 Å²	40	46%	0.461	22%	0.217	S	C	.	.	H	α-helix	trans	-61.5	-38.8	173.1	177.7	0	0	0	0	110.7	H256 S275	V252-H256 WeakPolarHBondContact O-CB 3.43Å; V252-H256 PolarHBondContact O-N 3.24Å; V252-S275 WeakPolarHBondContact CG2-OG 3.49Å
253	T	83.9	Confident	94.1	Very high	53 Å²	53	42.9 Å²	42.9	33%	0.325	22%	0.218	S	C	.	.	H	α-helix	trans	-65.8	-47.1	179.8	-65.2	0	0	0	0	111.8	S251 H256 R257 H395	S251-T253 VanDerWaalsContact C-N 3.27Å; S251-T253 PolarHBondContact O-N 3.31Å; T253-H256 WeakPolarHBondContact O-CB 3.24Å; T253-H256 PolarHBondContact O-N 3.3Å; T253-R257 WeakPolarHBondContact O-CG 3.32Å; T253-R257 PolarHBondContact O-N 3.27Å; T253-H395 VanDerWaalsContact CB-NE2 3.26Å; T253-H395 WeakPolarHBondContact CB-NE2 3.36Å; T253-H395 PolarHBondContact N-CD2 3.08Å; T253-H395 PolarHBondContact N-NE2 3.07Å; T253-H395 PolarHBondContact OG1-CD2 3.33Å; T253-H395 PolarHBondContact OG1-NE2 3.44Å
254	G	90.8	Very high	94.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.8	-39.6	178.9	0	0	0	0	0	111.6	E249 S251 H256 R257 L258	E249-G254 VanDerWaalsContact CD-CA 3.46Å; S251-G254 PolarHBondContact O-N 2.9Å; S251-G254 PolarHBondContact OG-N 2.98Å; G254-H256 VanDerWaalsContact C-N 3.32Å; G254-H256 PolarHBondContact O-N 2.74Å; G254-R257 WeakPolarHBondContact O-CB 3.45Å; G254-R257 PolarHBondContact O-N 3.25Å; G254-R257 VanDerWaalsContact O-N 3.12Å; G254-L258 WeakPolarHBondContact O-CG 3.43Å; G254-L258 PolarHBondContact O-N 3.39Å
255	V	93.4	Very high	94.1	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-42.2	173	168.5	0	0	0	0	111.3	E249 S251 R257 L258 Y259 N273	E249-V255 HydrophobicContact CB-CG2 4.34Å; E249-V255 HydrophobicContact CG-CG2 3.76Å; S251-V255 WeakPolarHBondContact O-CB 3.21Å; S251-V255 VanDerWaalsContact O-CG2 3.24Å; S251-V255 WeakPolarHBondContact O-CG2 3.37Å; S251-V255 PolarHBondContact O-N 3.41Å; V255-R257 VanDerWaalsContact C-N 3.31Å; V255-R257 PolarHBondContact O-N 3.09Å; V255-L258 WeakPolarHBondContact O-CB 3.2Å; V255-L258 PolarHBondContact O-N 3.34Å; V255-Y259 HydrophobicContact CG1-CD2 3.76Å; V255-Y259 HydrophobicContact CG1-CE2 3.35Å; V255-Y259 VanDerWaalsContact O-CD2 3.25Å; V255-Y259 WeakPolarHBondContact O-CD2 3.42Å; V255-Y259 PolarHBondContact O-N 2.83Å; V255-N273 HydrophobicContact CG1-CB 4.3Å; V255-N273 WeakPolarHBondContact CG1-ND2 3.17Å; V255-N273 HydrophobicContact CG2-CB 3.94Å; V255-N273 WeakPolarHBondContact CG2-OD1 3.31Å
256	H	90.2	Very high	94.1	Very high	113 Å²	113	48.9 Å²	48.9	52%	0.523	26%	0.262	S	S	.	.	H	α-helix	trans	-60	-42.1	175.3	-174.5	77.7	0	0	0	111.8	V252 T253 G254 Y259 Q260	V252-H256 WeakPolarHBondContact O-CB 3.43Å; V252-H256 PolarHBondContact O-N 3.24Å; T253-H256 WeakPolarHBondContact O-CB 3.24Å; T253-H256 PolarHBondContact O-N 3.3Å; G254-H256 VanDerWaalsContact C-N 3.32Å; G254-H256 PolarHBondContact O-N 2.74Å; H256-Y259 PolarHBondContact O-N 3.14Å; H256-Q260 PolarHBondContact CD2-NE2 2.81Å; H256-Q260 PolarHBondContact NE2-NE2 3.26Å; H256-Q260 WeakPolarHBondContact O-CG 3.15Å; H256-Q260 PolarHBondContact O-N 2.88Å; H256-Q260 VanDerWaalsContact O-N 3.12Å
257	R	92.9	Very high	94.1	Very high	77 Å²	77	49.3 Å²	49.3	29%	0.291	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-42	174.2	-67.4	172.1	176.2	-169.2	1.5	111.7	G226 G227 D228 T253 G254 V255 Y259 Q260 Y261	G226-R257 PolarHBondContact O-NH1 3.3Å; G226-R257 VanDerWaalsContact O-NH1 3.07Å; G227-R257 PolarHBondContact O-NH1 2.69Å; D228-R257 IonicContact OD1-CZ 2.74Å; D228-R257 IonicContact OD1-NH1 3.92Å; D228-R257 PolarHBondContact OD1-NH1 3.14Å; D228-R257 IonicContact OD1-NH2 3.16Å; D228-R257 PolarHBondContact OD1-NH2 3Å; T253-R257 WeakPolarHBondContact O-CG 3.32Å; T253-R257 PolarHBondContact O-N 3.27Å; G254-R257 WeakPolarHBondContact O-CB 3.45Å; G254-R257 PolarHBondContact O-N 3.25Å; G254-R257 VanDerWaalsContact O-N 3.12Å; V255-R257 VanDerWaalsContact C-N 3.31Å; V255-R257 PolarHBondContact O-N 3.09Å; R257-Y259 VanDerWaalsContact C-N 3.34Å; R257-Y259 PolarHBondContact O-N 3.09Å; R257-Q260 WeakPolarHBondContact O-CB 3.43Å; R257-Q260 PolarHBondContact O-N 3.18Å; R257-Y261 WeakPolarHBondContact O-CD2 3.4Å; R257-Y261 PolarHBondContact O-N 2.84Å
258	L	97.3	Very high	93.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-57.8	-45	174.8	-70.6	172.1	0	0	0	111.8	T230 E249 G254 V255 Q260 Y261 V262 L267 A271 V477	T230-L258 HydrophobicContact CG2-CD2 3.97Å; E249-L258 HydrophobicContact CB-CD1 3.62Å; E249-L258 HydrophobicContact CG-CD1 4.06Å; G254-L258 WeakPolarHBondContact O-CG 3.43Å; G254-L258 PolarHBondContact O-N 3.39Å; V255-L258 WeakPolarHBondContact O-CB 3.2Å; V255-L258 PolarHBondContact O-N 3.34Å; L258-Q260 VanDerWaalsContact C-N 3.27Å; L258-Q260 PolarHBondContact O-N 2.77Å; L258-Y261 WeakPolarHBondContact O-CB 3.39Å; L258-Y261 PolarHBondContact O-N 2.98Å; L258-Y261 VanDerWaalsContact O-N 3.1Å; L258-V262 PolarHBondContact O-N 3.12Å; L258-L267 HydrophobicContact CD2-CD1 3.88Å; L258-A271 HydrophobicContact CD1-CB 3.68Å; L258-A271 HydrophobicContact CD2-CB 3.91Å; L258-A271 HydrophobicContact CG-CB 4.37Å; L258-V477 HydrophobicContact CB-CG2 3.69Å
259	Y	95.8	Very high	93.9	Very high	68 Å²	68	50.9 Å²	50.9	27%	0.267	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-30.5	175.1	-72.7	-56.8	0	0	0	113.3	I20 V255 H256 R257 V262 K263 V477	I20-Y259 WeakPolarHBondContact CD1-OH 3.32Å; V255-Y259 HydrophobicContact CG1-CD2 3.76Å; V255-Y259 HydrophobicContact CG1-CE2 3.35Å; V255-Y259 VanDerWaalsContact O-CD2 3.25Å; V255-Y259 WeakPolarHBondContact O-CD2 3.42Å; V255-Y259 PolarHBondContact O-N 2.83Å; H256-Y259 PolarHBondContact O-N 3.14Å; R257-Y259 VanDerWaalsContact C-N 3.34Å; R257-Y259 PolarHBondContact O-N 3.09Å; Y259-V262 PolarHBondContact O-N 3.25Å; Y259-K263 WeakPolarHBondContact O-CB 3.36Å; Y259-K263 PolarHBondContact O-N 2.91Å; Y259-V477 HydrophobicContact CD1-CB 4.19Å; Y259-V477 HydrophobicContact CD1-CG2 4.12Å; Y259-V477 HydrophobicContact CE1-CB 3.71Å; Y259-V477 HydrophobicContact CE1-CG1 3.93Å; Y259-V477 HydrophobicContact CE1-CG2 4.14Å
260	Q	95	Very high	93.9	Very high	102 Å²	102	51.5 Å²	51.5	48%	0.477	28%	0.284	S	S	.	.	H	α-helix	trans	-66.2	-39.6	171.7	-66	173.7	-5.3	0	0	111.7	H256 R257 L258 K263 S264	H256-Q260 PolarHBondContact CD2-NE2 2.81Å; H256-Q260 PolarHBondContact NE2-NE2 3.26Å; H256-Q260 WeakPolarHBondContact O-CG 3.15Å; H256-Q260 PolarHBondContact O-N 2.88Å; H256-Q260 VanDerWaalsContact O-N 3.12Å; R257-Q260 WeakPolarHBondContact O-CB 3.43Å; R257-Q260 PolarHBondContact O-N 3.18Å; L258-Q260 VanDerWaalsContact C-N 3.27Å; L258-Q260 PolarHBondContact O-N 2.77Å; Q260-K263 PolarHBondContact O-N 3.46Å; Q260-S264 WeakPolarHBondContact O-CB 3.3Å; Q260-S264 PolarHBondContact O-N 3.06Å; Q260-S264 PolarHBondContact O-OG 3.31Å
261	Y	96.7	Very high	94.2	Very high	37 Å²	37	50.1 Å²	50.1	15%	0.145	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-42.3	172.4	-74.2	-72.5	0	0	0	112.1	H231 H234 R257 L258 S264 G265 T266 L267	H231-Y261 PolarHBondContact ND1-OH 2.94Å; H234-Y261 HydrophobicContact CB-CE1 3.83Å; R257-Y261 WeakPolarHBondContact O-CD2 3.4Å; R257-Y261 PolarHBondContact O-N 2.84Å; L258-Y261 WeakPolarHBondContact O-CB 3.39Å; L258-Y261 PolarHBondContact O-N 2.98Å; L258-Y261 VanDerWaalsContact O-N 3.1Å; Y261-S264 WeakPolarHBondContact CA-OG 3.39Å; Y261-S264 PolarHBondContact O-N 2.96Å; Y261-S264 PolarHBondContact O-OG 3.29Å; Y261-S264 VanDerWaalsContact O-OG 3.07Å; Y261-G265 PolarHBondContact O-N 3.2Å; Y261-T266 WeakPolarHBondContact CD1-OG1 3.14Å; Y261-T266 PolarHBondContact O-N 3.41Å; Y261-L267 PolarHBondContact O-N 3Å
262	V	96.9	Very high	94.6	Very high	43 Å²	43	50 Å²	50	26%	0.261	28%	0.277	S	S	.	.	H	α-helix	trans	-61.3	-49.5	174.7	175	0	0	0	0	110.9	L258 Y259 S264 G265 L267 V477	L258-V262 PolarHBondContact O-N 3.12Å; Y259-V262 PolarHBondContact O-N 3.25Å; V262-S264 VanDerWaalsContact C-N 3.26Å; V262-S264 PolarHBondContact O-N 3.4Å; V262-G265 PolarHBondContact O-N 2.65Å; V262-L267 HydrophobicContact CG2-CB 4.33Å; V262-L267 HydrophobicContact CG2-CD2 3.57Å; V262-V477 HydrophobicContact CG2-CG2 3.92Å
263	K	96.5	Very high	95.2	Very high	196 Å²	196	46.3 Å²	46.3	85%	0.852	26%	0.255	S	S	*	.	H	α-helix	trans	-61.3	-34.2	-178.7	-173.7	-180	179.4	-178.2	0	112.8	Y259 Q260 G265	Y259-K263 WeakPolarHBondContact O-CB 3.36Å; Y259-K263 PolarHBondContact O-N 2.91Å; Q260-K263 PolarHBondContact O-N 3.46Å; K263-G265 VanDerWaalsContact C-N 3.35Å
264	S	96.6	Very high	95.7	Very high	72 Å²	72	43.8 Å²	43.8	50%	0.503	24%	0.239	S	C	.	.	H	α-helix	trans	-85.2	-6.2	176.2	58.3	0	0	0	0	113.7	Q260 Y261 V262 T266	Q260-S264 WeakPolarHBondContact O-CB 3.3Å; Q260-S264 PolarHBondContact O-N 3.06Å; Q260-S264 PolarHBondContact O-OG 3.31Å; Y261-S264 WeakPolarHBondContact CA-OG 3.39Å; Y261-S264 PolarHBondContact O-N 2.96Å; Y261-S264 PolarHBondContact O-OG 3.29Å; Y261-S264 VanDerWaalsContact O-OG 3.07Å; V262-S264 VanDerWaalsContact C-N 3.26Å; V262-S264 PolarHBondContact O-N 3.4Å; S264-T266 VanDerWaalsContact C-N 3.27Å; S264-T266 PolarHBondContact O-N 2.78Å; S264-T266 PolarHBondContact OG-OG1 3.48Å
265	G	96.1	Very high	95.5	Very high	69 Å²	69	43.8 Å²	43.8	71%	0.711	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.3	21.7	-176.5	0	0	0	0	0	114.1	Y261 V262 K263	Y261-G265 PolarHBondContact O-N 3.2Å; V262-G265 PolarHBondContact O-N 2.65Å; K263-G265 VanDerWaalsContact C-N 3.35Å
266	T	96.5	Very high	95.4	Very high	79 Å²	79	47.2 Å²	47.2	49%	0.485	26%	0.257	S	S	.	.			trans	-109.8	1.5	-174.3	58.7	0	0	0	0	114	Y261 S264 G268	Y261-T266 WeakPolarHBondContact CD1-OG1 3.14Å; Y261-T266 PolarHBondContact O-N 3.41Å; S264-T266 VanDerWaalsContact C-N 3.27Å; S264-T266 PolarHBondContact O-N 2.78Å; S264-T266 PolarHBondContact OG-OG1 3.48Å; T266-G268 PolarHBondContact O-N 3.41Å
267	L	97.5	Very high	95.5	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.047	23%	0.233	C	C	.	.			trans	-65	119.1	173.1	-173.8	63.7	0	0	0	109.8	L258 Y261 V262 V269 N475	L258-L267 HydrophobicContact CD2-CD1 3.88Å; Y261-L267 PolarHBondContact O-N 3Å; V262-L267 HydrophobicContact CG2-CB 4.33Å; V262-L267 HydrophobicContact CG2-CD2 3.57Å; L267-V269 WeakPolarHBondContact CD2-O 3.25Å; L267-V269 VanDerWaalsContact CG-O 3.24Å; L267-V269 WeakPolarHBondContact CG-O 3.5Å; L267-N475 WeakPolarHBondContact O-CB 3.32Å; L267-N475 PolarHBondContact O-ND2 2.89Å; L267-N475 VanDerWaalsContact O-ND2 3.1Å
268	G	95.8	Very high	95.5	Very high	29 Å²	29	40.6 Å²	40.6	30%	0.299	23%	0.231	S	C	.	.			trans	-84.2	-22.1	-172.7	0	0	0	0	0	115.1	H234 T266 N475	H234-G268 PolarHBondContact NE2-N 3.2Å; T266-G268 PolarHBondContact O-N 3.41Å; G268-N475 PolarHBondContact O-ND2 3.41Å
269	V	97.1	Very high	95.2	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.024	23%	0.232	C	C	.	.	S	Bend	trans	-144.7	156.2	-173.8	-63.3	0	0	0	0	110.6	L241 I244 I247 L267	L241-V269 HydrophobicContact CB-CG1 4.15Å; L241-V269 HydrophobicContact CD2-CG1 4.35Å; L241-V269 HydrophobicContact CD2-CG2 4.47Å; L241-V269 WeakPolarHBondContact O-CG1 3.08Å; I244-V269 HydrophobicContact CB-CG1 4.18Å; I244-V269 HydrophobicContact CG2-CG1 4.29Å; I244-V269 HydrophobicContact CG2-CG2 4.31Å; I244-V269 VanDerWaalsContact O-CG1 3.29Å; I244-V269 WeakPolarHBondContact O-CG1 3.33Å; I247-V269 HydrophobicContact CD1-CG2 3.39Å; I247-V269 HydrophobicContact CG1-CG2 3.7Å; L267-V269 WeakPolarHBondContact CD2-O 3.25Å; L267-V269 VanDerWaalsContact CG-O 3.24Å; L267-V269 WeakPolarHBondContact CG-O 3.5Å
270	P	97.9	Very high	95	Very high	14 Å²	14	38 Å²	38	9%	0.091	22%	0.222	C	C	.	.			trans	-59.1	148.2	172.5	26.1	-36.6	0	0	0	111.7	C245 G246 I247 L465 K474	C245-P270 WeakPolarHBondContact O-CG 3.25Å; G246-P270 CarbonylContact C-O 3.52Å; G246-P270 WeakPolarHBondContact CA-O 3.17Å; I247-P270 PolarHBondContact N-O 3.3Å; P270-L465 HydrophobicContact CB-CD2 4.42Å; P270-L465 HydrophobicContact CG-CD2 4.49Å; P270-K474 WeakPolarHBondContact CA-O 3.48Å; P270-K474 VanDerWaalsContact CB-O 3.28Å; P270-K474 WeakPolarHBondContact CB-O 3.45Å
271	A	98.3	Very high	94.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.2	175.3	0	0	0	0	0	112.6	I247 L258 D476 V477 Y478	I247-A271 HydrophobicContact CB-CB 4.17Å; I247-A271 CarbonylContact O-C 3.56Å; I247-A271 WeakPolarHBondContact O-CA 3.45Å; L258-A271 HydrophobicContact CD1-CB 3.68Å; L258-A271 HydrophobicContact CD2-CB 3.91Å; L258-A271 HydrophobicContact CG-CB 4.37Å; A271-D476 PolarHBondContact N-O 3.11Å; A271-V477 HydrophobicContact CB-CG2 4.42Å; A271-V477 WeakPolarHBondContact O-CA 3.39Å; A271-Y478 PolarHBondContact O-N 3.07Å
272	M	97.5	Very high	94.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.2	170.2	-74.9	-168	-173.6	0	0	110.9	I247 E249 I274 A461 E464 L465 Y473 Y478 L480	I247-M272 PolarHBondContact O-N 3.32Å; E249-M272 PolarHBondContact N-O 2.66Å; M272-I274 HydrophobicContact CB-CD1 4.19Å; M272-I274 PolarHBondContact O-N 2.97Å; M272-A461 HydrophobicContact CB-CB 4.36Å; M272-A461 HydrophobicContact SD-CB 3.66Å; M272-E464 HydrophobicContact CE-CB 3.81Å; M272-E464 HydrophobicContact CE-CG 3.27Å; M272-E464 HydrophobicContact SD-CB 4.4Å; M272-E464 HydrophobicContact SD-CG 4.35Å; M272-L465 HydrophobicContact CB-CD1 4.23Å; M272-L465 HydrophobicContact CE-CD1 4.5Å; M272-L465 HydrophobicContact CE-CD2 3.5Å; M272-L465 VanDerWaalsContact CE-CD2 3.5Å; M272-L465 HydrophobicContact CE-CG 3.5Å; M272-L465 HydrophobicContact CG-CD1 3.88Å; M272-L465 HydrophobicContact CG-CD2 3.96Å; M272-L465 HydrophobicContact CG-CG 3.85Å; M272-L465 HydrophobicContact SD-CD1 4.28Å; M272-L465 HydrophobicContact SD-CD2 4.29Å; M272-L465 HydrophobicContact SD-CG 3.82Å; M272-Y473 HydrophobicContact CE-CE1 4.22Å; M272-Y473 HydrophobicContact CE-CE2 3.93Å; M272-Y478 WeakPolarHBondContact CA-O 3.48Å; M272-L480 HydrophobicContact SD-CD1 4.26Å
273	N	96.2	Very high	94.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	105	172.2	170.1	0.9	0	0	0	109	V255 S275 D276 V477 Y478 L479	V255-N273 HydrophobicContact CG1-CB 4.3Å; V255-N273 WeakPolarHBondContact CG1-ND2 3.17Å; V255-N273 HydrophobicContact CG2-CB 3.94Å; V255-N273 WeakPolarHBondContact CG2-OD1 3.31Å; N273-S275 WeakPolarHBondContact OD1-CB 3.24Å; N273-S275 PolarHBondContact OD1-N 2.77Å; N273-D276 WeakPolarHBondContact ND2-CB 3.45Å; N273-D276 VanDerWaalsContact ND2-CG 3.29Å; N273-D276 PolarHBondContact ND2-OD2 2.76Å; N273-D276 PolarHBondContact OD1-N 3.27Å; N273-V477 HydrophobicContact CB-CG1 3.69Å; N273-Y478 PolarHBondContact N-O 3.49Å; N273-L479 HydrophobicContact CB-CD2 4.31Å
274	I	93.8	Very high	93.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.174	C	C	.	.			trans	-87.5	-27.9	176.3	-52.7	-52.7	0	0	0	111.2	V248 E249 M272 D276 S277 K280 T457 Q458 A461	V248-I274 HydrophobicContact CG1-CD1 3.87Å; V248-I274 HydrophobicContact CG1-CG1 3.32Å; E249-I274 WeakPolarHBondContact O-CB 3.38Å; E249-I274 PolarHBondContact O-N 3.38Å; M272-I274 HydrophobicContact CB-CD1 4.19Å; M272-I274 PolarHBondContact O-N 2.97Å; I274-D276 PolarHBondContact O-N 3.38Å; I274-D276 VanDerWaalsContact O-N 3.16Å; I274-S277 VanDerWaalsContact O-CB 3.26Å; I274-S277 WeakPolarHBondContact O-CB 3.24Å; I274-S277 PolarHBondContact O-N 3.32Å; I274-K280 HydrophobicContact CG2-CB 4.31Å; I274-K280 HydrophobicContact CG2-CG 4.19Å; I274-K280 WeakPolarHBondContact O-CB 3.4Å; I274-K280 WeakPolarHBondContact O-CG 3.45Å; I274-T457 HydrophobicContact CD1-CG2 4.5Å; I274-T457 HydrophobicContact CG2-CG2 3.73Å; I274-Q458 HydrophobicContact CG2-CG 4.11Å; I274-A461 HydrophobicContact CD1-CB 3.33Å; I274-A461 HydrophobicContact CG1-CB 4.3Å
275	S	88.6	Confident	93.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-42.5	175.6	179.7	0	0	0	0	112	E250 V252 N273 S281	E250-S275 WeakPolarHBondContact O-CA 3.41Å; E250-S275 VanDerWaalsContact O-CB 3.31Å; E250-S275 WeakPolarHBondContact O-CB 3.26Å; V252-S275 WeakPolarHBondContact CG2-OG 3.49Å; N273-S275 WeakPolarHBondContact OD1-CB 3.24Å; N273-S275 PolarHBondContact OD1-N 2.77Å; S275-S281 WeakPolarHBondContact O-CB 3.42Å
276	D	90.9	Very high	93.2	Very high	78 Å²	78	23.6 Å²	23.6	42%	0.417	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	3.6	-178.8	-66.6	-17.3	0	0	0	113.8	N273 I274 L479	N273-D276 WeakPolarHBondContact ND2-CB 3.45Å; N273-D276 VanDerWaalsContact ND2-CG 3.29Å; N273-D276 PolarHBondContact ND2-OD2 2.76Å; N273-D276 PolarHBondContact OD1-N 3.27Å; I274-D276 PolarHBondContact O-N 3.38Å; I274-D276 VanDerWaalsContact O-N 3.16Å; D276-L479 HydrophobicContact CB-CD2 3.65Å
277	S	91.8	Very high	93.1	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.014	13%	0.127	C	C	.	.	S	Bend	trans	-61.4	147.1	166.4	-70.1	0	0	0	0	110.2	I274 T279 K280 S281	I274-S277 VanDerWaalsContact O-CB 3.26Å; I274-S277 WeakPolarHBondContact O-CB 3.24Å; I274-S277 PolarHBondContact O-N 3.32Å; S277-T279 PolarHBondContact O-N 2.88Å; S277-K280 PolarHBondContact O-N 3.24Å; S277-K280 VanDerWaalsContact O-N 3.14Å; S277-S281 PolarHBondContact O-N 3.47Å; S277-S281 PolarHBondContact O-OG 3.03Å; S277-S281 VanDerWaalsContact O-OG 3.1Å
278	I	92.4	Very high	92.9	Very high	49 Å²	49	24.8 Å²	24.8	25%	0.251	13%	0.126	S	C	.	.	H	α-helix	trans	-60.7	-52	-176.4	-63.5	-58.7	0	0	0	109.7	K280 K282 D485 Y526	I278-K280 PolarHBondContact O-N 2.96Å; I278-K282 PolarHBondContact O-N 3.19Å; I278-D485 WeakPolarHBondContact CB-OD2 3.47Å; I278-D485 WeakPolarHBondContact CG1-OD2 3.39Å; I278-D485 PolarHBondContact N-OD2 3.31Å; I278-Y526 VanDerWaalsContact CA-OH 3.28Å; I278-Y526 WeakPolarHBondContact CA-OH 3.17Å; I278-Y526 HydrophobicContact CB-CD1 3.82Å; I278-Y526 HydrophobicContact CB-CE1 3.25Å; I278-Y526 HydrophobicContact CD1-CD1 3.66Å; I278-Y526 HydrophobicContact CD1-CD2 4.07Å; I278-Y526 HydrophobicContact CD1-CE1 3.2Å; I278-Y526 HydrophobicContact CD1-CE2 3.6Å; I278-Y526 HydrophobicContact CD1-CG 4.04Å; I278-Y526 WeakPolarHBondContact CD1-OH 3.44Å; I278-Y526 HydrophobicContact CG1-CD1 4.12Å; I278-Y526 HydrophobicContact CG1-CE1 3.69Å; I278-Y526 HydrophobicContact CG2-CD1 3.07Å; I278-Y526 HydrophobicContact CG2-CE1 3.01Å; I278-Y526 HydrophobicContact CG2-CG 4.27Å; I278-Y526 VanDerWaalsContact O-CE1 3.31Å; I278-Y526 WeakPolarHBondContact O-CE1 3.43Å
279	T	91.8	Very high	92.7	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.018	11%	0.113	C	C	.	.	H	α-helix	trans	-66.2	-18.7	179	51.1	0	0	0	0	114.1	S277 F283 V453 T457 D485 V488 A489	S277-T279 PolarHBondContact O-N 2.88Å; T279-F283 WeakPolarHBondContact O-CB 3.28Å; T279-F283 WeakPolarHBondContact O-CD2 3.3Å; T279-V453 VanDerWaalsContact CB-CG1 3.5Å; T279-V453 HydrophobicContact CG2-CG1 4.17Å; T279-V453 WeakPolarHBondContact O-CG1 3.32Å; T279-T457 PolarHBondContact OG1-OG1 3.09Å; T279-D485 WeakPolarHBondContact CB-OD1 3.29Å; T279-D485 WeakPolarHBondContact CG2-O 3.21Å; T279-D485 WeakPolarHBondContact CG2-OD1 3.2Å; T279-D485 PolarHBondContact N-OD1 2.74Å; T279-D485 PolarHBondContact OG1-OD1 3.32Å; T279-V488 HydrophobicContact CG2-CB 4.05Å; T279-V488 HydrophobicContact CG2-CG1 3.97Å; T279-A489 HydrophobicContact CG2-CB 4.28Å
280	K	90.3	Very high	92.6	Very high	13 Å²	13	26.3 Å²	26.3	6%	0.057	13%	0.125	C	C	.	.	H	α-helix	trans	-85.7	-64.8	173.6	-162.6	-68	-168.3	-162.4	0	110.3	E250 I274 S277 I278 K282 F283 D284 N285	E250-K280 WeakPolarHBondContact O-CE 3.23Å; I274-K280 HydrophobicContact CG2-CB 4.31Å; I274-K280 HydrophobicContact CG2-CG 4.19Å; I274-K280 WeakPolarHBondContact O-CB 3.4Å; I274-K280 WeakPolarHBondContact O-CG 3.45Å; S277-K280 PolarHBondContact O-N 3.24Å; S277-K280 VanDerWaalsContact O-N 3.14Å; I278-K280 PolarHBondContact O-N 2.96Å; K280-K282 PolarHBondContact O-N 2.93Å; K280-F283 PolarHBondContact O-N 3.5Å; K280-F283 VanDerWaalsContact O-N 3.08Å; K280-D284 HydrophobicContact CD-CB 3.93Å; K280-D284 WeakPolarHBondContact CE-OD2 3.36Å; K280-D284 IonicContact NZ-OD2 2.79Å; K280-D284 PolarHBondContact NZ-OD2 2.76Å; K280-D284 VanDerWaalsContact O-CB 3.31Å; K280-D284 WeakPolarHBondContact O-CB 3.48Å; K280-D284 PolarHBondContact O-N 3.48Å; K280-N285 PolarHBondContact NZ-OD1 2.75Å; K280-N285 VanDerWaalsContact NZ-OD1 3.08Å
281	S	88	Confident	92.4	Very high	13 Å²	13	31.2 Å²	31.2	9%	0.091	15%	0.147	C	C	.	.	H	α-helix	trans	-66.8	-30.4	-169.5	54.9	0	0	0	0	114.3	S275 S277 N285 Y526	S275-S281 WeakPolarHBondContact O-CB 3.42Å; S277-S281 PolarHBondContact O-N 3.47Å; S277-S281 PolarHBondContact O-OG 3.03Å; S277-S281 VanDerWaalsContact O-OG 3.1Å; S281-N285 VanDerWaalsContact O-CB 3.25Å; S281-N285 WeakPolarHBondContact O-CB 3.38Å; S281-N285 PolarHBondContact O-N 3.08Å; S281-Y526 PolarHBondContact OG-OH 3.24Å
282	K	91.5	Very high	92.2	Very high	54 Å²	54	31.2 Å²	31.2	24%	0.235	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-11.1	174	-70.9	-64	-178.2	176.8	0	115.1	I278 K280 F286 Y287 E317 Y526	I278-K282 PolarHBondContact O-N 3.19Å; K280-K282 PolarHBondContact O-N 2.93Å; K282-F286 WeakPolarHBondContact O-CB 3.22Å; K282-Y287 WeakPolarHBondContact O-CD2 3.46Å; K282-Y287 WeakPolarHBondContact O-CE2 3.36Å; K282-E317 VanDerWaalsContact CD-OE2 3.24Å; K282-E317 WeakPolarHBondContact CD-OE2 3.29Å; K282-E317 WeakPolarHBondContact CE-OE2 3.49Å; K282-E317 IonicContact NZ-OE1 3.17Å; K282-E317 PolarHBondContact NZ-OE1 3.47Å; K282-E317 IonicContact NZ-OE2 2.86Å; K282-E317 PolarHBondContact NZ-OE2 3.1Å; K282-Y526 HydrophobicContact CB-CD1 4.26Å; K282-Y526 HydrophobicContact CB-CE1 3.81Å; K282-Y526 HydrophobicContact CD-CD1 4.39Å; K282-Y526 HydrophobicContact CD-CD2 4.16Å; K282-Y526 HydrophobicContact CD-CE1 4.18Å; K282-Y526 HydrophobicContact CD-CE2 4.09Å; K282-Y526 HydrophobicContact CD-CG 4.41Å; K282-Y526 HydrophobicContact CG-CD1 3.39Å; K282-Y526 HydrophobicContact CG-CD2 3.9Å; K282-Y526 HydrophobicContact CG-CE1 3Å; K282-Y526 HydrophobicContact CG-CE2 3.7Å; K282-Y526 HydrophobicContact CG-CG 3.85Å
283	F	91.9	Very high	92.1	Very high	64 Å²	64	31.2 Å²	31.2	28%	0.281	15%	0.147	S	C	.	.	I	π-helix	trans	-106.1	-57.8	179.2	-67.7	-105.3	0	0	0	111	T279 K280 Y287 L288 V450 V453	T279-F283 WeakPolarHBondContact O-CB 3.28Å; T279-F283 WeakPolarHBondContact O-CD2 3.3Å; K280-F283 PolarHBondContact O-N 3.5Å; K280-F283 VanDerWaalsContact O-N 3.08Å; F283-Y287 HydrophobicContact CB-CD2 4.25Å; F283-Y287 AromaticContact CD1-CD2 3.64Å; F283-Y287 HydrophobicContact CD1-CD2 3.64Å; F283-Y287 AromaticContact CD1-CE2 3.98Å; F283-Y287 HydrophobicContact CD1-CE2 3.98Å; F283-Y287 HydrophobicContact CE1-CD2 4.13Å; F283-Y287 HydrophobicContact CE1-CE2 4.02Å; F283-Y287 AromaticContact CG-CD2 3.96Å; F283-Y287 HydrophobicContact CG-CD2 3.96Å; F283-Y287 HydrophobicContact CG-CE2 4.33Å; F283-Y287 HydrophobicContact CZ-CE2 4.41Å; F283-Y287 CarbonylContact O-C 3.1Å; F283-Y287 WeakPolarHBondContact O-CA 3.3Å; F283-Y287 WeakPolarHBondContact O-CB 3.19Å; F283-Y287 PolarHBondContact O-N 3.1Å; F283-L288 PolarHBondContact O-N 2.65Å; F283-V450 VanDerWaalsContact C-CG1 3.42Å; F283-V450 HydrophobicContact CB-CG1 4.06Å; F283-V450 WeakPolarHBondContact O-CG1 3.5Å; F283-V453 HydrophobicContact CB-CG1 4.33Å; F283-V453 HydrophobicContact CD1-CG1 4.39Å; F283-V453 HydrophobicContact CD1-CG2 4.19Å; F283-V453 HydrophobicContact CD2-CG1 4.19Å; F283-V453 HydrophobicContact CG-CG1 4.05Å
284	D	88.6	Confident	92.1	Very high	25 Å²	25	33 Å²	33	13%	0.134	16%	0.158	C	C	.	.	I	π-helix	trans	-64.8	-59.1	177.5	-174.4	-13.8	0	0	0	111.3	K280 F286 L288 C289 V450	K280-D284 HydrophobicContact CD-CB 3.93Å; K280-D284 WeakPolarHBondContact CE-OD2 3.36Å; K280-D284 IonicContact NZ-OD2 2.79Å; K280-D284 PolarHBondContact NZ-OD2 2.76Å; K280-D284 VanDerWaalsContact O-CB 3.31Å; K280-D284 WeakPolarHBondContact O-CB 3.48Å; K280-D284 PolarHBondContact O-N 3.48Å; D284-F286 PolarHBondContact O-N 2.85Å; D284-F286 VanDerWaalsContact O-N 3.11Å; D284-L288 VanDerWaalsContact O-CB 3.3Å; D284-L288 WeakPolarHBondContact O-CB 3.48Å; D284-L288 WeakPolarHBondContact OD1-CD1 3.44Å; D284-C289 PolarHBondContact O-N 2.8Å; D284-V450 HydrophobicContact CB-CG1 4.2Å
285	N	87.4	Confident	92.1	Very high	29 Å²	29	34.8 Å²	34.8	16%	0.155	17%	0.167	C	C	.	.	I	π-helix	trans	-71.7	-16.3	-173.7	-47.8	-13	0	0	0	112.2	K280 S281 C289 E317 V318	K280-N285 PolarHBondContact NZ-OD1 2.75Å; K280-N285 VanDerWaalsContact NZ-OD1 3.08Å; S281-N285 VanDerWaalsContact O-CB 3.25Å; S281-N285 WeakPolarHBondContact O-CB 3.38Å; S281-N285 PolarHBondContact O-N 3.08Å; N285-C289 WeakPolarHBondContact O-CB 3.46Å; N285-E317 HydrophobicContact CB-CB 3.9Å; N285-E317 CarbonylContact O-C 3.59Å; N285-E317 VanDerWaalsContact O-C 3.23Å; N285-V318 HydrophobicContact CB-CG2 4.03Å; N285-V318 WeakPolarHBondContact O-CA 3.49Å; N285-V318 WeakPolarHBondContact O-CG2 3.3Å; N285-V318 PolarHBondContact O-N 3.4Å; N285-V318 VanDerWaalsContact O-N 3.08Å
286	F	93.5	Very high	92.4	Very high	31 Å²	31	34.9 Å²	34.9	14%	0.136	17%	0.167	C	C	.	.	I	π-helix	trans	-112.1	-66.5	179.8	179.1	-97.7	0	0	0	113.2	K282 D284 C289 K290 E317 K320 Q324	K282-F286 WeakPolarHBondContact O-CB 3.22Å; D284-F286 PolarHBondContact O-N 2.85Å; D284-F286 VanDerWaalsContact O-N 3.11Å; F286-C289 PolarHBondContact O-N 3.08Å; F286-K290 VanDerWaalsContact O-CB 3.23Å; F286-K290 WeakPolarHBondContact O-CB 3.41Å; F286-K290 PolarHBondContact O-N 2.99Å; F286-E317 HydrophobicContact CB-CB 4.4Å; F286-E317 WeakPolarHBondContact CD2-O 3.47Å; F286-K320 HydrophobicContact CD2-CB 3.9Å; F286-K320 HydrophobicContact CE2-CB 3.73Å; F286-Q324 VanDerWaalsContact CZ-OE1 3.26Å
287	Y	94.4	Very high	92.6	Very high	106 Å²	106	31.2 Å²	31.2	42%	0.416	15%	0.148	S	C	.	.	I	π-helix	trans	-67.5	-40.9	-175.7	-64	-58.2	0	0	0	113	K282 F283 K290 E291	K282-Y287 WeakPolarHBondContact O-CD2 3.46Å; K282-Y287 WeakPolarHBondContact O-CE2 3.36Å; F283-Y287 HydrophobicContact CB-CD2 4.25Å; F283-Y287 AromaticContact CD1-CD2 3.64Å; F283-Y287 HydrophobicContact CD1-CD2 3.64Å; F283-Y287 AromaticContact CD1-CE2 3.98Å; F283-Y287 HydrophobicContact CD1-CE2 3.98Å; F283-Y287 HydrophobicContact CE1-CD2 4.13Å; F283-Y287 HydrophobicContact CE1-CE2 4.02Å; F283-Y287 AromaticContact CG-CD2 3.96Å; F283-Y287 HydrophobicContact CG-CD2 3.96Å; F283-Y287 HydrophobicContact CG-CE2 4.33Å; F283-Y287 HydrophobicContact CZ-CE2 4.41Å; F283-Y287 CarbonylContact O-C 3.1Å; F283-Y287 WeakPolarHBondContact O-CA 3.3Å; F283-Y287 WeakPolarHBondContact O-CB 3.19Å; F283-Y287 PolarHBondContact O-N 3.1Å; Y287-K290 WeakPolarHBondContact O-CB 3.16Å; Y287-K290 PolarHBondContact O-N 3.35Å; Y287-E291 PolarHBondContact O-N 3.3Å
288	L	92.7	Very high	92.7	Very high	7 Å²	7	35 Å²	35	4%	0.037	16%	0.164	C	C	.	.	I	π-helix	trans	-66.5	-43.8	175	165.7	171.9	0	0	0	111	F283 D284 K290 E291 S292 N440 V446 P447 V450	F283-L288 PolarHBondContact O-N 2.65Å; D284-L288 VanDerWaalsContact O-CB 3.3Å; D284-L288 WeakPolarHBondContact O-CB 3.48Å; D284-L288 WeakPolarHBondContact OD1-CD1 3.44Å; L288-K290 VanDerWaalsContact C-N 3.26Å; L288-K290 PolarHBondContact O-N 3.11Å; L288-E291 PolarHBondContact O-N 3.41Å; L288-S292 VanDerWaalsContact O-CB 3.29Å; L288-S292 WeakPolarHBondContact O-CB 3.27Å; L288-S292 PolarHBondContact O-N 2.76Å; L288-S292 PolarHBondContact O-OG 3.3Å; L288-N440 HydrophobicContact CD2-CB 4.42Å; L288-V446 HydrophobicContact CD1-CB 4.37Å; L288-V446 HydrophobicContact CD1-CG1 3.31Å; L288-V446 HydrophobicContact CD1-CG2 4.24Å; L288-V446 HydrophobicContact CG-CG1 3.99Å; L288-P447 HydrophobicContact CB-CG 4.35Å; L288-V450 HydrophobicContact CB-CB 4.2Å; L288-V450 HydrophobicContact CB-CG1 3.69Å; L288-V450 HydrophobicContact CB-CG2 4.33Å; L288-V450 HydrophobicContact CD1-CG1 4.2Å
289	C	92.6	Very high	92.7	Very high	3 Å²	3	39 Å²	39	2%	0.02	18%	0.176	C	C	.	.	H	α-helix	trans	-64	-32.2	177	-68.7	0	0	0	0	112.7	D284 N285 F286 S292 I293 V318 M393	D284-C289 PolarHBondContact O-N 2.8Å; N285-C289 WeakPolarHBondContact O-CB 3.46Å; F286-C289 PolarHBondContact O-N 3.08Å; C289-S292 WeakPolarHBondContact CA-OG 3.36Å; C289-I293 VanDerWaalsContact O-CG2 3.26Å; C289-I293 WeakPolarHBondContact O-CG2 3.33Å; C289-I293 PolarHBondContact O-N 3.45Å; C289-V318 HydrophobicContact CB-CG1 4.15Å; C289-M393 HydrophobicContact CB-CE 4.16Å
290	K	94.9	Very high	92.7	Very high	62 Å²	62	39.3 Å²	39.3	27%	0.27	18%	0.178	S	C	.	.	H	α-helix	trans	-64.7	-39	174.5	-178.2	-178.8	176.8	175.7	0	112.6	F286 Y287 L288 A325	F286-K290 VanDerWaalsContact O-CB 3.23Å; F286-K290 WeakPolarHBondContact O-CB 3.41Å; F286-K290 PolarHBondContact O-N 2.99Å; Y287-K290 WeakPolarHBondContact O-CB 3.16Å; Y287-K290 PolarHBondContact O-N 3.35Å; L288-K290 VanDerWaalsContact C-N 3.26Å; L288-K290 PolarHBondContact O-N 3.11Å; K290-A325 HydrophobicContact CG-CB 3.92Å; K290-A325 WeakPolarHBondContact O-CB 3.29Å
291	E	94.2	Very high	92.9	Very high	117 Å²	117	40 Å²	40	55%	0.547	18%	0.183	S	C	.	.	H	α-helix	trans	-81.8	-48.5	176.3	-69.9	-166.9	-143.4	0	0	112.3	Y287 L288 I293 V294 D295	Y287-E291 PolarHBondContact O-N 3.3Å; L288-E291 PolarHBondContact O-N 3.41Å; E291-I293 VanDerWaalsContact C-N 3.35Å; E291-I293 PolarHBondContact O-N 3.22Å; E291-V294 PolarHBondContact O-N 3.44Å; E291-V294 VanDerWaalsContact O-N 3.15Å; E291-D295 PolarHBondContact O-N 2.92Å
292	S	93.6	Very high	93.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-33.4	-172	55.4	0	0	0	0	113.7	L288 C289 V294 D295 S296 N440 S444	L288-S292 VanDerWaalsContact O-CB 3.29Å; L288-S292 WeakPolarHBondContact O-CB 3.27Å; L288-S292 PolarHBondContact O-N 2.76Å; L288-S292 PolarHBondContact O-OG 3.3Å; C289-S292 WeakPolarHBondContact CA-OG 3.36Å; S292-V294 VanDerWaalsContact C-N 3.27Å; S292-V294 PolarHBondContact O-N 2.84Å; S292-D295 PolarHBondContact O-N 3.36Å; S292-S296 VanDerWaalsContact O-CB 3.32Å; S292-S296 WeakPolarHBondContact O-CB 3.48Å; S292-S296 PolarHBondContact O-N 3.22Å; S292-S296 PolarHBondContact O-OG 3.43Å; S292-N440 WeakPolarHBondContact OG-CB 3.36Å; S292-S444 VanDerWaalsContact CA-OG 3.28Å; S292-S444 WeakPolarHBondContact CA-OG 3.22Å; S292-S444 WeakPolarHBondContact CB-OG 3.45Å; S292-S444 PolarHBondContact O-OG 3.08Å
293	I	95.8	Very high	93.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-38.5	176.7	-175.6	56.6	0	0	0	112.6	C289 E291 L297 V322 A325 L326 V367 M393	C289-I293 VanDerWaalsContact O-CG2 3.26Å; C289-I293 WeakPolarHBondContact O-CG2 3.33Å; C289-I293 PolarHBondContact O-N 3.45Å; E291-I293 VanDerWaalsContact C-N 3.35Å; E291-I293 PolarHBondContact O-N 3.22Å; I293-L297 HydrophobicContact CD1-CD1 4.04Å; I293-L297 HydrophobicContact CD1-CG 4.02Å; I293-L297 HydrophobicContact CG1-CD1 4.11Å; I293-L297 HydrophobicContact CG1-CG 4.49Å; I293-L297 WeakPolarHBondContact O-CB 3.07Å; I293-L297 WeakPolarHBondContact O-CG 3.27Å; I293-L297 PolarHBondContact O-N 3.19Å; I293-V322 HydrophobicContact CB-CG2 4.12Å; I293-V322 HydrophobicContact CG1-CG1 4.15Å; I293-V322 HydrophobicContact CG1-CG2 4.29Å; I293-V322 HydrophobicContact CG2-CG2 4.3Å; I293-A325 HydrophobicContact CG2-CB 3.73Å; I293-L326 HydrophobicContact CG1-CD1 4.24Å; I293-L326 HydrophobicContact CG1-CD2 4.21Å; I293-L326 HydrophobicContact CG1-CG 4.37Å; I293-V367 HydrophobicContact CD1-CG1 4.08Å; I293-V367 HydrophobicContact CD1-CG2 4.27Å; I293-M393 HydrophobicContact CB-CE 3.91Å; I293-M393 HydrophobicContact CB-SD 4.3Å; I293-M393 HydrophobicContact CD1-CG 3.8Å; I293-M393 HydrophobicContact CD1-SD 3.84Å
294	V	95.5	Very high	93.5	Very high	38 Å²	38	46.9 Å²	46.9	23%	0.23	22%	0.221	C	C	.	.	H	α-helix	trans	-66.4	-48.4	-179.8	175.3	0	0	0	0	109	E291 S292 L297 K298 A325 L329	E291-V294 PolarHBondContact O-N 3.44Å; E291-V294 VanDerWaalsContact O-N 3.15Å; S292-V294 VanDerWaalsContact C-N 3.27Å; S292-V294 PolarHBondContact O-N 2.84Å; V294-L297 PolarHBondContact O-N 2.79Å; V294-K298 HydrophobicContact CG1-CG 4.3Å; V294-K298 VanDerWaalsContact O-CB 3.29Å; V294-K298 WeakPolarHBondContact O-CB 3.34Å; V294-K298 WeakPolarHBondContact O-CG 3.44Å; V294-K298 PolarHBondContact O-N 3.18Å; V294-A325 HydrophobicContact CG2-CB 3.91Å; V294-L329 HydrophobicContact CB-CD1 4.26Å; V294-L329 HydrophobicContact CG1-CD1 3.69Å; V294-L329 HydrophobicContact CG2-CD1 3.68Å
295	D	94.3	Very high	93.9	Very high	37 Å²	37	45.8 Å²	45.8	20%	0.198	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-45.9	179.8	-174.5	44.6	0	0	0	111.6	E291 S292 L297 K298 R299 S444 T445	E291-D295 PolarHBondContact O-N 2.92Å; S292-D295 PolarHBondContact O-N 3.36Å; D295-L297 PolarHBondContact O-N 3.5Å; D295-K298 PolarHBondContact O-N 2.81Å; D295-R299 VanDerWaalsContact CG-NE 3.3Å; D295-R299 WeakPolarHBondContact O-CB 3.42Å; D295-R299 WeakPolarHBondContact O-CG 3.34Å; D295-R299 PolarHBondContact O-N 3.49Å; D295-R299 IonicContact OD1-CZ 3.26Å; D295-R299 IonicContact OD1-NE 2.74Å; D295-R299 PolarHBondContact OD1-NE 3.47Å; D295-R299 IonicContact OD1-NH2 3.4Å; D295-R299 PolarHBondContact OD1-NH2 3.03Å; D295-R299 IonicContact OD2-CZ 2.65Å; D295-R299 IonicContact OD2-NE 3.13Å; D295-R299 PolarHBondContact OD2-NE 3.45Å; D295-R299 IonicContact OD2-NH2 2.92Å; D295-R299 PolarHBondContact OD2-NH2 3.27Å; D295-S444 WeakPolarHBondContact CB-OG 3.43Å; D295-S444 WeakPolarHBondContact OD2-CA 3.44Å; D295-S444 WeakPolarHBondContact OD2-CB 3.25Å; D295-S444 PolarHBondContact OD2-OG 3.04Å; D295-T445 PolarHBondContact OD2-N 3.37Å; D295-T445 PolarHBondContact OD2-OG1 3Å
296	S	93.7	Very high	94.4	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	23%	0.227	C	C	.	.	H	α-helix	trans	-53.9	-53	174.2	-64.2	0	0	0	0	111.2	S292 K298 T300 A439 C443 S444	S292-S296 VanDerWaalsContact O-CB 3.32Å; S292-S296 WeakPolarHBondContact O-CB 3.48Å; S292-S296 PolarHBondContact O-N 3.22Å; S292-S296 PolarHBondContact O-OG 3.43Å; S296-K298 PolarHBondContact O-N 3.25Å; S296-T300 VanDerWaalsContact O-CB 3.32Å; S296-T300 WeakPolarHBondContact O-CB 3.45Å; S296-T300 VanDerWaalsContact O-CG2 3.24Å; S296-T300 WeakPolarHBondContact O-CG2 3.35Å; S296-T300 PolarHBondContact O-N 3.4Å; S296-T300 VanDerWaalsContact O-N 3.14Å; S296-T300 PolarHBondContact O-OG1 3.31Å; S296-A439 VanDerWaalsContact OG-C 3.27Å; S296-A439 PolarHBondContact OG-O 3.27Å; S296-C443 WeakPolarHBondContact CA-O 3.49Å; S296-S444 VanDerWaalsContact OG-CB 3.3Å; S296-S444 WeakPolarHBondContact OG-CB 3.39Å
297	L	95.6	Very high	94.6	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-41.4	-179.7	-70.9	174.1	0	0	0	111.7	I293 V294 D295 T300 T301 I305 L326 I365 V389 I433	I293-L297 HydrophobicContact CD1-CD1 4.04Å; I293-L297 HydrophobicContact CD1-CG 4.02Å; I293-L297 HydrophobicContact CG1-CD1 4.11Å; I293-L297 HydrophobicContact CG1-CG 4.49Å; I293-L297 WeakPolarHBondContact O-CB 3.07Å; I293-L297 WeakPolarHBondContact O-CG 3.27Å; I293-L297 PolarHBondContact O-N 3.19Å; V294-L297 PolarHBondContact O-N 2.79Å; D295-L297 PolarHBondContact O-N 3.5Å; L297-T300 PolarHBondContact O-OG1 2.92Å; L297-T301 WeakPolarHBondContact O-CB 3.35Å; L297-T301 PolarHBondContact O-N 3.45Å; L297-T301 PolarHBondContact O-OG1 3.27Å; L297-I305 HydrophobicContact CB-CD1 4.08Å; L297-I305 HydrophobicContact CD1-CD1 4.01Å; L297-I305 HydrophobicContact CD1-CG1 4.49Å; L297-L326 HydrophobicContact CD1-CD2 3.72Å; L297-I365 HydrophobicContact CD1-CD1 4.3Å; L297-I365 HydrophobicContact CD2-CG2 4.24Å; L297-V389 HydrophobicContact CD2-CG1 4.02Å; L297-I433 HydrophobicContact CD2-CD1 3.94Å
298	K	94.3	Very high	94.8	Very high	83 Å²	83	46 Å²	46	36%	0.361	24%	0.236	S	C	.	.	H	α-helix	trans	-66.1	-49.3	-179.4	-74.6	-63.3	-170.4	-179.8	0	112.3	V294 D295 S296 T300 D302 M303	V294-K298 HydrophobicContact CG1-CG 4.3Å; V294-K298 VanDerWaalsContact O-CB 3.29Å; V294-K298 WeakPolarHBondContact O-CB 3.34Å; V294-K298 WeakPolarHBondContact O-CG 3.44Å; V294-K298 PolarHBondContact O-N 3.18Å; D295-K298 PolarHBondContact O-N 2.81Å; S296-K298 PolarHBondContact O-N 3.25Å; K298-T300 VanDerWaalsContact C-N 3.32Å; K298-T300 PolarHBondContact O-N 3.48Å; K298-D302 WeakPolarHBondContact O-CA 3.18Å; K298-D302 PolarHBondContact O-N 3.12Å; K298-M303 PolarHBondContact NZ-O 2.85Å
299	R	91.4	Very high	95	Very high	133 Å²	133	47.8 Å²	47.8	50%	0.502	25%	0.248	S	C	.	.	H	α-helix	trans	-64.9	-35	179.6	-69.2	-173	-168.3	-154.6	8.8	113.4	D295 T445	D295-R299 VanDerWaalsContact CG-NE 3.3Å; D295-R299 WeakPolarHBondContact O-CB 3.42Å; D295-R299 WeakPolarHBondContact O-CG 3.34Å; D295-R299 PolarHBondContact O-N 3.49Å; D295-R299 IonicContact OD1-CZ 3.26Å; D295-R299 IonicContact OD1-NE 2.74Å; D295-R299 PolarHBondContact OD1-NE 3.47Å; D295-R299 IonicContact OD1-NH2 3.4Å; D295-R299 PolarHBondContact OD1-NH2 3.03Å; D295-R299 IonicContact OD2-CZ 2.65Å; D295-R299 IonicContact OD2-NE 3.13Å; D295-R299 PolarHBondContact OD2-NE 3.45Å; D295-R299 IonicContact OD2-NH2 2.92Å; D295-R299 PolarHBondContact OD2-NH2 3.27Å; R299-T445 PolarHBondContact NH2-OG1 3.32Å
300	T	93.4	Very high	95.3	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.055	25%	0.247	C	C	.	.	H	α-helix	trans	-86.2	-33.7	-174.2	55.1	0	0	0	0	112.9	S296 L297 K298 V419 I433 C443	S296-T300 VanDerWaalsContact O-CB 3.32Å; S296-T300 WeakPolarHBondContact O-CB 3.45Å; S296-T300 VanDerWaalsContact O-CG2 3.24Å; S296-T300 WeakPolarHBondContact O-CG2 3.35Å; S296-T300 PolarHBondContact O-N 3.4Å; S296-T300 VanDerWaalsContact O-N 3.14Å; S296-T300 PolarHBondContact O-OG1 3.31Å; L297-T300 PolarHBondContact O-OG1 2.92Å; K298-T300 VanDerWaalsContact C-N 3.32Å; K298-T300 PolarHBondContact O-N 3.48Å; T300-V419 HydrophobicContact CG2-CG2 3.89Å; T300-I433 HydrophobicContact CG2-CG2 4.09Å; T300-I433 VanDerWaalsContact OG1-CD1 3.24Å; T300-I433 WeakPolarHBondContact OG1-CD1 3.24Å; T300-C443 HydrophobicContact CG2-CB 3.64Å
301	T	94	Very high	95.5	Very high	28 Å²	28	44.7 Å²	44.7	17%	0.172	23%	0.234	C	C	.	.	H	α-helix	trans	-124.1	-13.5	-169.5	71.2	0	0	0	0	115	L297 M303 V389 V431 I433	L297-T301 WeakPolarHBondContact O-CB 3.35Å; L297-T301 PolarHBondContact O-N 3.45Å; L297-T301 PolarHBondContact O-OG1 3.27Å; T301-M303 PolarHBondContact O-N 3.13Å; T301-M303 WeakPolarHBondContact OG1-CB 3.28Å; T301-M303 WeakPolarHBondContact OG1-CG 3.18Å; T301-M303 PolarHBondContact OG1-N 2.95Å; T301-V389 HydrophobicContact CG2-CG1 4.17Å; T301-V389 HydrophobicContact CG2-CG2 3.97Å; T301-V431 HydrophobicContact CG2-CG1 4.22Å; T301-I433 HydrophobicContact CG2-CD1 4.03Å
302	D	93.7	Very high	95.7	Very high	109 Å²	109	39.1 Å²	39.1	58%	0.583	21%	0.208	S	C	*	.			trans	54.2	10.7	-172.6	-56.6	-68.8	0	0	0	114.2	K298 R416	K298-D302 WeakPolarHBondContact O-CA 3.18Å; K298-D302 PolarHBondContact O-N 3.12Å; D302-R416 IonicContact OD2-CZ 3.38Å; D302-R416 IonicContact OD2-NH1 3.68Å; D302-R416 PolarHBondContact OD2-NH1 3.48Å; D302-R416 IonicContact OD2-NH2 3.85Å; D302-R416 PolarHBondContact OD2-NH2 3.36Å
303	M	93	Very high	96	Very high	40 Å²	40	39.1 Å²	39.1	20%	0.197	21%	0.208	C	C	.	.			trans	-76.4	152.8	-164.4	79	174.3	21.8	0	0	113.3	K298 T301 I305 I365 V389	K298-M303 PolarHBondContact NZ-O 2.85Å; T301-M303 PolarHBondContact O-N 3.13Å; T301-M303 WeakPolarHBondContact OG1-CB 3.28Å; T301-M303 WeakPolarHBondContact OG1-CG 3.18Å; T301-M303 PolarHBondContact OG1-N 2.95Å; M303-I305 HydrophobicContact CG-CG1 4.4Å; M303-I305 PolarHBondContact O-N 3.45Å; M303-I365 HydrophobicContact SD-CD1 3.6Å; M303-I365 VanDerWaalsContact SD-CD1 3.6Å; M303-I365 HydrophobicContact SD-CG1 3.94Å; M303-V389 HydrophobicContact CE-CB 4.39Å; M303-V389 HydrophobicContact CE-CG2 3.21Å; M303-V389 HydrophobicContact SD-CG2 3.98Å
304	M	96.3	Very high	96.1	Very high	126 Å²	126	39.3 Å²	39.3	62%	0.621	21%	0.21	S	C	*	.			trans	-72.3	118	164.5	-174.2	172.2	-176.3	0	0	109.2	K308	M304-K308 WeakPolarHBondContact O-CE 3.45Å; M304-K308 WeakPolarHBondContact O-CG 3.28Å
305	I	97.5	Very high	96.2	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	20%	0.2	C	C	.	.			trans	-84.2	-33.4	177.4	-66.7	167.5	0	0	0	110.9	L297 M303 G307 K308 L326 L329 A331	L297-I305 HydrophobicContact CB-CD1 4.08Å; L297-I305 HydrophobicContact CD1-CD1 4.01Å; L297-I305 HydrophobicContact CD1-CG1 4.49Å; M303-I305 HydrophobicContact CG-CG1 4.4Å; M303-I305 PolarHBondContact O-N 3.45Å; I305-G307 PolarHBondContact O-N 3.39Å; I305-K308 VanDerWaalsContact O-CB 3.27Å; I305-K308 WeakPolarHBondContact O-CB 3.25Å; I305-K308 WeakPolarHBondContact O-CG 3.42Å; I305-K308 PolarHBondContact O-N 3.19Å; I305-K308 VanDerWaalsContact O-N 3.11Å; I305-L326 HydrophobicContact CD1-CD2 4.29Å; I305-L326 HydrophobicContact CG2-CD2 4.01Å; I305-L329 HydrophobicContact CB-CB 4.38Å; I305-L329 HydrophobicContact CB-CD1 4.26Å; I305-L329 HydrophobicContact CD1-CD1 3.65Å; I305-L329 HydrophobicContact CG2-CB 3.92Å; I305-L329 HydrophobicContact CG2-CD1 4.1Å; I305-A331 HydrophobicContact CG2-CB 3.93Å
306	S	98	Very high	96.2	Very high	57 Å²	57	37.4 Å²	37.4	40%	0.399	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	131.8	177.5	-176.8	0	0	0	0	111.3	K308 L329	S306-K308 VanDerWaalsContact C-N 3.26Å; S306-K308 PolarHBondContact O-N 3.11Å; S306-L329 VanDerWaalsContact CA-O 3.27Å; S306-L329 WeakPolarHBondContact CA-O 3.47Å; S306-L329 WeakPolarHBondContact CB-O 3.46Å
307	G	97.5	Very high	96.2	Very high	44 Å²	44	39.7 Å²	39.7	45%	0.454	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	-3.9	-177.8	0	0	0	0	0	115.6	I305 G330	I305-G307 PolarHBondContact O-N 3.39Å; G307-G330 PolarHBondContact N-O 3.18Å
308	K	98.1	Very high	96	Very high	68 Å²	68	40.9 Å²	40.9	30%	0.296	22%	0.223	S	C	.	.			trans	-78.9	147.8	176.3	-60.4	-59.7	-177.6	-176.6	0	111.7	M304 I305 S306 A331 F332 D364	M304-K308 WeakPolarHBondContact O-CE 3.45Å; M304-K308 WeakPolarHBondContact O-CG 3.28Å; I305-K308 VanDerWaalsContact O-CB 3.27Å; I305-K308 WeakPolarHBondContact O-CB 3.25Å; I305-K308 WeakPolarHBondContact O-CG 3.42Å; I305-K308 PolarHBondContact O-N 3.19Å; I305-K308 VanDerWaalsContact O-N 3.11Å; S306-K308 VanDerWaalsContact C-N 3.26Å; S306-K308 PolarHBondContact O-N 3.11Å; K308-A331 CarbonylContact O-C 3.23Å; K308-A331 WeakPolarHBondContact O-CA 3.29Å; K308-F332 PolarHBondContact O-N 2.94Å; K308-D364 HydrophobicContact CB-CB 3.91Å; K308-D364 HydrophobicContact CD-CB 3.87Å; K308-D364 HydrophobicContact CG-CB 4.3Å; K308-D364 IonicContact NZ-OD1 2.73Å
309	T	98.4	Very high	96.2	Very high	46 Å²	46	37 Å²	37	28%	0.282	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.3	169.7	-54.4	0	0	0	0	109.5	F332 V363 D364 I365	T309-F332 CarbonylContact C-O 3.59Å; T309-F332 WeakPolarHBondContact CA-O 3.43Å; T309-V363 HydrophobicContact CG2-CG1 3.92Å; T309-D364 PolarHBondContact N-OD2 3.15Å; T309-D364 WeakPolarHBondContact O-CB 3.43Å; T309-D364 PolarHBondContact O-N 2.91Å; T309-I365 PolarHBondContact O-N 2.85Å
310	V	98.7	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.3	-176.6	-175.4	0	0	0	0	109.4	V312 L326 A331 F332 V333 C334 I365 V367	V310-V312 HydrophobicContact CG1-CG2 3.95Å; V310-L326 HydrophobicContact CG1-CD1 3.73Å; V310-L326 HydrophobicContact CG2-CD1 4.39Å; V310-A331 HydrophobicContact CG2-CB 3.78Å; V310-F332 PolarHBondContact N-O 3.21Å; V310-V333 HydrophobicContact CB-CG2 4.39Å; V310-V333 WeakPolarHBondContact O-CA 3.47Å; V310-C334 PolarHBondContact O-N 3.1Å; V310-C334 PolarHBondContact O-SG 3.2Å; V310-C334 VanDerWaalsContact O-SG 3.32Å; V310-I365 CarbonylContact C-O 3.5Å; V310-I365 WeakPolarHBondContact CA-O 3.49Å; V310-I365 HydrophobicContact CB-CB 4.49Å; V310-I365 HydrophobicContact CG1-CB 4.16Å; V310-I365 HydrophobicContact CG1-CG2 4.33Å; V310-I365 HydrophobicContact CG2-CB 4.1Å; V310-I365 HydrophobicContact CG2-CD1 4.17Å; V310-I365 HydrophobicContact CG2-CG1 4.44Å; V310-V367 HydrophobicContact CG1-CG2 4.21Å
311	L	98.8	Very high	96.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.2	165.6	174	63.3	0	0	0	109.2	V354 I356 V359 I360 V363 I365 V366 V367	L311-V354 HydrophobicContact CD1-CG2 4.13Å; L311-I356 HydrophobicContact CD2-CB 4.47Å; L311-I356 HydrophobicContact CD2-CG1 4.28Å; L311-I356 HydrophobicContact CD2-CG2 4.09Å; L311-V359 HydrophobicContact CD1-CG2 4.11Å; L311-V359 HydrophobicContact CD2-CG2 4.14Å; L311-I360 HydrophobicContact CD2-CD1 4.29Å; L311-V363 HydrophobicContact CB-CB 4.43Å; L311-V363 HydrophobicContact CB-CG1 3.95Å; L311-V363 HydrophobicContact CB-CG2 4.42Å; L311-I365 PolarHBondContact N-O 3.13Å; L311-V366 HydrophobicContact CB-CG2 4.33Å; L311-V366 HydrophobicContact CD2-CG1 4.42Å; L311-V366 WeakPolarHBondContact O-CA 3.49Å; L311-V367 PolarHBondContact O-N 3.47Å
312	V	98.8	Very high	96.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.5	170.7	-178.1	0	0	0	0	108.5	V310 V322 V333 C334 I335 S336 V367	V310-V312 HydrophobicContact CG1-CG2 3.95Å; V312-V322 HydrophobicContact CG1-CG1 4.1Å; V312-V322 HydrophobicContact CG2-CG1 3.8Å; V312-V333 HydrophobicContact CG2-CG1 3.85Å; V312-C334 PolarHBondContact N-O 3.07Å; V312-I335 CarbonylContact O-C 3.55Å; V312-I335 VanDerWaalsContact O-CA 3.24Å; V312-I335 WeakPolarHBondContact O-CA 3.48Å; V312-S336 PolarHBondContact O-N 3.46Å; V312-V367 CarbonylContact C-O 3.54Å; V312-V367 WeakPolarHBondContact CA-O 3Å; V312-V367 HydrophobicContact CG2-CB 4.48Å
313	C	98.6	Very high	97	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.9	179.1	-52.1	0	0	0	0	109.7	S336 V367 T368 C369 T370 V375	C313-S336 WeakPolarHBondContact CA-OG 3.45Å; C313-S336 WeakPolarHBondContact CB-OG 3.43Å; C313-S336 PolarHBondContact SG-OG 3.34Å; C313-S336 VanDerWaalsContact SG-OG 3.41Å; C313-V367 PolarHBondContact N-O 2.91Å; C313-T368 HydrophobicContact CB-CG2 4.48Å; C313-C369 CarbonylContact O-C 3.6Å; C313-C369 WeakPolarHBondContact O-CA 3.45Å; C313-C369 WeakPolarHBondContact O-CB 3.31Å; C313-C369 PolarHBondContact O-N 3.39Å; C313-T370 HydrophobicContact CB-CG2 4.01Å; C313-T370 WeakPolarHBondContact O-CG2 3.49Å; C313-V375 HydrophobicContact CB-CG1 3.57Å
314	G	97.9	Very high	97.3	Very high	4 Å²	4	26.9 Å²	26.9	4%	0.041	16%	0.157	C	C	.	.			trans	94	135.1	-173.2	0	0	0	0	0	112.6	G319 S336	G314-G319 WeakPolarHBondContact O-CA 3.46Å; G314-S336 PolarHBondContact N-O 3.01Å
315	Y	98.2	Very high	97.3	Very high	5 Å²	5	21.3 Å²	21.3	2%	0.02	13%	0.132	C	C	.	.			trans	-127.2	35.6	-179.8	-157.3	-112.4	0	0	0	112.4	K320 C323 I335 E337 C342 Q345 A346 D349 Y351	Y315-K320 HydrophobicContact CD1-CG 3.89Å; Y315-K320 HydrophobicContact CD2-CG 4.23Å; Y315-K320 HydrophobicContact CE1-CD 4.41Å; Y315-K320 HydrophobicContact CE1-CG 3.62Å; Y315-K320 HydrophobicContact CE2-CB 4.47Å; Y315-K320 HydrophobicContact CE2-CG 4Å; Y315-K320 HydrophobicContact CG-CG 4.2Å; Y315-K320 PolarHBondContact O-NZ 3.46Å; Y315-C323 HydrophobicContact CE2-CB 3.79Å; Y315-I335 HydrophobicContact CD2-CD1 3.29Å; Y315-I335 HydrophobicContact CD2-CG1 4.09Å; Y315-I335 HydrophobicContact CD2-CG2 4.44Å; Y315-I335 HydrophobicContact CE2-CD1 3.39Å; Y315-I335 HydrophobicContact CE2-CG1 4.49Å; Y315-I335 HydrophobicContact CG-CD1 3.97Å; Y315-I335 HydrophobicContact CG-CG2 4.43Å; Y315-E337 WeakPolarHBondContact CA-OE1 3.39Å; Y315-E337 PolarHBondContact N-OE1 3.02Å; Y315-C342 WeakPolarHBondContact CD1-O 3.49Å; Y315-Q345 HydrophobicContact CD1-CB 4.4Å; Y315-Q345 HydrophobicContact CE1-CB 4.21Å; Y315-A346 HydrophobicContact CD1-CB 3.59Å; Y315-A346 HydrophobicContact CD2-CB 4.35Å; Y315-A346 VanDerWaalsContact CE1-CA 3.41Å; Y315-A346 HydrophobicContact CE1-CB 3.78Å; Y315-A346 HydrophobicContact CE2-CB 4.48Å; Y315-A346 HydrophobicContact CG-CB 3.89Å; Y315-D349 WeakPolarHBondContact CE1-OD2 3.48Å; Y315-D349 WeakPolarHBondContact OH-CB 3.25Å; Y315-D349 PolarHBondContact OH-OD2 3.15Å; Y315-Y351 HydrophobicContact CE2-CD2 4.07Å; Y315-Y351 HydrophobicContact CE2-CE2 4.1Å; Y315-Y351 AromaticContact CZ-CD2 3.96Å; Y315-Y351 AromaticContact CZ-CE2 3.99Å; Y315-Y351 WeakPolarHBondContact OH-CD2 3.46Å; Y315-Y351 WeakPolarHBondContact OH-CE2 3.35Å
316	G	94.3	Very high	97.4	Very high	29 Å²	29	21.2 Å²	21.2	30%	0.299	13%	0.131	S	C	.	.	S	Bend	trans	-67.5	-164	160.7	0	0	0	0	0	112.1	V318 G319 K320	G316-V318 PolarHBondContact O-N 3.39Å; G316-G319 PolarHBondContact O-N 2.9Å; G316-K320 WeakPolarHBondContact O-CB 3.42Å; G316-K320 VanDerWaalsContact O-CG 3.25Å; G316-K320 WeakPolarHBondContact O-CG 3.06Å; G316-K320 PolarHBondContact O-N 3.5Å
317	E	92.7	Very high	97.4	Very high	49 Å²	49	24.5 Å²	24.5	23%	0.229	14%	0.135	C	C	.	.	H	α-helix	trans	-59.6	-44.1	-178.6	-59.2	-54.7	142.9	0	0	112.9	K282 N285 F286 K320 G321	K282-E317 VanDerWaalsContact CD-OE2 3.24Å; K282-E317 WeakPolarHBondContact CD-OE2 3.29Å; K282-E317 WeakPolarHBondContact CE-OE2 3.49Å; K282-E317 IonicContact NZ-OE1 3.17Å; K282-E317 PolarHBondContact NZ-OE1 3.47Å; K282-E317 IonicContact NZ-OE2 2.86Å; K282-E317 PolarHBondContact NZ-OE2 3.1Å; N285-E317 HydrophobicContact CB-CB 3.9Å; N285-E317 CarbonylContact O-C 3.59Å; N285-E317 VanDerWaalsContact O-C 3.23Å; F286-E317 HydrophobicContact CB-CB 4.4Å; F286-E317 WeakPolarHBondContact CD2-O 3.47Å; E317-K320 PolarHBondContact O-N 3.28Å; E317-G321 PolarHBondContact O-N 3.05Å
318	V	93.1	Very high	97.4	Very high	27 Å²	27	25.8 Å²	25.8	16%	0.164	15%	0.148	C	C	.	.	H	α-helix	trans	-59.9	-51.5	175.5	178.9	0	0	0	0	110.8	N285 C289 G316 K320 G321 V322 C369 M393	N285-V318 HydrophobicContact CB-CG2 4.03Å; N285-V318 WeakPolarHBondContact O-CA 3.49Å; N285-V318 WeakPolarHBondContact O-CG2 3.3Å; N285-V318 PolarHBondContact O-N 3.4Å; N285-V318 VanDerWaalsContact O-N 3.08Å; C289-V318 HydrophobicContact CB-CG1 4.15Å; G316-V318 PolarHBondContact O-N 3.39Å; V318-K320 VanDerWaalsContact C-N 3.34Å; V318-K320 PolarHBondContact O-N 3.42Å; V318-G321 PolarHBondContact O-N 2.89Å; V318-V322 HydrophobicContact CG1-CG2 4.37Å; V318-V322 WeakPolarHBondContact O-CB 3.5Å; V318-V322 WeakPolarHBondContact O-CG2 3.26Å; V318-V322 PolarHBondContact O-N 2.95Å; V318-C369 HydrophobicContact CB-CB 4.3Å; V318-C369 HydrophobicContact CG1-CB 3.89Å; V318-M393 HydrophobicContact CG1-CB 3.95Å; V318-M393 WeakPolarHBondContact CG1-O 3.43Å
319	G	97.1	Very high	97.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.2	-45.3	177.8	0	0	0	0	0	112.5	G314 G316 G321 V322 C323	G314-G319 WeakPolarHBondContact O-CA 3.46Å; G316-G319 PolarHBondContact O-N 2.9Å; G319-G321 PolarHBondContact O-N 2.93Å; G319-V322 PolarHBondContact O-N 2.77Å; G319-C323 WeakPolarHBondContact O-CB 3.38Å; G319-C323 PolarHBondContact O-N 3.31Å; G319-C323 PolarHBondContact O-SG 3.49Å
320	K	97.7	Very high	97.3	Very high	22 Å²	22	25.2 Å²	25.2	10%	0.096	15%	0.154	C	C	.	.	H	α-helix	trans	-59.3	-46.4	176.5	-73.1	175.2	174.2	82.2	0	111.9	F286 Y315 G316 E317 V318 Q324	F286-K320 HydrophobicContact CD2-CB 3.9Å; F286-K320 HydrophobicContact CE2-CB 3.73Å; Y315-K320 HydrophobicContact CD1-CG 3.89Å; Y315-K320 HydrophobicContact CD2-CG 4.23Å; Y315-K320 HydrophobicContact CE1-CD 4.41Å; Y315-K320 HydrophobicContact CE1-CG 3.62Å; Y315-K320 HydrophobicContact CE2-CB 4.47Å; Y315-K320 HydrophobicContact CE2-CG 4Å; Y315-K320 HydrophobicContact CG-CG 4.2Å; Y315-K320 PolarHBondContact O-NZ 3.46Å; G316-K320 WeakPolarHBondContact O-CB 3.42Å; G316-K320 VanDerWaalsContact O-CG 3.25Å; G316-K320 WeakPolarHBondContact O-CG 3.06Å; G316-K320 PolarHBondContact O-N 3.5Å; E317-K320 PolarHBondContact O-N 3.28Å; V318-K320 VanDerWaalsContact C-N 3.34Å; V318-K320 PolarHBondContact O-N 3.42Å; K320-Q324 WeakPolarHBondContact O-CB 3.35Å; K320-Q324 PolarHBondContact O-N 2.98Å
321	G	96.6	Very high	97.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-48.4	177.3	0	0	0	0	0	112	E317 V318 G319 Q324 A325	E317-G321 PolarHBondContact O-N 3.05Å; V318-G321 PolarHBondContact O-N 2.89Å; G319-G321 PolarHBondContact O-N 2.93Å; G321-Q324 PolarHBondContact O-N 3.18Å; G321-A325 WeakPolarHBondContact O-CB 3.45Å; G321-A325 PolarHBondContact O-N 3.13Å
322	V	97.9	Very high	97.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-50.1	177.5	166.7	0	0	0	0	111.8	I293 V312 V318 G319 Q324 A325 L326 V367 M393	I293-V322 HydrophobicContact CB-CG2 4.12Å; I293-V322 HydrophobicContact CG1-CG1 4.15Å; I293-V322 HydrophobicContact CG1-CG2 4.29Å; I293-V322 HydrophobicContact CG2-CG2 4.3Å; V312-V322 HydrophobicContact CG1-CG1 4.1Å; V312-V322 HydrophobicContact CG2-CG1 3.8Å; V318-V322 HydrophobicContact CG1-CG2 4.37Å; V318-V322 WeakPolarHBondContact O-CB 3.5Å; V318-V322 WeakPolarHBondContact O-CG2 3.26Å; V318-V322 PolarHBondContact O-N 2.95Å; G319-V322 PolarHBondContact O-N 2.77Å; V322-Q324 VanDerWaalsContact C-N 3.35Å; V322-Q324 PolarHBondContact O-N 3.33Å; V322-A325 PolarHBondContact O-N 3.23Å; V322-L326 HydrophobicContact CG1-CD1 3.84Å; V322-L326 HydrophobicContact CG1-CG 4.45Å; V322-L326 WeakPolarHBondContact O-CG 3.41Å; V322-L326 PolarHBondContact O-N 2.93Å; V322-V367 HydrophobicContact CG1-CB 4.38Å; V322-V367 HydrophobicContact CG1-CG1 4.1Å; V322-M393 HydrophobicContact CG2-CB 4.38Å; V322-M393 HydrophobicContact CG2-CE 4.14Å; V322-M393 HydrophobicContact CG2-CG 4.18Å
323	C	98.5	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-45.2	179.4	-69.9	0	0	0	0	111.5	Y315 G319 A325 R327 V333 Y351	Y315-C323 HydrophobicContact CE2-CB 3.79Å; G319-C323 WeakPolarHBondContact O-CB 3.38Å; G319-C323 PolarHBondContact O-N 3.31Å; G319-C323 PolarHBondContact O-SG 3.49Å; C323-A325 VanDerWaalsContact C-N 3.34Å; C323-A325 PolarHBondContact O-N 2.99Å; C323-R327 WeakPolarHBondContact O-CB 3.41Å; C323-R327 PolarHBondContact O-N 3.01Å; C323-V333 HydrophobicContact CB-CG1 4.14Å; C323-Y351 HydrophobicContact CB-CE1 4.06Å; C323-Y351 HydrophobicContact CB-CE2 4.01Å; C323-Y351 PolarHBondContact O-OH 2.79Å
324	Q	97.8	Very high	97.3	Very high	85 Å²	85	33.5 Å²	33.5	40%	0.397	20%	0.195	S	C	.	.	H	α-helix	trans	-62.6	-41.4	179.6	-166.1	-178.9	24.2	0	0	111.9	F286 K320 G321 V322 G328	F286-Q324 VanDerWaalsContact CZ-OE1 3.26Å; K320-Q324 WeakPolarHBondContact O-CB 3.35Å; K320-Q324 PolarHBondContact O-N 2.98Å; G321-Q324 PolarHBondContact O-N 3.18Å; V322-Q324 VanDerWaalsContact C-N 3.35Å; V322-Q324 PolarHBondContact O-N 3.33Å; Q324-G328 PolarHBondContact O-N 2.85Å
325	A	97.6	Very high	97.3	Very high	10 Å²	10	33.3 Å²	33.3	8%	0.083	19%	0.193	C	C	.	.	H	α-helix	trans	-63.9	-52.8	178.6	0	0	0	0	0	112.3	K290 I293 V294 G321 V322 C323 R327 G328 L329	K290-A325 HydrophobicContact CG-CB 3.92Å; K290-A325 WeakPolarHBondContact O-CB 3.29Å; I293-A325 HydrophobicContact CG2-CB 3.73Å; V294-A325 HydrophobicContact CG2-CB 3.91Å; G321-A325 WeakPolarHBondContact O-CB 3.45Å; G321-A325 PolarHBondContact O-N 3.13Å; V322-A325 PolarHBondContact O-N 3.23Å; C323-A325 VanDerWaalsContact C-N 3.34Å; C323-A325 PolarHBondContact O-N 2.99Å; A325-R327 PolarHBondContact O-N 3.45Å; A325-G328 WeakPolarHBondContact O-CA 3.31Å; A325-G328 PolarHBondContact O-N 3.07Å; A325-G328 VanDerWaalsContact O-N 3.11Å; A325-L329 PolarHBondContact O-N 3.45Å; A325-L329 VanDerWaalsContact O-N 3.14Å
326	L	98.3	Very high	97.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.9	-37.4	-175.3	-62.1	-179.8	0	0	0	111.9	I293 L297 I305 V310 V322 G328 L329 G330 A331 V333 V367	I293-L326 HydrophobicContact CG1-CD1 4.24Å; I293-L326 HydrophobicContact CG1-CD2 4.21Å; I293-L326 HydrophobicContact CG1-CG 4.37Å; L297-L326 HydrophobicContact CD1-CD2 3.72Å; I305-L326 HydrophobicContact CD1-CD2 4.29Å; I305-L326 HydrophobicContact CG2-CD2 4.01Å; V310-L326 HydrophobicContact CG1-CD1 3.73Å; V310-L326 HydrophobicContact CG2-CD1 4.39Å; V322-L326 HydrophobicContact CG1-CD1 3.84Å; V322-L326 HydrophobicContact CG1-CG 4.45Å; V322-L326 WeakPolarHBondContact O-CG 3.41Å; V322-L326 PolarHBondContact O-N 2.93Å; L326-G328 VanDerWaalsContact C-N 3.32Å; L326-G328 PolarHBondContact O-N 2.83Å; L326-L329 PolarHBondContact O-N 2.93Å; L326-G330 PolarHBondContact O-N 2.99Å; L326-A331 HydrophobicContact CB-CB 4.22Å; L326-A331 WeakPolarHBondContact O-CB 3.42Å; L326-A331 PolarHBondContact O-N 3.14Å; L326-V333 HydrophobicContact CB-CG2 4.03Å; L326-V367 HydrophobicContact CD1-CG2 4.34Å
327	R	98.1	Very high	97.6	Very high	126 Å²	126	34.6 Å²	34.6	48%	0.475	19%	0.193	S	C	.	.	H	α-helix	trans	-62.1	-40.3	170.3	-176.8	178.9	177.6	178.5	0.7	111.6	C323 A325 L329 G330 V333 D349 Y351	C323-R327 WeakPolarHBondContact O-CB 3.41Å; C323-R327 PolarHBondContact O-N 3.01Å; A325-R327 PolarHBondContact O-N 3.45Å; R327-L329 PolarHBondContact O-N 3.11Å; R327-G330 PolarHBondContact O-N 3.39Å; R327-V333 HydrophobicContact CB-CG2 4.36Å; R327-D349 PolarHBondContact NH1-O 3.13Å; R327-Y351 HydrophobicContact CB-CE1 4.15Å; R327-Y351 WeakPolarHBondContact CD-OH 3.5Å; R327-Y351 HydrophobicContact CG-CE1 4.43Å
328	G	97.7	Very high	97.8	Very high	70 Å²	70	39.7 Å²	39.7	72%	0.722	22%	0.22	S	C	*	.	H	α-helix	trans	-59.9	-29.6	175.9	0	0	0	0	0	113.6	Q324 A325 L326 G330	Q324-G328 PolarHBondContact O-N 2.85Å; A325-G328 WeakPolarHBondContact O-CA 3.31Å; A325-G328 PolarHBondContact O-N 3.07Å; A325-G328 VanDerWaalsContact O-N 3.11Å; L326-G328 VanDerWaalsContact C-N 3.32Å; L326-G328 PolarHBondContact O-N 2.83Å; G328-G330 VanDerWaalsContact C-N 3.3Å
329	L	97.6	Very high	98.1	Very high	68 Å²	68	41.6 Å²	41.6	36%	0.356	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	1.7	173.2	-65.8	177	0	0	0	114.1	V294 I305 S306 A325 L326 R327	V294-L329 HydrophobicContact CB-CD1 4.26Å; V294-L329 HydrophobicContact CG1-CD1 3.69Å; V294-L329 HydrophobicContact CG2-CD1 3.68Å; I305-L329 HydrophobicContact CB-CB 4.38Å; I305-L329 HydrophobicContact CB-CD1 4.26Å; I305-L329 HydrophobicContact CD1-CD1 3.65Å; I305-L329 HydrophobicContact CG2-CB 3.92Å; I305-L329 HydrophobicContact CG2-CD1 4.1Å; S306-L329 VanDerWaalsContact CA-O 3.27Å; S306-L329 WeakPolarHBondContact CA-O 3.47Å; S306-L329 WeakPolarHBondContact CB-O 3.46Å; A325-L329 PolarHBondContact O-N 3.45Å; A325-L329 VanDerWaalsContact O-N 3.14Å; L326-L329 PolarHBondContact O-N 2.93Å; R327-L329 PolarHBondContact O-N 3.11Å
330	G	97.9	Very high	98.1	Very high	35 Å²	35	46.4 Å²	46.4	36%	0.361	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	19.7	179	0	0	0	0	0	115	G307 L326 R327 G328	G307-G330 PolarHBondContact N-O 3.18Å; L326-G330 PolarHBondContact O-N 2.99Å; R327-G330 PolarHBondContact O-N 3.39Å; G328-G330 VanDerWaalsContact C-N 3.3Å
331	A	98.5	Very high	98.2	Very high	8 Å²	8	50.5 Å²	50.5	7%	0.066	28%	0.282	C	S	.	.			trans	-78	148.6	172.5	0	0	0	0	0	112.3	I305 K308 V310 L326 V333	I305-A331 HydrophobicContact CG2-CB 3.93Å; K308-A331 CarbonylContact O-C 3.23Å; K308-A331 WeakPolarHBondContact O-CA 3.29Å; V310-A331 HydrophobicContact CG2-CB 3.78Å; L326-A331 HydrophobicContact CB-CB 4.22Å; L326-A331 WeakPolarHBondContact O-CB 3.42Å; L326-A331 PolarHBondContact O-N 3.14Å; A331-V333 HydrophobicContact CB-CG2 4.27Å; A331-V333 PolarHBondContact O-N 2.92Å
332	F	98.4	Very high	98.3	Very high	139 Å²	139	51.4 Å²	51.4	61%	0.61	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	98.7	169.1	-63.5	-77	0	0	0	109.5	K308 T309 V310	K308-F332 PolarHBondContact O-N 2.94Å; T309-F332 CarbonylContact C-O 3.59Å; T309-F332 WeakPolarHBondContact CA-O 3.43Å; V310-F332 PolarHBondContact N-O 3.21Å
333	V	98.7	Very high	98.3	Very high	16 Å²	16	52.3 Å²	52.3	10%	0.097	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.3	-175.4	-176.8	0	0	0	0	110.9	V310 V312 C323 L326 R327 A331 Y351	V310-V333 HydrophobicContact CB-CG2 4.39Å; V310-V333 WeakPolarHBondContact O-CA 3.47Å; V312-V333 HydrophobicContact CG2-CG1 3.85Å; C323-V333 HydrophobicContact CB-CG1 4.14Å; L326-V333 HydrophobicContact CB-CG2 4.03Å; R327-V333 HydrophobicContact CB-CG2 4.36Å; A331-V333 HydrophobicContact CB-CG2 4.27Å; A331-V333 PolarHBondContact O-N 2.92Å; V333-Y351 HydrophobicContact CB-CD1 3.83Å; V333-Y351 HydrophobicContact CB-CE1 3.8Å; V333-Y351 HydrophobicContact CG1-CD1 3.99Å; V333-Y351 HydrophobicContact CG1-CE1 4.06Å; V333-Y351 HydrophobicContact CG2-CE1 4.44Å
334	C	98.5	Very high	98.3	Very high	11 Å²	11	57.6 Å²	57.6	7%	0.074	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	156.3	167.5	64.7	0	0	0	0	110	V310 V312 R352 V354	V310-C334 PolarHBondContact O-N 3.1Å; V310-C334 PolarHBondContact O-SG 3.2Å; V310-C334 VanDerWaalsContact O-SG 3.32Å; V312-C334 PolarHBondContact N-O 3.07Å; C334-R352 WeakPolarHBondContact CA-O 3.4Å; C334-V354 HydrophobicContact CB-CG1 4.46Å; C334-V354 HydrophobicContact CB-CG2 4.05Å
335	I	98.8	Very high	98.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.9	-168.9	-68.7	161.3	0	0	0	110.5	V312 Y315 E337 A346 Y351 R352 V353 V354	V312-I335 CarbonylContact O-C 3.55Å; V312-I335 VanDerWaalsContact O-CA 3.24Å; V312-I335 WeakPolarHBondContact O-CA 3.48Å; Y315-I335 HydrophobicContact CD2-CD1 3.29Å; Y315-I335 HydrophobicContact CD2-CG1 4.09Å; Y315-I335 HydrophobicContact CD2-CG2 4.44Å; Y315-I335 HydrophobicContact CE2-CD1 3.39Å; Y315-I335 HydrophobicContact CE2-CG1 4.49Å; Y315-I335 HydrophobicContact CG-CD1 3.97Å; Y315-I335 HydrophobicContact CG-CG2 4.43Å; I335-E337 HydrophobicContact CG2-CB 4.42Å; I335-E337 HydrophobicContact CG2-CG 4.16Å; I335-A346 HydrophobicContact CD1-CB 3.49Å; I335-A346 VanDerWaalsContact CD1-CB 3.49Å; I335-A346 HydrophobicContact CG2-CB 4.35Å; I335-Y351 VanDerWaalsContact CD1-CB 3.42Å; I335-Y351 HydrophobicContact CD1-CD1 4.39Å; I335-Y351 HydrophobicContact CD1-CD2 3.74Å; I335-Y351 HydrophobicContact CD1-CG 3.59Å; I335-R352 PolarHBondContact N-O 3.29Å; I335-V353 CarbonylContact O-C 3.53Å; I335-V353 VanDerWaalsContact O-CA 3.28Å; I335-V353 WeakPolarHBondContact O-CA 3.43Å; I335-V354 PolarHBondContact O-N 3.26Å
336	S	98.7	Very high	98.4	Very high	15 Å²	15	57.1 Å²	57.1	11%	0.105	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.6	158.9	66.6	0	0	0	0	110.1	V312 C313 G314	V312-S336 PolarHBondContact O-N 3.46Å; C313-S336 WeakPolarHBondContact CA-OG 3.45Å; C313-S336 WeakPolarHBondContact CB-OG 3.43Å; C313-S336 PolarHBondContact SG-OG 3.34Å; C313-S336 VanDerWaalsContact SG-OG 3.41Å; G314-S336 PolarHBondContact N-O 3.01Å
337	E	98.6	Very high	98.4	Very high	46 Å²	46	60.3 Å²	60.3	22%	0.215	34%	0.341	C	S	.	.			trans	-145.6	146.2	-180	-108.6	-65.4	-177.9	0	0	110.8	Y315 I335 D339 C342 A343	Y315-E337 WeakPolarHBondContact CA-OE1 3.39Å; Y315-E337 PolarHBondContact N-OE1 3.02Å; I335-E337 HydrophobicContact CG2-CB 4.42Å; I335-E337 HydrophobicContact CG2-CG 4.16Å; E337-D339 PolarHBondContact OE2-N 2.85Å; E337-C342 VanDerWaalsContact CD-CB 3.49Å; E337-C342 HydrophobicContact CG-CB 3.92Å; E337-C342 WeakPolarHBondContact OE1-CB 3.49Å; E337-A343 HydrophobicContact CB-CB 3.93Å
338	I	98.1	Very high	98.4	Very high	155 Å²	155	61.4 Å²	61.4	80%	0.795	35%	0.353	S	S	*	.	S	Bend	trans	-101.3	-27	172.6	61.7	166.8	0	0	0	111.6
339	D	98.3	Very high	98.5	Very high	67 Å²	67	61.7 Å²	61.7	36%	0.358	34%	0.338	S	S	.	.			trans	-87.2	119	180	-173.6	-36.6	0	0	0	109.7	E337 I341 C342 A343	E337-D339 PolarHBondContact OE2-N 2.85Å; D339-I341 PolarHBondContact O-N 2.72Å; D339-I341 WeakPolarHBondContact OD1-CA 3.48Å; D339-I341 VanDerWaalsContact OD1-CB 3.32Å; D339-I341 WeakPolarHBondContact OD1-CB 3.25Å; D339-I341 PolarHBondContact OD1-N 2.94Å; D339-C342 HydrophobicContact CB-CB 4.1Å; D339-C342 PolarHBondContact O-N 2.85Å; D339-A343 WeakPolarHBondContact O-CB 3.22Å; D339-A343 PolarHBondContact O-N 3.48Å
340	P	98.5	Very high	98.5	Very high	101 Å²	101	61 Å²	61	66%	0.656	35%	0.348	S	S	*	.	H	α-helix	trans	-63.8	-26.7	-178.3	26.4	-34.8	0	0	0	113.5	L344	P340-L344 VanDerWaalsContact O-CB 3.24Å; P340-L344 WeakPolarHBondContact O-CB 2.97Å; P340-L344 PolarHBondContact O-N 3.12Å
341	I	98.5	Very high	98.5	Very high	108 Å²	108	60.3 Å²	60.3	55%	0.554	33%	0.334	S	S	*	.	H	α-helix	trans	-70	-48.7	176.5	-61	173.2	0	0	0	109.2	D339 L344 Q345	D339-I341 PolarHBondContact O-N 2.72Å; D339-I341 WeakPolarHBondContact OD1-CA 3.48Å; D339-I341 VanDerWaalsContact OD1-CB 3.32Å; D339-I341 WeakPolarHBondContact OD1-CB 3.25Å; D339-I341 PolarHBondContact OD1-N 2.94Å; I341-L344 PolarHBondContact O-N 2.96Å; I341-Q345 WeakPolarHBondContact O-CG 3.31Å; I341-Q345 PolarHBondContact O-N 3.4Å
342	C	98.4	Very high	98.5	Very high	20 Å²	20	68 Å²	68	14%	0.135	36%	0.362	C	S	.	.	H	α-helix	trans	-63.9	-42.1	176.8	-67.4	0	0	0	0	111.5	Y315 E337 D339 L344 Q345 A346	Y315-C342 WeakPolarHBondContact CD1-O 3.49Å; E337-C342 VanDerWaalsContact CD-CB 3.49Å; E337-C342 HydrophobicContact CG-CB 3.92Å; E337-C342 WeakPolarHBondContact OE1-CB 3.49Å; D339-C342 HydrophobicContact CB-CB 4.1Å; D339-C342 PolarHBondContact O-N 2.85Å; C342-L344 PolarHBondContact O-N 3.36Å; C342-Q345 PolarHBondContact O-N 3.39Å; C342-A346 PolarHBondContact O-N 2.95Å
343	A	98.7	Very high	98.5	Very high	18 Å²	18	63.6 Å²	63.6	15%	0.149	35%	0.346	C	S	.	.	H	α-helix	trans	-60.7	-43	174.8	0	0	0	0	0	112.1	E337 D339 A346 C347 V353	E337-A343 HydrophobicContact CB-CB 3.93Å; D339-A343 WeakPolarHBondContact O-CB 3.22Å; D339-A343 PolarHBondContact O-N 3.48Å; A343-A346 WeakPolarHBondContact O-CB 3.5Å; A343-A346 PolarHBondContact O-N 2.82Å; A343-C347 PolarHBondContact O-N 3.12Å; A343-C347 PolarHBondContact O-SG 2.95Å; A343-V353 HydrophobicContact CB-CG1 4.23Å; A343-V353 HydrophobicContact CB-CG2 4.28Å; A343-V353 WeakPolarHBondContact O-CG2 3.37Å
344	L	98.8	Very high	98.5	Very high	112 Å²	112	63.4 Å²	63.4	59%	0.586	35%	0.345	S	S	*	.	H	α-helix	trans	-63.8	-43.3	176	-178.4	60.3	0	0	0	111.1	P340 I341 C342 A346 C347 M348	P340-L344 VanDerWaalsContact O-CB 3.24Å; P340-L344 WeakPolarHBondContact O-CB 2.97Å; P340-L344 PolarHBondContact O-N 3.12Å; I341-L344 PolarHBondContact O-N 2.96Å; C342-L344 PolarHBondContact O-N 3.36Å; L344-A346 VanDerWaalsContact C-N 3.34Å; L344-A346 PolarHBondContact O-N 3.42Å; L344-C347 PolarHBondContact O-N 2.85Å; L344-M348 HydrophobicContact CD1-CG 4.33Å; L344-M348 HydrophobicContact CG-CG 4.46Å; L344-M348 VanDerWaalsContact O-CG 3.25Å; L344-M348 WeakPolarHBondContact O-CG 3.17Å; L344-M348 PolarHBondContact O-N 2.48Å
345	Q	98.6	Very high	98.5	Very high	85 Å²	85	69.7 Å²	69.7	40%	0.397	37%	0.371	S	S	.	.	H	α-helix	trans	-58.4	-45.3	174.1	-70.7	-174.5	-62.7	0	0	111.8	Y315 I341 C342 C347 M348 D349	Y315-Q345 HydrophobicContact CD1-CB 4.4Å; Y315-Q345 HydrophobicContact CE1-CB 4.21Å; I341-Q345 WeakPolarHBondContact O-CG 3.31Å; I341-Q345 PolarHBondContact O-N 3.4Å; C342-Q345 PolarHBondContact O-N 3.39Å; Q345-C347 VanDerWaalsContact C-N 3.33Å; Q345-C347 PolarHBondContact O-N 3.34Å; Q345-M348 PolarHBondContact O-N 3.3Å; Q345-M348 VanDerWaalsContact O-N 3.13Å; Q345-D349 WeakPolarHBondContact O-CB 3.49Å; Q345-D349 VanDerWaalsContact O-CG 3.32Å; Q345-D349 PolarHBondContact O-N 3.24Å
346	A	98.7	Very high	98.5	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-55.9	-46.7	176	0	0	0	0	0	112.3	Y315 I335 C342 A343 L344 D349 G350 Y351 V353	Y315-A346 HydrophobicContact CD1-CB 3.59Å; Y315-A346 HydrophobicContact CD2-CB 4.35Å; Y315-A346 VanDerWaalsContact CE1-CA 3.41Å; Y315-A346 HydrophobicContact CE1-CB 3.78Å; Y315-A346 HydrophobicContact CE2-CB 4.48Å; Y315-A346 HydrophobicContact CG-CB 3.89Å; I335-A346 HydrophobicContact CD1-CB 3.49Å; I335-A346 VanDerWaalsContact CD1-CB 3.49Å; I335-A346 HydrophobicContact CG2-CB 4.35Å; C342-A346 PolarHBondContact O-N 2.95Å; A343-A346 WeakPolarHBondContact O-CB 3.5Å; A343-A346 PolarHBondContact O-N 2.82Å; L344-A346 VanDerWaalsContact C-N 3.34Å; L344-A346 PolarHBondContact O-N 3.42Å; A346-D349 PolarHBondContact O-N 2.92Å; A346-G350 PolarHBondContact O-N 2.96Å; A346-Y351 WeakPolarHBondContact O-CB 3.45Å; A346-Y351 PolarHBondContact O-N 3.09Å; A346-V353 HydrophobicContact CB-CG2 3.72Å
347	C	98.6	Very high	98.5	Very high	66 Å²	66	74.9 Å²	74.9	45%	0.446	40%	0.397	S	S	.	.	H	α-helix	trans	-60.8	-44	175.2	-72.1	0	0	0	0	112	A343 L344 Q345 D349 G350 Y351 V353	A343-C347 PolarHBondContact O-N 3.12Å; A343-C347 PolarHBondContact O-SG 2.95Å; L344-C347 PolarHBondContact O-N 2.85Å; Q345-C347 VanDerWaalsContact C-N 3.33Å; Q345-C347 PolarHBondContact O-N 3.34Å; C347-D349 VanDerWaalsContact C-N 3.31Å; C347-D349 PolarHBondContact O-N 3.02Å; C347-G350 WeakPolarHBondContact O-CA 3.42Å; C347-G350 PolarHBondContact O-N 3.45Å; C347-Y351 WeakPolarHBondContact CA-O 3.29Å; C347-V353 VanDerWaalsContact SG-CG2 3.59Å
348	M	98.5	Very high	98.4	Very high	150 Å²	150	78.4 Å²	78.4	74%	0.739	41%	0.414	S	S	*	.	H	α-helix	trans	-68.2	-29.1	179.6	-66.1	-58.1	-66.5	0	0	112.9	L344 Q345 G350	L344-M348 HydrophobicContact CD1-CG 4.33Å; L344-M348 HydrophobicContact CG-CG 4.46Å; L344-M348 VanDerWaalsContact O-CG 3.25Å; L344-M348 WeakPolarHBondContact O-CG 3.17Å; L344-M348 PolarHBondContact O-N 2.48Å; Q345-M348 PolarHBondContact O-N 3.3Å; Q345-M348 VanDerWaalsContact O-N 3.13Å; M348-G350 PolarHBondContact O-N 2.9Å
349	D	98.3	Very high	98.4	Very high	76 Å²	76	71.9 Å²	71.9	41%	0.406	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.4	171.9	-68.4	-27	0	0	0	112.5	Y315 R327 Q345 A346 C347 Y351	Y315-D349 WeakPolarHBondContact CE1-OD2 3.48Å; Y315-D349 WeakPolarHBondContact OH-CB 3.25Å; Y315-D349 PolarHBondContact OH-OD2 3.15Å; R327-D349 PolarHBondContact NH1-O 3.13Å; Q345-D349 WeakPolarHBondContact O-CB 3.49Å; Q345-D349 VanDerWaalsContact O-CG 3.32Å; Q345-D349 PolarHBondContact O-N 3.24Å; A346-D349 PolarHBondContact O-N 2.92Å; C347-D349 VanDerWaalsContact C-N 3.31Å; C347-D349 PolarHBondContact O-N 3.02Å; D349-Y351 HydrophobicContact CB-CD2 3.8Å; D349-Y351 HydrophobicContact CB-CE2 3.78Å
350	G	98.2	Very high	98.5	Very high	54 Å²	54	68.7 Å²	68.7	56%	0.557	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	19.1	175.6	0	0	0	0	0	114.7	A346 C347 M348	A346-G350 PolarHBondContact O-N 2.96Å; C347-G350 WeakPolarHBondContact O-CA 3.42Å; C347-G350 PolarHBondContact O-N 3.45Å; M348-G350 PolarHBondContact O-N 2.9Å
351	Y	98.5	Very high	98.4	Very high	19 Å²	19	71.9 Å²	71.9	8%	0.075	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-94.5	149.3	172.8	-58.8	-72.2	0	0	0	111.4	Y315 C323 R327 V333 I335 A346 C347 D349	Y315-Y351 HydrophobicContact CE2-CD2 4.07Å; Y315-Y351 HydrophobicContact CE2-CE2 4.1Å; Y315-Y351 AromaticContact CZ-CD2 3.96Å; Y315-Y351 AromaticContact CZ-CE2 3.99Å; Y315-Y351 WeakPolarHBondContact OH-CD2 3.46Å; Y315-Y351 WeakPolarHBondContact OH-CE2 3.35Å; C323-Y351 HydrophobicContact CB-CE1 4.06Å; C323-Y351 HydrophobicContact CB-CE2 4.01Å; C323-Y351 PolarHBondContact O-OH 2.79Å; R327-Y351 HydrophobicContact CB-CE1 4.15Å; R327-Y351 WeakPolarHBondContact CD-OH 3.5Å; R327-Y351 HydrophobicContact CG-CE1 4.43Å; V333-Y351 HydrophobicContact CB-CD1 3.83Å; V333-Y351 HydrophobicContact CB-CE1 3.8Å; V333-Y351 HydrophobicContact CG1-CD1 3.99Å; V333-Y351 HydrophobicContact CG1-CE1 4.06Å; V333-Y351 HydrophobicContact CG2-CE1 4.44Å; I335-Y351 VanDerWaalsContact CD1-CB 3.42Å; I335-Y351 HydrophobicContact CD1-CD1 4.39Å; I335-Y351 HydrophobicContact CD1-CD2 3.74Å; I335-Y351 HydrophobicContact CD1-CG 3.59Å; A346-Y351 WeakPolarHBondContact O-CB 3.45Å; A346-Y351 PolarHBondContact O-N 3.09Å; C347-Y351 WeakPolarHBondContact CA-O 3.29Å; D349-Y351 HydrophobicContact CB-CD2 3.8Å; D349-Y351 HydrophobicContact CB-CE2 3.78Å
352	R	98.4	Very high	98.4	Very high	170 Å²	170	70 Å²	70	64%	0.642	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	120.9	171.6	-170.2	-177	166.3	-180	-8.3	109.4	C334 I335 V354	C334-R352 WeakPolarHBondContact CA-O 3.4Å; I335-R352 PolarHBondContact N-O 3.29Å; R352-V354 HydrophobicContact CB-CG1 4.42Å; R352-V354 HydrophobicContact CG-CG1 3.68Å
353	V	98.7	Very high	98.4	Very high	47 Å²	47	69.1 Å²	69.1	29%	0.285	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	128.6	167.4	-178.2	0	0	0	0	109	I335 A343 A346 C347	I335-V353 CarbonylContact O-C 3.53Å; I335-V353 VanDerWaalsContact O-CA 3.28Å; I335-V353 WeakPolarHBondContact O-CA 3.43Å; A343-V353 HydrophobicContact CB-CG1 4.23Å; A343-V353 HydrophobicContact CB-CG2 4.28Å; A343-V353 WeakPolarHBondContact O-CG2 3.37Å; A346-V353 HydrophobicContact CB-CG2 3.72Å; C347-V353 VanDerWaalsContact SG-CG2 3.59Å
354	V	98.7	Very high	98.4	Very high	11 Å²	11	69.6 Å²	69.6	7%	0.067	35%	0.354	C	S	.	.			trans	-138.1	160.5	-172.5	-62.4	0	0	0	0	110.8	L311 C334 I335 R352 V359	L311-V354 HydrophobicContact CD1-CG2 4.13Å; C334-V354 HydrophobicContact CB-CG1 4.46Å; C334-V354 HydrophobicContact CB-CG2 4.05Å; I335-V354 PolarHBondContact O-N 3.26Å; R352-V354 HydrophobicContact CB-CG1 4.42Å; R352-V354 HydrophobicContact CG-CG1 3.68Å; V354-V359 HydrophobicContact CB-CG1 4.12Å; V354-V359 HydrophobicContact CG1-CG1 4.15Å; V354-V359 HydrophobicContact CG2-CG1 3.99Å; V354-V359 HydrophobicContact CG2-CG2 3.8Å
355	K	98.5	Very high	98.4	Very high	143 Å²	143	64.3 Å²	64.3	62%	0.622	33%	0.326	S	S	*	.			trans	-80	146.3	162.6	-64.6	-179.2	179	179.2	0	109.6	D357 E358	K355-D357 VanDerWaalsContact C-N 3.31Å; K355-D357 PolarHBondContact O-N 2.81Å; K355-E358 HydrophobicContact CB-CG 4Å; K355-E358 PolarHBondContact N-OE2 3.45Å; K355-E358 WeakPolarHBondContact O-CB 3.47Å; K355-E358 PolarHBondContact O-N 2.78Å; K355-E358 VanDerWaalsContact O-N 3.16Å
356	I	98.6	Very high	98.4	Very high	25 Å²	25	60.2 Å²	60.2	13%	0.128	31%	0.307	C	S	.	.	H	α-helix	trans	-55.5	-48.9	179.1	-62.4	176.3	0	0	0	110.1	L311 E358 V359 I360 V375 I376	L311-I356 HydrophobicContact CD2-CB 4.47Å; L311-I356 HydrophobicContact CD2-CG1 4.28Å; L311-I356 HydrophobicContact CD2-CG2 4.09Å; I356-E358 PolarHBondContact O-N 2.83Å; I356-E358 VanDerWaalsContact O-N 3.09Å; I356-V359 PolarHBondContact O-N 3.01Å; I356-V359 VanDerWaalsContact O-N 3.1Å; I356-I360 HydrophobicContact CG2-CB 4.28Å; I356-I360 HydrophobicContact CG2-CD1 4.02Å; I356-I360 HydrophobicContact CG2-CG1 4.35Å; I356-I360 WeakPolarHBondContact O-CB 3.43Å; I356-I360 PolarHBondContact O-N 3.41Å; I356-V375 HydrophobicContact CD1-CG1 3.98Å; I356-V375 WeakPolarHBondContact CD1-O 3.19Å; I356-I376 HydrophobicContact CD1-CD1 4.27Å; I356-I376 HydrophobicContact CG2-CD1 4.16Å
357	D	98.2	Very high	98.4	Very high	100 Å²	100	60.2 Å²	60.2	54%	0.535	31%	0.307	S	S	.	.	H	α-helix	trans	-57.4	-26.4	-178.8	-64.3	-46.4	0	0	0	114.5	K355 H380	K355-D357 VanDerWaalsContact C-N 3.31Å; K355-D357 PolarHBondContact O-N 2.81Å; D357-H380 IonicContact OD1-CD2 2.76Å; D357-H380 PolarHBondContact OD1-CD2 3.17Å; D357-H380 IonicContact OD1-NE2 2.75Å; D357-H380 PolarHBondContact OD1-NE2 2.96Å
358	E	97.7	Very high	98.4	Very high	119 Å²	119	57.1 Å²	57.1	56%	0.556	29%	0.285	S	S	*	.	H	α-helix	trans	-74.3	-26.5	-178.8	-68.5	170.6	-175.9	0	0	112.7	K355 I356	K355-E358 HydrophobicContact CB-CG 4Å; K355-E358 PolarHBondContact N-OE2 3.45Å; K355-E358 WeakPolarHBondContact O-CB 3.47Å; K355-E358 PolarHBondContact O-N 2.78Å; K355-E358 VanDerWaalsContact O-N 3.16Å; I356-E358 PolarHBondContact O-N 2.83Å; I356-E358 VanDerWaalsContact O-N 3.09Å
359	V	98.1	Very high	98.2	Very high	18 Å²	18	50.4 Å²	50.4	11%	0.109	25%	0.253	C	S	.	.	H	α-helix	trans	-124.1	-15.4	-169.5	-60	0	0	0	0	114	L311 V354 I356 R361 S362 V363	L311-V359 HydrophobicContact CD1-CG2 4.11Å; L311-V359 HydrophobicContact CD2-CG2 4.14Å; V354-V359 HydrophobicContact CB-CG1 4.12Å; V354-V359 HydrophobicContact CG1-CG1 4.15Å; V354-V359 HydrophobicContact CG2-CG1 3.99Å; V354-V359 HydrophobicContact CG2-CG2 3.8Å; I356-V359 PolarHBondContact O-N 3.01Å; I356-V359 VanDerWaalsContact O-N 3.1Å; V359-R361 PolarHBondContact O-N 3.33Å; V359-S362 PolarHBondContact O-N 2.92Å; V359-S362 PolarHBondContact O-OG 2.79Å; V359-S362 VanDerWaalsContact O-OG 3.08Å; V359-V363 HydrophobicContact CB-CG1 4.12Å; V359-V363 HydrophobicContact CG2-CG1 4.14Å; V359-V363 WeakPolarHBondContact O-CG1 3.36Å; V359-V363 PolarHBondContact O-N 2.83Å
360	I	98.4	Very high	98	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.5	-170.3	-163	61.6	0	0	0	114.3	L311 I356 S362 V363 V366 H380 Q383 M384	L311-I360 HydrophobicContact CD2-CD1 4.29Å; I356-I360 HydrophobicContact CG2-CB 4.28Å; I356-I360 HydrophobicContact CG2-CD1 4.02Å; I356-I360 HydrophobicContact CG2-CG1 4.35Å; I356-I360 WeakPolarHBondContact O-CB 3.43Å; I356-I360 PolarHBondContact O-N 3.41Å; I360-S362 VanDerWaalsContact C-N 3.34Å; I360-S362 PolarHBondContact O-N 3.09Å; I360-V363 HydrophobicContact CD1-CG2 4.43Å; I360-V366 HydrophobicContact CD1-CG2 4.11Å; I360-H380 HydrophobicContact CD1-CB 4.33Å; I360-H380 HydrophobicContact CG1-CB 3.98Å; I360-H380 WeakPolarHBondContact CG1-O 3.48Å; I360-Q383 HydrophobicContact CG2-CB 4.06Å; I360-M384 HydrophobicContact CD1-CE 3.51Å; I360-M384 HydrophobicContact CD1-CG 4.06Å; I360-M384 HydrophobicContact CG1-CE 4.23Å; I360-M384 HydrophobicContact CG1-CG 3.95Å
361	R	98.3	Very high	97.5	Very high	169 Å²	169	49.1 Å²	49.1	64%	0.638	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-23.6	179.4	-65.8	179.3	-179.4	-132.9	-0.4	114	V359 Q383	V359-R361 PolarHBondContact O-N 3.33Å; R361-Q383 WeakPolarHBondContact CA-O 3.07Å; R361-Q383 HydrophobicContact CG-CB 3.99Å; R361-Q383 WeakPolarHBondContact CG-O 3.39Å; R361-Q383 VanDerWaalsContact CZ-OE1 3.3Å
362	S	97.5	Very high	97.1	Very high	69 Å²	69	52.6 Å²	52.6	48%	0.483	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-19	-169.6	62	0	0	0	0	114.3	V359 I360 K385	V359-S362 PolarHBondContact O-N 2.92Å; V359-S362 PolarHBondContact O-OG 2.79Å; V359-S362 VanDerWaalsContact O-OG 3.08Å; I360-S362 VanDerWaalsContact C-N 3.34Å; I360-S362 PolarHBondContact O-N 3.09Å; S362-K385 PolarHBondContact O-NZ 3.47Å
363	V	98.4	Very high	96.7	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.			trans	-66.4	144.2	-178.6	-61.3	0	0	0	0	112.8	T309 L311 V359 I360 V366 K385	T309-V363 HydrophobicContact CG2-CG1 3.92Å; L311-V363 HydrophobicContact CB-CB 4.43Å; L311-V363 HydrophobicContact CB-CG1 3.95Å; L311-V363 HydrophobicContact CB-CG2 4.42Å; V359-V363 HydrophobicContact CB-CG1 4.12Å; V359-V363 HydrophobicContact CG2-CG1 4.14Å; V359-V363 WeakPolarHBondContact O-CG1 3.36Å; V359-V363 PolarHBondContact O-N 2.83Å; I360-V363 HydrophobicContact CD1-CG2 4.43Å; V363-V366 HydrophobicContact CG2-CG2 3.59Å; V363-K385 WeakPolarHBondContact O-CE 3.24Å
364	D	98.6	Very high	96.5	Very high	29 Å²	29	51.3 Å²	51.3	16%	0.155	27%	0.272	C	S	.	.	S	Bend	trans	-86.3	-36.7	175.4	-64.4	-79.7	0	0	0	111.9	K308 T309 K385 C388 V389	K308-D364 HydrophobicContact CB-CB 3.91Å; K308-D364 HydrophobicContact CD-CB 3.87Å; K308-D364 HydrophobicContact CG-CB 4.3Å; K308-D364 IonicContact NZ-OD1 2.73Å; T309-D364 PolarHBondContact N-OD2 3.15Å; T309-D364 WeakPolarHBondContact O-CB 3.43Å; T309-D364 PolarHBondContact O-N 2.91Å; D364-K385 WeakPolarHBondContact OD1-CE 3.45Å; D364-K385 IonicContact OD1-NZ 3.48Å; D364-K385 PolarHBondContact OD1-NZ 2.91Å; D364-K385 IonicContact OD2-NZ 3.81Å; D364-K385 PolarHBondContact OD2-NZ 3.15Å; D364-C388 WeakPolarHBondContact O-CA 3.33Å; D364-C388 PolarHBondContact O-SG 3.38Å; D364-V389 PolarHBondContact O-N 3.28Å
365	I	98.6	Very high	96.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.5	-175.2	-50.4	176.3	0	0	0	108.7	L297 M303 T309 V310 L311 V367 V389	L297-I365 HydrophobicContact CD1-CD1 4.3Å; L297-I365 HydrophobicContact CD2-CG2 4.24Å; M303-I365 HydrophobicContact SD-CD1 3.6Å; M303-I365 VanDerWaalsContact SD-CD1 3.6Å; M303-I365 HydrophobicContact SD-CG1 3.94Å; T309-I365 PolarHBondContact O-N 2.85Å; V310-I365 CarbonylContact C-O 3.5Å; V310-I365 WeakPolarHBondContact CA-O 3.49Å; V310-I365 HydrophobicContact CB-CB 4.49Å; V310-I365 HydrophobicContact CG1-CB 4.16Å; V310-I365 HydrophobicContact CG1-CG2 4.33Å; V310-I365 HydrophobicContact CG2-CB 4.1Å; V310-I365 HydrophobicContact CG2-CD1 4.17Å; V310-I365 HydrophobicContact CG2-CG1 4.44Å; L311-I365 PolarHBondContact N-O 3.13Å; I365-V367 HydrophobicContact CG2-CG2 3.93Å; I365-V389 CarbonylContact C-O 3.58Å; I365-V389 WeakPolarHBondContact CA-O 3.37Å; I365-V389 HydrophobicContact CG1-CB 4.4Å; I365-V389 HydrophobicContact CG2-CB 4.37Å; I365-V389 HydrophobicContact CG2-CG1 4.44Å
366	V	98.7	Very high	96.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.8	170.6	-178.7	0	0	0	0	109.2	L311 I360 V363 I376 M384 V389 V390 C391	L311-V366 HydrophobicContact CB-CG2 4.33Å; L311-V366 HydrophobicContact CD2-CG1 4.42Å; L311-V366 WeakPolarHBondContact O-CA 3.49Å; I360-V366 HydrophobicContact CD1-CG2 4.11Å; V363-V366 HydrophobicContact CG2-CG2 3.59Å; V366-I376 HydrophobicContact CG1-CD1 3.66Å; V366-I376 HydrophobicContact CG1-CG1 3.81Å; V366-M384 HydrophobicContact CB-CE 4.38Å; V366-M384 HydrophobicContact CG2-CE 3.87Å; V366-V389 PolarHBondContact N-O 3.12Å; V366-V390 HydrophobicContact CB-CG1 4.46Å; V366-V390 WeakPolarHBondContact O-CA 3.42Å; V366-C391 PolarHBondContact O-N 3.41Å
367	V	98.5	Very high	96.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.7	177.6	-167.7	0	0	0	0	109.1	I293 V310 L311 V312 C313 V322 L326 I365 C391 M393	I293-V367 HydrophobicContact CD1-CG1 4.08Å; I293-V367 HydrophobicContact CD1-CG2 4.27Å; V310-V367 HydrophobicContact CG1-CG2 4.21Å; L311-V367 PolarHBondContact O-N 3.47Å; V312-V367 CarbonylContact C-O 3.54Å; V312-V367 WeakPolarHBondContact CA-O 3Å; V312-V367 HydrophobicContact CG2-CB 4.48Å; C313-V367 PolarHBondContact N-O 2.91Å; V322-V367 HydrophobicContact CG1-CB 4.38Å; V322-V367 HydrophobicContact CG1-CG1 4.1Å; L326-V367 HydrophobicContact CD1-CG2 4.34Å; I365-V367 HydrophobicContact CG2-CG2 3.93Å; V367-C391 WeakPolarHBondContact CA-O 3.42Å; V367-M393 HydrophobicContact CG1-CB 4.04Å; V367-M393 HydrophobicContact CG1-CG 3.49Å; V367-M393 VanDerWaalsContact CG1-CG 3.49Å
368	T	98.3	Very high	96.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.2	174.9	62.6	0	0	0	0	111.1	C313 V375 I376 C391 N392 M393 G394 E399 I400	C313-T368 HydrophobicContact CB-CG2 4.48Å; T368-V375 HydrophobicContact CG2-CB 4.38Å; T368-V375 HydrophobicContact CG2-CG1 4.26Å; T368-I376 HydrophobicContact CG2-CG1 3.59Å; T368-C391 PolarHBondContact N-O 3.33Å; T368-N392 PolarHBondContact O-OD1 2.79Å; T368-N392 WeakPolarHBondContact OG1-CA 3.39Å; T368-N392 WeakPolarHBondContact OG1-CB 3.27Å; T368-N392 PolarHBondContact OG1-OD1 3.4Å; T368-M393 PolarHBondContact O-N 3.36Å; T368-G394 PolarHBondContact O-N 3.47Å; T368-G394 VanDerWaalsContact O-N 3.13Å; T368-E399 VanDerWaalsContact CB-OE2 3.23Å; T368-E399 WeakPolarHBondContact CB-OE2 3.34Å; T368-E399 HydrophobicContact CG2-CB 4.3Å; T368-E399 WeakPolarHBondContact OG1-CB 3.38Å; T368-I400 HydrophobicContact CG2-CG1 4.06Å
369	C	95.7	Very high	96.4	Very high	10 Å²	10	40 Å²	40	7%	0.068	23%	0.228	C	C	.	.			trans	-137.8	27.9	-173.4	-56.8	0	0	0	0	111.8	C313 V318 E399	C313-C369 CarbonylContact O-C 3.6Å; C313-C369 WeakPolarHBondContact O-CA 3.45Å; C313-C369 WeakPolarHBondContact O-CB 3.31Å; C313-C369 PolarHBondContact O-N 3.39Å; V318-C369 HydrophobicContact CB-CB 4.3Å; V318-C369 HydrophobicContact CG1-CB 3.89Å; C369-E399 PolarHBondContact N-OE2 3.4Å
370	T	93.6	Very high	96.4	Very high	53 Å²	53	40.3 Å²	40.3	33%	0.325	23%	0.228	S	C	.	.	S	Bend	trans	-96.4	-24.8	-166	66.9	0	0	0	0	114.2	C313 N372 V375 E399	C313-T370 HydrophobicContact CB-CG2 4.01Å; C313-T370 WeakPolarHBondContact O-CG2 3.49Å; T370-N372 PolarHBondContact O-N 3.35Å; T370-N372 WeakPolarHBondContact OG1-CB 3.36Å; T370-N372 PolarHBondContact OG1-N 3.23Å; T370-V375 HydrophobicContact CG2-CG1 4.17Å; T370-V375 HydrophobicContact CG2-CG2 3.91Å; T370-V375 VanDerWaalsContact OG1-CG2 3.28Å; T370-V375 WeakPolarHBondContact OG1-CG2 3.23Å; T370-E399 WeakPolarHBondContact CB-OE2 3.45Å; T370-E399 PolarHBondContact N-OE2 2.92Å; T370-E399 PolarHBondContact OG1-OE2 3.35Å
371	G	87.2	Confident	96.4	Very high	50 Å²	50	40.3 Å²	40.3	52%	0.515	23%	0.228	S	C	.	.	S	Bend	trans	66.6	11.4	-165.8	0	0	0	0	0	114.3	E399	G371-E399 VanDerWaalsContact CA-OE1 3.25Å; G371-E399 WeakPolarHBondContact CA-OE1 3.36Å; G371-E399 PolarHBondContact N-OE1 2.9Å
372	N	89.9	Confident	96.3	Very high	91 Å²	91	35.6 Å²	35.6	49%	0.487	22%	0.215	S	C	.	.			trans	-101.6	-165.4	-176.1	-158.1	-3.9	0	0	0	111.5	T370 V375 T398 E399	T370-N372 PolarHBondContact O-N 3.35Å; T370-N372 WeakPolarHBondContact OG1-CB 3.36Å; T370-N372 PolarHBondContact OG1-N 3.23Å; N372-V375 HydrophobicContact CB-CG2 4.24Å; N372-T398 PolarHBondContact O-OG1 2.74Å; N372-E399 WeakPolarHBondContact O-CG 3.37Å
373	K	90.4	Very high	96.4	Very high	159 Å²	159	35.1 Å²	35.1	69%	0.691	21%	0.206	S	C	*	.	S	Bend	trans	-126.3	141.6	179.8	175.8	176.5	177	-173	0	111.4	V375 T398	K373-V375 VanDerWaalsContact C-N 3.31Å; K373-V375 PolarHBondContact O-N 2.89Å; K373-T398 CarbonylContact C-O 3.52Å; K373-T398 WeakPolarHBondContact CA-O 3.18Å
374	G	94.8	Very high	96.4	Very high	32 Å²	32	35.4 Å²	35.4	33%	0.33	21%	0.207	S	C	.	.			trans	64.6	33.7	171.8	0	0	0	0	0	113.6	T377 T398	G374-T377 WeakPolarHBondContact O-CG2 3.5Å; G374-T398 PolarHBondContact N-O 2.89Å
375	V	97.6	Very high	96.3	Very high	19 Å²	19	37.3 Å²	37.3	12%	0.115	21%	0.214	C	C	.	.	S	Bend	trans	-66.7	-46.5	176.5	-178.9	0	0	0	0	109.9	C313 I356 T368 T370 N372 K373 H380 E399	C313-V375 HydrophobicContact CB-CG1 3.57Å; I356-V375 HydrophobicContact CD1-CG1 3.98Å; I356-V375 WeakPolarHBondContact CD1-O 3.19Å; T368-V375 HydrophobicContact CG2-CB 4.38Å; T368-V375 HydrophobicContact CG2-CG1 4.26Å; T370-V375 HydrophobicContact CG2-CG1 4.17Å; T370-V375 HydrophobicContact CG2-CG2 3.91Å; T370-V375 VanDerWaalsContact OG1-CG2 3.28Å; T370-V375 WeakPolarHBondContact OG1-CG2 3.23Å; N372-V375 HydrophobicContact CB-CG2 4.24Å; K373-V375 VanDerWaalsContact C-N 3.31Å; K373-V375 PolarHBondContact O-N 2.89Å; V375-H380 PolarHBondContact O-CE1 3.38Å; V375-H380 PolarHBondContact O-ND1 3.29Å; V375-E399 WeakPolarHBondContact CA-O 3.28Å; V375-E399 WeakPolarHBondContact CB-O 3.4Å; V375-E399 HydrophobicContact CG2-CB 4.32Å; V375-E399 HydrophobicContact CG2-CG 4.4Å; V375-E399 PolarHBondContact N-O 2.85Å
376	I	98.3	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-108.7	108.4	172.6	-58	-59.7	0	0	0	108.5	I356 V366 T368 H380 M381 M384 E399 I400 D401	I356-I376 HydrophobicContact CD1-CD1 4.27Å; I356-I376 HydrophobicContact CG2-CD1 4.16Å; V366-I376 HydrophobicContact CG1-CD1 3.66Å; V366-I376 HydrophobicContact CG1-CG1 3.81Å; T368-I376 HydrophobicContact CG2-CG1 3.59Å; I376-H380 HydrophobicContact CG2-CB 4.18Å; I376-M381 HydrophobicContact CG2-CG 3.72Å; I376-M381 HydrophobicContact CG2-SD 4.25Å; I376-M384 HydrophobicContact CG2-CE 3.76Å; I376-E399 PolarHBondContact N-O 3.5Å; I376-I400 HydrophobicContact CB-CG1 4.42Å; I376-D401 PolarHBondContact O-N 3.1Å
377	T	98.2	Very high	96.2	Very high	42 Å²	42	41.2 Å²	41.2	26%	0.258	25%	0.245	S	C	.	.			trans	-94.5	170.4	-177	66.1	0	0	0	0	111.5	G374 A379 H380 M381	G374-T377 WeakPolarHBondContact O-CG2 3.5Å; T377-A379 PolarHBondContact O-N 3Å; T377-A379 PolarHBondContact OG1-N 3.15Å; T377-H380 PolarHBondContact N-ND1 3.22Å; T377-H380 WeakPolarHBondContact O-CB 3.25Å; T377-H380 PolarHBondContact O-N 3.35Å; T377-H380 VanDerWaalsContact O-N 3.12Å; T377-H380 PolarHBondContact OG1-N 3.37Å; T377-H380 PolarHBondContact OG1-ND1 3.29Å; T377-M381 PolarHBondContact O-N 3.44Å; T377-M381 VanDerWaalsContact O-N 3.1Å
378	R	97.2	Very high	96.2	Very high	46 Å²	46	41.2 Å²	41.2	17%	0.174	25%	0.245	C	C	.	.	H	α-helix	trans	-49.8	-46.4	168.9	-175.4	56.5	-172.1	-109.7	-0.4	112.3	H380 M381 D382 S404 T407 D409 L410	R378-H380 VanDerWaalsContact C-N 3.27Å; R378-H380 PolarHBondContact O-N 2.83Å; R378-M381 CarbonylContact O-C 3.59Å; R378-M381 PolarHBondContact O-N 3.23Å; R378-M381 VanDerWaalsContact O-N 3.08Å; R378-D382 IonicContact CZ-OD1 3.1Å; R378-D382 IonicContact NE-OD1 3.48Å; R378-D382 PolarHBondContact NE-OD1 3.03Å; R378-D382 IonicContact NE-OD2 3.57Å; R378-D382 IonicContact NH2-OD1 3.23Å; R378-D382 WeakPolarHBondContact O-CB 3.34Å; R378-D382 VanDerWaalsContact O-CG 3.24Å; R378-D382 PolarHBondContact O-N 3.19Å; R378-S404 WeakPolarHBondContact CB-OG 3.42Å; R378-S404 PolarHBondContact NH1-O 3.18Å; R378-T407 PolarHBondContact NH1-OG1 3.03Å; R378-D409 IonicContact CZ-OD2 3.71Å; R378-D409 IonicContact NH2-OD2 3.82Å; R378-D409 PolarHBondContact NH2-OD2 3.42Å; R378-L410 VanDerWaalsContact CZ-CD1 3.49Å
379	A	97.9	Very high	96.2	Very high	53 Å²	53	41.3 Å²	41.3	44%	0.438	25%	0.246	S	C	.	.	H	α-helix	trans	-63.2	-31.9	-178.2	0	0	0	0	0	113	T377 Q383	T377-A379 PolarHBondContact O-N 3Å; T377-A379 PolarHBondContact OG1-N 3.15Å; A379-Q383 WeakPolarHBondContact O-CG 3.4Å; A379-Q383 PolarHBondContact O-NE2 3.3Å
380	H	98.5	Very high	96.3	Very high	24 Å²	24	40.8 Å²	40.8	11%	0.111	24%	0.242	C	C	.	.	H	α-helix	trans	-68.9	-48.4	171.7	-62.3	156.5	0	0	0	110.6	D357 I360 V375 I376 T377 R378 D382 Q383 M384	D357-H380 IonicContact OD1-CD2 2.76Å; D357-H380 PolarHBondContact OD1-CD2 3.17Å; D357-H380 IonicContact OD1-NE2 2.75Å; D357-H380 PolarHBondContact OD1-NE2 2.96Å; I360-H380 HydrophobicContact CD1-CB 4.33Å; I360-H380 HydrophobicContact CG1-CB 3.98Å; I360-H380 WeakPolarHBondContact CG1-O 3.48Å; V375-H380 PolarHBondContact O-CE1 3.38Å; V375-H380 PolarHBondContact O-ND1 3.29Å; I376-H380 HydrophobicContact CG2-CB 4.18Å; T377-H380 PolarHBondContact N-ND1 3.22Å; T377-H380 WeakPolarHBondContact O-CB 3.25Å; T377-H380 PolarHBondContact O-N 3.35Å; T377-H380 VanDerWaalsContact O-N 3.12Å; T377-H380 PolarHBondContact OG1-N 3.37Å; T377-H380 PolarHBondContact OG1-ND1 3.29Å; R378-H380 VanDerWaalsContact C-N 3.27Å; R378-H380 PolarHBondContact O-N 2.83Å; H380-D382 VanDerWaalsContact C-N 3.34Å; H380-D382 PolarHBondContact O-N 3.01Å; H380-Q383 PolarHBondContact O-N 3.02Å; H380-Q383 VanDerWaalsContact O-N 3.09Å; H380-M384 PolarHBondContact O-N 3.2Å
381	M	98.2	Very high	96.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-33.2	-179.2	-67.3	-176.1	-74.3	0	0	113	I376 T377 R378 Q383 M384 I400 L405 W424 K428 I430	I376-M381 HydrophobicContact CG2-CG 3.72Å; I376-M381 HydrophobicContact CG2-SD 4.25Å; T377-M381 PolarHBondContact O-N 3.44Å; T377-M381 VanDerWaalsContact O-N 3.1Å; R378-M381 CarbonylContact O-C 3.59Å; R378-M381 PolarHBondContact O-N 3.23Å; R378-M381 VanDerWaalsContact O-N 3.08Å; M381-Q383 PolarHBondContact O-N 2.7Å; M381-M384 HydrophobicContact CG-CE 3.96Å; M381-M384 HydrophobicContact CG-SD 4.23Å; M381-M384 PolarHBondContact O-N 3.3Å; M381-I400 HydrophobicContact CE-CG2 4.41Å; M381-I400 HydrophobicContact SD-CG2 4.13Å; M381-L405 HydrophobicContact CE-CD1 3.86Å; M381-L405 HydrophobicContact CE-CD2 3.68Å; M381-L405 HydrophobicContact CE-CG 3.74Å; M381-L405 HydrophobicContact SD-CD1 3.74Å; M381-L405 HydrophobicContact SD-CD2 4.07Å; M381-L405 HydrophobicContact SD-CG 4.22Å; M381-W424 HydrophobicContact CB-CH2 4.21Å; M381-W424 HydrophobicContact CB-CZ2 4.2Å; M381-K428 PolarHBondContact O-NZ 3.34Å; M381-I430 HydrophobicContact CB-CD1 3.77Å; M381-I430 HydrophobicContact CG-CD1 4.19Å; M381-I430 WeakPolarHBondContact O-CD1 3.36Å
382	D	97.3	Very high	96.9	Very high	69 Å²	69	35.9 Å²	35.9	37%	0.369	20%	0.202	S	C	.	.	H	α-helix	trans	-59.7	-30.4	172.7	-72.9	-24	0	0	0	112.1	R378 H380 W424 K428	R378-D382 IonicContact CZ-OD1 3.1Å; R378-D382 IonicContact NE-OD1 3.48Å; R378-D382 PolarHBondContact NE-OD1 3.03Å; R378-D382 IonicContact NE-OD2 3.57Å; R378-D382 IonicContact NH2-OD1 3.23Å; R378-D382 WeakPolarHBondContact O-CB 3.34Å; R378-D382 VanDerWaalsContact O-CG 3.24Å; R378-D382 PolarHBondContact O-N 3.19Å; H380-D382 VanDerWaalsContact C-N 3.34Å; H380-D382 PolarHBondContact O-N 3.01Å; D382-W424 PolarHBondContact OD1-NE1 3.36Å; D382-K428 PolarHBondContact O-NZ 2.58Å
383	Q	97.8	Very high	97.1	Very high	60 Å²	60	31.7 Å²	31.7	28%	0.28	18%	0.18	S	C	.	.	H	α-helix	trans	-92.6	-14.8	-177.8	-69.7	-179.2	77.7	0	0	114.8	I360 R361 A379 H380 M381	I360-Q383 HydrophobicContact CG2-CB 4.06Å; R361-Q383 WeakPolarHBondContact CA-O 3.07Å; R361-Q383 HydrophobicContact CG-CB 3.99Å; R361-Q383 WeakPolarHBondContact CG-O 3.39Å; R361-Q383 VanDerWaalsContact CZ-OE1 3.3Å; A379-Q383 WeakPolarHBondContact O-CG 3.4Å; A379-Q383 PolarHBondContact O-NE2 3.3Å; H380-Q383 PolarHBondContact O-N 3.02Å; H380-Q383 VanDerWaalsContact O-N 3.09Å; M381-Q383 PolarHBondContact O-N 2.7Å
384	M	98.3	Very high	96.8	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.025	15%	0.151	C	C	.	.	S	Bend	trans	-61.6	152.3	-179.1	-70.2	178.3	-176.6	0	0	111.8	I360 V366 I376 H380 M381 C388 V390 K428 I430	I360-M384 HydrophobicContact CD1-CE 3.51Å; I360-M384 HydrophobicContact CD1-CG 4.06Å; I360-M384 HydrophobicContact CG1-CE 4.23Å; I360-M384 HydrophobicContact CG1-CG 3.95Å; V366-M384 HydrophobicContact CB-CE 4.38Å; V366-M384 HydrophobicContact CG2-CE 3.87Å; I376-M384 HydrophobicContact CG2-CE 3.76Å; H380-M384 PolarHBondContact O-N 3.2Å; M381-M384 HydrophobicContact CG-CE 3.96Å; M381-M384 HydrophobicContact CG-SD 4.23Å; M381-M384 PolarHBondContact O-N 3.3Å; M384-C388 HydrophobicContact CB-CB 4.03Å; M384-C388 HydrophobicContact CG-CB 4.49Å; M384-C388 HydrophobicContact SD-CB 4.19Å; M384-V390 HydrophobicContact CE-CG2 3.79Å; M384-V390 HydrophobicContact SD-CG2 3.59Å; M384-V390 VanDerWaalsContact SD-CG2 3.59Å; M384-K428 WeakPolarHBondContact O-CD 3.36Å; M384-I430 HydrophobicContact CB-CD1 4.08Å; M384-I430 HydrophobicContact CG-CD1 4.39Å; M384-I430 HydrophobicContact SD-CD1 3.61Å; M384-I430 HydrophobicContact SD-CG1 4.45Å
385	K	97.2	Very high	95.7	Very high	69 Å²	69	26.1 Å²	26.1	30%	0.3	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-70.7	154.3	170.8	70.9	-171.5	-173.4	-166.7	0	111.4	S362 V363 D364 G387 C388	S362-K385 PolarHBondContact O-NZ 3.47Å; V363-K385 WeakPolarHBondContact O-CE 3.24Å; D364-K385 WeakPolarHBondContact OD1-CE 3.45Å; D364-K385 IonicContact OD1-NZ 3.48Å; D364-K385 PolarHBondContact OD1-NZ 2.91Å; D364-K385 IonicContact OD2-NZ 3.81Å; D364-K385 PolarHBondContact OD2-NZ 3.15Å; K385-G387 PolarHBondContact O-N 3.01Å; K385-C388 HydrophobicContact CG-CB 4.47Å; K385-C388 VanDerWaalsContact O-CB 3.31Å; K385-C388 WeakPolarHBondContact O-CB 3.33Å; K385-C388 PolarHBondContact O-N 2.92Å
386	S	97.9	Very high	94.5	Very high	58 Å²	58	26.7 Å²	26.7	41%	0.406	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	133.9	174.4	-165.7	0	0	0	0	111.1	R429	S386-R429 CarbonylContact C-O 3.42Å; S386-R429 WeakPolarHBondContact CA-O 3.35Å; S386-R429 PolarHBondContact OG-N 3.06Å; S386-R429 VanDerWaalsContact OG-N 3.15Å
387	G	97.1	Very high	93.7	Very high	25 Å²	25	31.2 Å²	31.2	26%	0.258	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	5.9	-175.7	0	0	0	0	0	115.1	K385 V389 R429	K385-G387 PolarHBondContact O-N 3.01Å; G387-V389 PolarHBondContact O-N 3.17Å; G387-R429 PolarHBondContact N-O 3.17Å
388	C	98.4	Very high	93.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	132.5	173.7	-173.3	0	0	0	0	110.5	D364 M384 K385 I430 V431	D364-C388 WeakPolarHBondContact O-CA 3.33Å; D364-C388 PolarHBondContact O-SG 3.38Å; M384-C388 HydrophobicContact CB-CB 4.03Å; M384-C388 HydrophobicContact CG-CB 4.49Å; M384-C388 HydrophobicContact SD-CB 4.19Å; K385-C388 HydrophobicContact CG-CB 4.47Å; K385-C388 VanDerWaalsContact O-CB 3.31Å; K385-C388 WeakPolarHBondContact O-CB 3.33Å; K385-C388 PolarHBondContact O-N 2.92Å; C388-I430 WeakPolarHBondContact O-CG2 3.39Å; C388-V431 PolarHBondContact O-N 3.05Å
389	V	98.4	Very high	93.2	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.4	174.8	175.4	0	0	0	0	109.5	L297 T301 M303 D364 I365 V366 G387 V431 I433	L297-V389 HydrophobicContact CD2-CG1 4.02Å; T301-V389 HydrophobicContact CG2-CG1 4.17Å; T301-V389 HydrophobicContact CG2-CG2 3.97Å; M303-V389 HydrophobicContact CE-CB 4.39Å; M303-V389 HydrophobicContact CE-CG2 3.21Å; M303-V389 HydrophobicContact SD-CG2 3.98Å; D364-V389 PolarHBondContact O-N 3.28Å; I365-V389 CarbonylContact C-O 3.58Å; I365-V389 WeakPolarHBondContact CA-O 3.37Å; I365-V389 HydrophobicContact CG1-CB 4.4Å; I365-V389 HydrophobicContact CG2-CB 4.37Å; I365-V389 HydrophobicContact CG2-CG1 4.44Å; V366-V389 PolarHBondContact N-O 3.12Å; G387-V389 PolarHBondContact O-N 3.17Å; V389-V431 CarbonylContact C-O 3.58Å; V389-V431 WeakPolarHBondContact CA-O 3.42Å; V389-V431 HydrophobicContact CG2-CB 3.93Å; V389-V431 HydrophobicContact CG2-CG1 4.22Å; V389-V431 HydrophobicContact CG2-CG2 4.39Å; V389-I433 HydrophobicContact CG1-CD1 3.51Å; V389-I433 HydrophobicContact CG1-CG1 4.16Å
390	V	98.3	Very high	93.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122.2	178.6	-170.7	0	0	0	0	108.9	V366 M384 I400 I430 V431 L432 I433	V366-V390 HydrophobicContact CB-CG1 4.46Å; V366-V390 WeakPolarHBondContact O-CA 3.42Å; M384-V390 HydrophobicContact CE-CG2 3.79Å; M384-V390 HydrophobicContact SD-CG2 3.59Å; M384-V390 VanDerWaalsContact SD-CG2 3.59Å; V390-I400 HydrophobicContact CG1-CD1 3.7Å; V390-I400 HydrophobicContact CG1-CG1 4.16Å; V390-I400 HydrophobicContact CG1-CG2 4.4Å; V390-I430 HydrophobicContact CB-CG2 4.32Å; V390-I430 HydrophobicContact CG2-CG2 3.61Å; V390-V431 PolarHBondContact N-O 3.27Å; V390-L432 HydrophobicContact CB-CD1 4.4Å; V390-I433 PolarHBondContact O-N 3.09Å
391	C	96.9	Very high	93.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	161.7	176	71.2	0	0	0	0	112.3	V366 V367 T368 I433 A439	V366-C391 PolarHBondContact O-N 3.41Å; V367-C391 WeakPolarHBondContact CA-O 3.42Å; T368-C391 PolarHBondContact N-O 3.33Å; C391-I433 HydrophobicContact CB-CB 3.75Å; C391-I433 HydrophobicContact CB-CD1 3.89Å; C391-I433 HydrophobicContact CB-CG1 4.25Å; C391-I433 HydrophobicContact CB-CG2 4.22Å; C391-A439 HydrophobicContact CB-CB 4.29Å
392	N	96.1	Very high	93	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.3	-178.7	175.2	31.4	0	0	0	109.9	T368 G394 S396 I400 G436 A439	T368-N392 PolarHBondContact O-OD1 2.79Å; T368-N392 WeakPolarHBondContact OG1-CA 3.39Å; T368-N392 WeakPolarHBondContact OG1-CB 3.27Å; T368-N392 PolarHBondContact OG1-OD1 3.4Å; N392-G394 PolarHBondContact OD1-N 2.8Å; N392-S396 PolarHBondContact ND2-O 3.46Å; N392-I400 HydrophobicContact CB-CD1 3.81Å; N392-G436 WeakPolarHBondContact CB-O 3.29Å; N392-G436 PolarHBondContact ND2-O 2.75Å; N392-A439 WeakPolarHBondContact O-CB 3.23Å; N392-A439 PolarHBondContact O-N 2.76Å
393	M	93.6	Very high	92.8	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	19%	0.193	C	C	.	.			trans	-112.2	-2.1	176.6	-69.7	-70.4	-65.7	0	0	112.3	C289 I293 V318 V322 V367 T368 A439 N440	C289-M393 HydrophobicContact CB-CE 4.16Å; I293-M393 HydrophobicContact CB-CE 3.91Å; I293-M393 HydrophobicContact CB-SD 4.3Å; I293-M393 HydrophobicContact CD1-CG 3.8Å; I293-M393 HydrophobicContact CD1-SD 3.84Å; V318-M393 HydrophobicContact CG1-CB 3.95Å; V318-M393 WeakPolarHBondContact CG1-O 3.43Å; V322-M393 HydrophobicContact CG2-CB 4.38Å; V322-M393 HydrophobicContact CG2-CE 4.14Å; V322-M393 HydrophobicContact CG2-CG 4.18Å; V367-M393 HydrophobicContact CG1-CB 4.04Å; V367-M393 HydrophobicContact CG1-CG 3.49Å; V367-M393 VanDerWaalsContact CG1-CG 3.49Å; T368-M393 PolarHBondContact O-N 3.36Å; M393-A439 HydrophobicContact SD-CB 4.07Å; M393-N440 HydrophobicContact CE-CB 3.69Å; M393-N440 HydrophobicContact SD-CB 3.95Å
394	G	85	Confident	92.8	Very high	9 Å²	9	35.5 Å²	35.5	9%	0.093	19%	0.187	C	C	.	.	S	Bend	trans	-75	-158.4	176.4	0	0	0	0	0	112.4	T368 N392 E399 L438	T368-G394 PolarHBondContact O-N 3.47Å; T368-G394 VanDerWaalsContact O-N 3.13Å; N392-G394 PolarHBondContact OD1-N 2.8Å; G394-E399 VanDerWaalsContact CA-OE1 3.29Å; G394-E399 WeakPolarHBondContact CA-OE1 3.48Å; G394-L438 WeakPolarHBondContact O-CD2 3.47Å; G394-L438 WeakPolarHBondContact O-CG 3.45Å
395	H	72.1	Confident	92.7	Very high	65 Å²	65	35.4 Å²	35.4	30%	0.301	19%	0.187	S	C	.	.	S	Bend	trans	-102.2	-17.9	-169.8	-168.7	25.7	0	0	0	114.6	T253	T253-H395 VanDerWaalsContact CB-NE2 3.26Å; T253-H395 WeakPolarHBondContact CB-NE2 3.36Å; T253-H395 PolarHBondContact N-CD2 3.08Å; T253-H395 PolarHBondContact N-NE2 3.07Å; T253-H395 PolarHBondContact OG1-CD2 3.33Å; T253-H395 PolarHBondContact OG1-NE2 3.44Å
396	S	71.6	Confident	92.5	Very high	31 Å²	31	38.1 Å²	38.1	22%	0.217	20%	0.201	C	C	.	.	S	Bend	trans	-122.7	153.3	-178.4	83.2	0	0	0	0	111.3	N392 T398	N392-S396 PolarHBondContact ND2-O 3.46Å; S396-T398 PolarHBondContact O-N 2.62Å; S396-T398 VanDerWaalsContact O-N 3.12Å; S396-T398 PolarHBondContact OG-N 3.31Å; S396-T398 PolarHBondContact OG-OG1 3.39Å
397	N	82.5	Confident	92.4	Very high	94 Å²	94	37.3 Å²	37.3	50%	0.503	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	20.6	172.5	68.2	-17.8	0	0	0	113.5	R437	N397-R437 HydrophobicContact CB-CG 4.17Å
398	T	88.4	Confident	92.3	Very high	54 Å²	54	42.8 Å²	42.8	33%	0.331	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-6.3	-173.8	73.1	0	0	0	0	113.9	N372 K373 G374 S396 I400	N372-T398 PolarHBondContact O-OG1 2.74Å; K373-T398 CarbonylContact C-O 3.52Å; K373-T398 WeakPolarHBondContact CA-O 3.18Å; G374-T398 PolarHBondContact N-O 2.89Å; S396-T398 PolarHBondContact O-N 2.62Å; S396-T398 VanDerWaalsContact O-N 3.12Å; S396-T398 PolarHBondContact OG-N 3.31Å; S396-T398 PolarHBondContact OG-OG1 3.39Å; T398-I400 VanDerWaalsContact C-N 3.32Å; T398-I400 PolarHBondContact O-N 3.13Å
399	E	95	Very high	92.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-66.6	-34.8	179	-69.5	-169.7	-137.6	0	0	112.5	T368 C369 T370 G371 N372 V375 I376 G394	T368-E399 VanDerWaalsContact CB-OE2 3.23Å; T368-E399 WeakPolarHBondContact CB-OE2 3.34Å; T368-E399 HydrophobicContact CG2-CB 4.3Å; T368-E399 WeakPolarHBondContact OG1-CB 3.38Å; C369-E399 PolarHBondContact N-OE2 3.4Å; T370-E399 WeakPolarHBondContact CB-OE2 3.45Å; T370-E399 PolarHBondContact N-OE2 2.92Å; T370-E399 PolarHBondContact OG1-OE2 3.35Å; G371-E399 VanDerWaalsContact CA-OE1 3.25Å; G371-E399 WeakPolarHBondContact CA-OE1 3.36Å; G371-E399 PolarHBondContact N-OE1 2.9Å; N372-E399 WeakPolarHBondContact O-CG 3.37Å; V375-E399 WeakPolarHBondContact CA-O 3.28Å; V375-E399 WeakPolarHBondContact CB-O 3.4Å; V375-E399 HydrophobicContact CG2-CB 4.32Å; V375-E399 HydrophobicContact CG2-CG 4.4Å; V375-E399 PolarHBondContact N-O 2.85Å; I376-E399 PolarHBondContact N-O 3.5Å; G394-E399 VanDerWaalsContact CA-OE1 3.29Å; G394-E399 WeakPolarHBondContact CA-OE1 3.48Å
400	I	97.5	Very high	92.1	Very high	3 Å²	3	46 Å²	46	2%	0.015	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-103.8	128.4	173.9	-56.7	162.4	0	0	0	107.8	T368 I376 M381 V390 N392 T398 V402 L432	T368-I400 HydrophobicContact CG2-CG1 4.06Å; I376-I400 HydrophobicContact CB-CG1 4.42Å; M381-I400 HydrophobicContact CE-CG2 4.41Å; M381-I400 HydrophobicContact SD-CG2 4.13Å; V390-I400 HydrophobicContact CG1-CD1 3.7Å; V390-I400 HydrophobicContact CG1-CG1 4.16Å; V390-I400 HydrophobicContact CG1-CG2 4.4Å; N392-I400 HydrophobicContact CB-CD1 3.81Å; T398-I400 VanDerWaalsContact C-N 3.32Å; T398-I400 PolarHBondContact O-N 3.13Å; I400-V402 HydrophobicContact CB-CG2 4.12Å; I400-V402 HydrophobicContact CG2-CG2 3.78Å; I400-V402 PolarHBondContact O-N 3.1Å; I400-L432 HydrophobicContact CD1-CD1 4.48Å
401	D	96.7	Very high	92	Very high	61 Å²	61	50.1 Å²	50.1	33%	0.326	27%	0.267	S	S	.	.			trans	-77.3	67.1	178	-170.4	0.1	0	0	0	111.9	I376 R403 S404	I376-D401 PolarHBondContact O-N 3.1Å; D401-R403 PolarHBondContact O-N 3.14Å; D401-S404 VanDerWaalsContact CG-CB 3.45Å; D401-S404 PolarHBondContact O-N 3.48Å; D401-S404 PolarHBondContact O-OG 3.35Å; D401-S404 WeakPolarHBondContact OD1-CB 3.34Å; D401-S404 PolarHBondContact OD1-N 3.43Å; D401-S404 VanDerWaalsContact OD1-N 3.17Å; D401-S404 WeakPolarHBondContact OD2-CB 3.44Å; D401-S404 PolarHBondContact OD2-OG 3.14Å
402	V	96	Very high	92	Very high	22 Å²	22	53.4 Å²	53.4	13%	0.133	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-64.8	-29	-179.4	179	0	0	0	0	111.9	I400 S404 L405 W412 L432	I400-V402 HydrophobicContact CB-CG2 4.12Å; I400-V402 HydrophobicContact CG2-CG2 3.78Å; I400-V402 PolarHBondContact O-N 3.1Å; V402-S404 VanDerWaalsContact C-N 3.28Å; V402-S404 PolarHBondContact O-N 3.27Å; V402-L405 WeakPolarHBondContact O-CB 3.23Å; V402-L405 PolarHBondContact O-N 3.12Å; V402-W412 HydrophobicContact CG1-CH2 3.75Å; V402-W412 HydrophobicContact CG1-CZ2 4.21Å; V402-L432 HydrophobicContact CG1-CD2 4.13Å; V402-L432 HydrophobicContact CG2-CD2 4.14Å
403	R	94.8	Very high	92	Very high	221 Å²	221	58.2 Å²	58.2	83%	0.834	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-62.3	-37.7	177.8	-67.4	-176.4	-176.5	178.7	0.3	111.7	D401 L405 Q406	D401-R403 PolarHBondContact O-N 3.14Å; R403-L405 PolarHBondContact O-N 3.1Å; R403-L405 VanDerWaalsContact O-N 3.15Å; R403-Q406 WeakPolarHBondContact O-CB 3.38Å; R403-Q406 PolarHBondContact O-N 3Å; R403-Q406 VanDerWaalsContact O-N 3.12Å
404	S	96.4	Very high	92.1	Very high	25 Å²	25	65.2 Å²	65.2	18%	0.175	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-65.7	-10.8	176.2	74.4	0	0	0	0	114.9	R378 D401 V402	R378-S404 WeakPolarHBondContact CB-OG 3.42Å; R378-S404 PolarHBondContact NH1-O 3.18Å; D401-S404 VanDerWaalsContact CG-CB 3.45Å; D401-S404 PolarHBondContact O-N 3.48Å; D401-S404 PolarHBondContact O-OG 3.35Å; D401-S404 WeakPolarHBondContact OD1-CB 3.34Å; D401-S404 PolarHBondContact OD1-N 3.43Å; D401-S404 VanDerWaalsContact OD1-N 3.17Å; D401-S404 WeakPolarHBondContact OD2-CB 3.44Å; D401-S404 PolarHBondContact OD2-OG 3.14Å; V402-S404 VanDerWaalsContact C-N 3.28Å; V402-S404 PolarHBondContact O-N 3.27Å
405	L	96.4	Very high	92.5	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.01	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-93.7	-6.4	176.3	-59.3	176.4	0	0	0	113	M381 V402 R403 T407 L410 W412 V422 W424	M381-L405 HydrophobicContact CE-CD1 3.86Å; M381-L405 HydrophobicContact CE-CD2 3.68Å; M381-L405 HydrophobicContact CE-CG 3.74Å; M381-L405 HydrophobicContact SD-CD1 3.74Å; M381-L405 HydrophobicContact SD-CD2 4.07Å; M381-L405 HydrophobicContact SD-CG 4.22Å; V402-L405 WeakPolarHBondContact O-CB 3.23Å; V402-L405 PolarHBondContact O-N 3.12Å; R403-L405 PolarHBondContact O-N 3.1Å; R403-L405 VanDerWaalsContact O-N 3.15Å; L405-T407 PolarHBondContact O-N 2.91Å; L405-L410 HydrophobicContact CB-CD1 4Å; L405-L410 HydrophobicContact CD2-CD1 3.73Å; L405-L410 HydrophobicContact CG-CD1 4.5Å; L405-L410 WeakPolarHBondContact O-CD1 3.19Å; L405-W412 HydrophobicContact CB-CZ2 3.71Å; L405-W412 HydrophobicContact CD1-CZ2 4.23Å; L405-W412 PolarHBondContact O-NE1 3.18Å; L405-V422 HydrophobicContact CB-CG1 4.45Å; L405-V422 HydrophobicContact CD1-CG1 4.41Å; L405-V422 HydrophobicContact CD1-CG2 4.28Å; L405-V422 HydrophobicContact CD2-CG1 4.4Å; L405-W424 HydrophobicContact CD2-CH2 4.06Å; L405-W424 HydrophobicContact CD2-CZ2 4.18Å
406	Q	94.3	Very high	93.3	Very high	126 Å²	126	69.8 Å²	69.8	59%	0.589	35%	0.346	S	S	*	.			trans	-85.6	62.5	178.6	-63.7	-65.9	-28.3	0	0	109.9	R403	R403-Q406 WeakPolarHBondContact O-CB 3.38Å; R403-Q406 PolarHBondContact O-N 3Å; R403-Q406 VanDerWaalsContact O-N 3.12Å
407	T	95.7	Very high	94.1	Very high	42 Å²	42	72.3 Å²	72.3	26%	0.258	36%	0.364	S	S	.	.	S	Bend	trans	-127.5	148.2	-175.4	60.3	0	0	0	0	111	R378 L405 D409 L410	R378-T407 PolarHBondContact NH1-OG1 3.03Å; L405-T407 PolarHBondContact O-N 2.91Å; T407-D409 WeakPolarHBondContact CB-OD1 3.22Å; T407-D409 PolarHBondContact O-N 2.75Å; T407-D409 VanDerWaalsContact O-N 3.11Å; T407-D409 PolarHBondContact OG1-OD1 3.05Å; T407-L410 PolarHBondContact O-N 3.12Å; T407-L410 VanDerWaalsContact O-N 3.07Å
408	P	94.2	Very high	94.3	Very high	140 Å²	140	70.4 Å²	70.4	91%	0.909	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.2	-175	-23.8	34.4	0	0	0	115.4	L410	P408-L410 VanDerWaalsContact C-N 3.28Å
409	D	94.5	Very high	94.7	Very high	56 Å²	56	68 Å²	68	30%	0.299	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-8.7	176.2	61.2	-61.9	0	0	0	114	R378 T407 M425	R378-D409 IonicContact CZ-OD2 3.71Å; R378-D409 IonicContact NH2-OD2 3.82Å; R378-D409 PolarHBondContact NH2-OD2 3.42Å; T407-D409 WeakPolarHBondContact CB-OD1 3.22Å; T407-D409 PolarHBondContact O-N 2.75Å; T407-D409 VanDerWaalsContact O-N 3.11Å; T407-D409 PolarHBondContact OG1-OD1 3.05Å; D409-M425 HydrophobicContact CB-CE 3.6Å; D409-M425 HydrophobicContact CB-CG 4.38Å; D409-M425 HydrophobicContact CB-SD 4.43Å; D409-M425 WeakPolarHBondContact O-CG 3.27Å
410	L	97.3	Very high	94.8	Very high	11 Å²	11	68.4 Å²	68.4	6%	0.058	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.9	178	-63.3	-177	0	0	0	111	R378 L405 T407 P408 V422 I423 W424	R378-L410 VanDerWaalsContact CZ-CD1 3.49Å; L405-L410 HydrophobicContact CB-CD1 4Å; L405-L410 HydrophobicContact CD2-CD1 3.73Å; L405-L410 HydrophobicContact CG-CD1 4.5Å; L405-L410 WeakPolarHBondContact O-CD1 3.19Å; T407-L410 PolarHBondContact O-N 3.12Å; T407-L410 VanDerWaalsContact O-N 3.07Å; P408-L410 VanDerWaalsContact C-N 3.28Å; L410-V422 HydrophobicContact CB-CG1 4.23Å; L410-V422 HydrophobicContact CD1-CG1 3.78Å; L410-V422 HydrophobicContact CG-CG1 4.42Å; L410-I423 WeakPolarHBondContact CA-O 3.49Å; L410-W424 HydrophobicContact CD1-CZ2 4.49Å; L410-W424 HydrophobicContact CD2-CB 4.21Å; L410-W424 HydrophobicContact CD2-CD2 3.54Å; L410-W424 HydrophobicContact CD2-CE3 4.07Å; L410-W424 HydrophobicContact CD2-CG 3.61Å; L410-W424 HydrophobicContact CD2-CZ2 4.31Å
411	T	97.2	Very high	94.8	Very high	88 Å²	88	70.1 Å²	70.1	54%	0.54	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.8	171.5	-58.5	0	0	0	0	109.2	I423	T411-I423 PolarHBondContact N-O 3.35Å; T411-I423 PolarHBondContact O-N 2.97Å
412	W	97.3	Very high	94.8	Very high	69 Å²	69	67.2 Å²	67.2	26%	0.261	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.5	171.2	-78.4	69.8	0	0	0	109.7	V402 L405 D420 V422 L432	V402-W412 HydrophobicContact CG1-CH2 3.75Å; V402-W412 HydrophobicContact CG1-CZ2 4.21Å; L405-W412 HydrophobicContact CB-CZ2 3.71Å; L405-W412 HydrophobicContact CD1-CZ2 4.23Å; L405-W412 PolarHBondContact O-NE1 3.18Å; W412-D420 HydrophobicContact CE3-CB 3.85Å; W412-D420 HydrophobicContact CZ3-CB 3.89Å; W412-V422 HydrophobicContact CD2-CG2 3.98Å; W412-V422 HydrophobicContact CE3-CG2 4.13Å; W412-V422 HydrophobicContact CH2-CG2 4.02Å; W412-V422 HydrophobicContact CZ2-CG2 3.85Å; W412-V422 HydrophobicContact CZ3-CG2 4.15Å; W412-L432 HydrophobicContact CH2-CD2 3.49Å; W412-L432 VanDerWaalsContact CH2-CD2 3.49Å; W412-L432 HydrophobicContact CZ2-CD2 4.47Å; W412-L432 HydrophobicContact CZ3-CD2 3.91Å
413	E	96.6	Very high	95	Very high	101 Å²	101	68 Å²	68	47%	0.472	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	111.6	176.4	-177.7	-171.3	161.2	0	0	108.9	V415 H421 I423	E413-V415 PolarHBondContact O-N 3.21Å; E413-H421 HydrophobicContact CB-CB 4.28Å; E413-H421 PolarHBondContact N-O 2.97Å; E413-H421 PolarHBondContact O-N 3.04Å; E413-I423 HydrophobicContact CB-CD1 4.27Å
414	R	94.7	Very high	95.1	Very high	150 Å²	150	58.7 Å²	58.7	57%	0.566	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	109.8	174.4	-176.1	170.4	178.8	143.2	-5	109.6	D420	R414-D420 WeakPolarHBondContact CA-OD1 3.5Å; R414-D420 WeakPolarHBondContact CB-OD1 3.45Å
415	V	92.5	Very high	95	Very high	60 Å²	60	65.1 Å²	65.1	36%	0.364	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-35.8	-173.9	-179	0	0	0	0	111.7	E413 V419 H421	E413-V415 PolarHBondContact O-N 3.21Å; V415-V419 PolarHBondContact N-O 2.87Å; V415-H421 HydrophobicContact CG2-CB 4.06Å; V415-H421 VanDerWaalsContact CG2-CG 3.46Å; V415-H421 WeakPolarHBondContact CG2-ND1 3.5Å
416	R	90.8	Very high	94.9	Very high	109 Å²	109	71.1 Å²	71.1	41%	0.411	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	-177.8	174.9	57.9	-178.4	74.1	175.2	4.3	110	D302 Q418 V419	D302-R416 IonicContact OD2-CZ 3.38Å; D302-R416 IonicContact OD2-NH1 3.68Å; D302-R416 PolarHBondContact OD2-NH1 3.48Å; D302-R416 IonicContact OD2-NH2 3.85Å; D302-R416 PolarHBondContact OD2-NH2 3.36Å; R416-Q418 PolarHBondContact O-N 3.08Å; R416-V419 HydrophobicContact CG-CB 3.6Å; R416-V419 HydrophobicContact CG-CG1 4.43Å; R416-V419 HydrophobicContact CG-CG2 3.66Å; R416-V419 PolarHBondContact N-O 3.37Å; R416-V419 PolarHBondContact O-N 3.01Å
417	S	87	Confident	95	Very high	84 Å²	84	67.4 Å²	67.4	59%	0.587	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	127.4	175.1	-166.8	0	0	0	0	110.7	V419	S417-V419 PolarHBondContact O-N 3.38Å
418	Q	88.2	Confident	95.1	Very high	54 Å²	54	66.5 Å²	66.5	25%	0.252	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	20.5	-179.6	-50.1	-60.5	-37.7	0	0	115.3	R416 A434 C443	R416-Q418 PolarHBondContact O-N 3.08Å; Q418-A434 HydrophobicContact CB-CB 4.39Å; Q418-A434 PolarHBondContact O-N 3.16Å; Q418-C443 VanDerWaalsContact CB-SG 3.59Å
419	V	95.3	Very high	95.2	Very high	3 Å²	3	65.4 Å²	65.4	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	119.4	177.1	-174.4	0	0	0	0	110.3	T300 V415 R416 S417 V431	T300-V419 HydrophobicContact CG2-CG2 3.89Å; V415-V419 PolarHBondContact N-O 2.87Å; R416-V419 HydrophobicContact CG-CB 3.6Å; R416-V419 HydrophobicContact CG-CG1 4.43Å; R416-V419 HydrophobicContact CG-CG2 3.66Å; R416-V419 PolarHBondContact N-O 3.37Å; R416-V419 PolarHBondContact O-N 3.01Å; S417-V419 PolarHBondContact O-N 3.38Å; V419-V431 HydrophobicContact CG1-CG1 3.72Å
420	D	97	Very high	95.4	Very high	9 Å²	9	62.9 Å²	62.9	5%	0.048	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.6	179.5	-58.6	-77.2	0	0	0	109.6	W412 R414 L432 E435	W412-D420 HydrophobicContact CE3-CB 3.85Å; W412-D420 HydrophobicContact CZ3-CB 3.89Å; R414-D420 WeakPolarHBondContact CA-OD1 3.5Å; R414-D420 WeakPolarHBondContact CB-OD1 3.45Å; D420-L432 PolarHBondContact N-O 3.1Å; D420-L432 PolarHBondContact O-N 3.48Å; D420-E435 WeakPolarHBondContact OD2-CG 3.42Å
421	H	97.7	Very high	95.4	Very high	40 Å²	40	63 Å²	63	19%	0.185	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.7	162.9	-74.8	176.4	0	0	0	109	E413 V415 I423 I430	E413-H421 HydrophobicContact CB-CB 4.28Å; E413-H421 PolarHBondContact N-O 2.97Å; E413-H421 PolarHBondContact O-N 3.04Å; V415-H421 HydrophobicContact CG2-CB 4.06Å; V415-H421 VanDerWaalsContact CG2-CG 3.46Å; V415-H421 WeakPolarHBondContact CG2-ND1 3.5Å; H421-I423 HydrophobicContact CB-CD1 4.42Å; H421-I423 HydrophobicContact CB-CG1 4.24Å; H421-I430 WeakPolarHBondContact CA-O 3.42Å
422	V	97.9	Very high	95.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.5	169.4	-174.6	0	0	0	0	107.6	L405 L410 W412 W424 R429 I430 L432	L405-V422 HydrophobicContact CB-CG1 4.45Å; L405-V422 HydrophobicContact CD1-CG1 4.41Å; L405-V422 HydrophobicContact CD1-CG2 4.28Å; L405-V422 HydrophobicContact CD2-CG1 4.4Å; L410-V422 HydrophobicContact CB-CG1 4.23Å; L410-V422 HydrophobicContact CD1-CG1 3.78Å; L410-V422 HydrophobicContact CG-CG1 4.42Å; W412-V422 HydrophobicContact CD2-CG2 3.98Å; W412-V422 HydrophobicContact CE3-CG2 4.13Å; W412-V422 HydrophobicContact CH2-CG2 4.02Å; W412-V422 HydrophobicContact CZ2-CG2 3.85Å; W412-V422 HydrophobicContact CZ3-CG2 4.15Å; V422-W424 HydrophobicContact CB-CZ3 4.09Å; V422-W424 HydrophobicContact CG1-CH2 4.09Å; V422-W424 HydrophobicContact CG1-CZ3 3.83Å; V422-W424 VanDerWaalsContact O-CZ3 3.28Å; V422-W424 WeakPolarHBondContact O-CZ3 3.49Å; V422-R429 CarbonylContact O-C 3.57Å; V422-R429 WeakPolarHBondContact O-CA 3.49Å; V422-I430 PolarHBondContact N-O 2.83Å; V422-I430 PolarHBondContact O-N 2.91Å; V422-L432 HydrophobicContact CG2-CB 4.38Å; V422-L432 HydrophobicContact CG2-CD2 4.48Å
423	I	98.2	Very high	95.4	Very high	39 Å²	39	55.6 Å²	55.6	20%	0.2	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.4	-167.5	-55.1	168.8	0	0	0	109.6	L410 T411 E413 H421 K428 R429	L410-I423 WeakPolarHBondContact CA-O 3.49Å; T411-I423 PolarHBondContact N-O 3.35Å; T411-I423 PolarHBondContact O-N 2.97Å; E413-I423 HydrophobicContact CB-CD1 4.27Å; H421-I423 HydrophobicContact CB-CD1 4.42Å; H421-I423 HydrophobicContact CB-CG1 4.24Å; I423-K428 WeakPolarHBondContact CA-O 3.38Å; I423-R429 HydrophobicContact CG1-CB 4.24Å
424	W	97.7	Very high	95.1	Very high	24 Å²	24	50.8 Å²	50.8	9%	0.091	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	158.9	174.5	-79.9	-113.1	0	0	0	110.9	M381 D382 L405 L410 V422 D426 G427 K428 I430	M381-W424 HydrophobicContact CB-CH2 4.21Å; M381-W424 HydrophobicContact CB-CZ2 4.2Å; D382-W424 PolarHBondContact OD1-NE1 3.36Å; L405-W424 HydrophobicContact CD2-CH2 4.06Å; L405-W424 HydrophobicContact CD2-CZ2 4.18Å; L410-W424 HydrophobicContact CD1-CZ2 4.49Å; L410-W424 HydrophobicContact CD2-CB 4.21Å; L410-W424 HydrophobicContact CD2-CD2 3.54Å; L410-W424 HydrophobicContact CD2-CE3 4.07Å; L410-W424 HydrophobicContact CD2-CG 3.61Å; L410-W424 HydrophobicContact CD2-CZ2 4.31Å; V422-W424 HydrophobicContact CB-CZ3 4.09Å; V422-W424 HydrophobicContact CG1-CH2 4.09Å; V422-W424 HydrophobicContact CG1-CZ3 3.83Å; V422-W424 VanDerWaalsContact O-CZ3 3.28Å; V422-W424 WeakPolarHBondContact O-CZ3 3.49Å; W424-D426 VanDerWaalsContact CB-OD1 3.24Å; W424-D426 WeakPolarHBondContact CB-OD1 3.48Å; W424-D426 PolarHBondContact O-N 3.43Å; W424-D426 VanDerWaalsContact O-N 3.09Å; W424-G427 PolarHBondContact O-N 2.97Å; W424-K428 HydrophobicContact CB-CB 4.26Å; W424-K428 VanDerWaalsContact CG-CE 3.4Å; W424-K428 PolarHBondContact N-O 3.42Å; W424-I430 HydrophobicContact CH2-CB 4.42Å; W424-I430 HydrophobicContact CH2-CD1 3.43Å; W424-I430 VanDerWaalsContact CH2-CD1 3.43Å; W424-I430 HydrophobicContact CH2-CG1 3.97Å; W424-I430 HydrophobicContact CZ2-CD1 4.33Å; W424-I430 HydrophobicContact CZ3-CB 3.98Å; W424-I430 HydrophobicContact CZ3-CD1 3.7Å; W424-I430 HydrophobicContact CZ3-CG1 3.66Å
425	M	94.6	Very high	95	Very high	161 Å²	161	46.7 Å²	46.7	79%	0.793	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.9	178.2	-66.5	-166.3	169.6	0	0	114.2	D409 G427	D409-M425 HydrophobicContact CB-CE 3.6Å; D409-M425 HydrophobicContact CB-CG 4.38Å; D409-M425 HydrophobicContact CB-SD 4.43Å; D409-M425 WeakPolarHBondContact O-CG 3.27Å; M425-G427 VanDerWaalsContact C-N 3.26Å; M425-G427 PolarHBondContact O-N 3.44Å
426	D	94.7	Very high	95	Very high	127 Å²	127	43.9 Å²	43.9	68%	0.679	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	1	177.2	68.4	-4.3	0	0	0	113.8	W424 K428	W424-D426 VanDerWaalsContact CB-OD1 3.24Å; W424-D426 WeakPolarHBondContact CB-OD1 3.48Å; W424-D426 PolarHBondContact O-N 3.43Å; W424-D426 VanDerWaalsContact O-N 3.09Å; D426-K428 VanDerWaalsContact C-N 3.35Å; D426-K428 WeakPolarHBondContact OD1-CB 3.44Å; D426-K428 PolarHBondContact OD1-N 2.8Å
427	G	95.6	Very high	94.8	Very high	48 Å²	48	42.8 Å²	42.8	50%	0.495	22%	0.22	S	C	.	.	S	Bend	trans	84.5	0.2	-178.2	0	0	0	0	0	114.7	W424 M425 R429	W424-G427 PolarHBondContact O-N 2.97Å; M425-G427 VanDerWaalsContact C-N 3.26Å; M425-G427 PolarHBondContact O-N 3.44Å; G427-R429 PolarHBondContact O-N 3.24Å
428	K	97.6	Very high	94.9	Very high	23 Å²	23	40.4 Å²	40.4	10%	0.1	20%	0.201	C	C	.	.			trans	-61.7	134.6	169	179.6	-166	58.4	165.1	0	109.1	M381 D382 M384 I423 W424 D426	M381-K428 PolarHBondContact O-NZ 3.34Å; D382-K428 PolarHBondContact O-NZ 2.58Å; M384-K428 WeakPolarHBondContact O-CD 3.36Å; I423-K428 WeakPolarHBondContact CA-O 3.38Å; W424-K428 HydrophobicContact CB-CB 4.26Å; W424-K428 VanDerWaalsContact CG-CE 3.4Å; W424-K428 PolarHBondContact N-O 3.42Å; D426-K428 VanDerWaalsContact C-N 3.35Å; D426-K428 WeakPolarHBondContact OD1-CB 3.44Å; D426-K428 PolarHBondContact OD1-N 2.8Å
429	R	97.1	Very high	94.9	Very high	118 Å²	118	37.8 Å²	37.8	45%	0.445	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.7	176.4	67.8	-175.7	178.2	-86.5	-0.2	112	S386 G387 V422 I423 G427	S386-R429 CarbonylContact C-O 3.42Å; S386-R429 WeakPolarHBondContact CA-O 3.35Å; S386-R429 PolarHBondContact OG-N 3.06Å; S386-R429 VanDerWaalsContact OG-N 3.15Å; G387-R429 PolarHBondContact N-O 3.17Å; V422-R429 CarbonylContact O-C 3.57Å; V422-R429 WeakPolarHBondContact O-CA 3.49Å; I423-R429 HydrophobicContact CG1-CB 4.24Å; G427-R429 PolarHBondContact O-N 3.24Å
430	I	98.1	Very high	94.4	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.1	165.3	-69	-177.1	0	0	0	108.3	M381 M384 C388 V390 H421 V422 W424	M381-I430 HydrophobicContact CB-CD1 3.77Å; M381-I430 HydrophobicContact CG-CD1 4.19Å; M381-I430 WeakPolarHBondContact O-CD1 3.36Å; M384-I430 HydrophobicContact CB-CD1 4.08Å; M384-I430 HydrophobicContact CG-CD1 4.39Å; M384-I430 HydrophobicContact SD-CD1 3.61Å; M384-I430 HydrophobicContact SD-CG1 4.45Å; C388-I430 WeakPolarHBondContact O-CG2 3.39Å; V390-I430 HydrophobicContact CB-CG2 4.32Å; V390-I430 HydrophobicContact CG2-CG2 3.61Å; H421-I430 WeakPolarHBondContact CA-O 3.42Å; V422-I430 PolarHBondContact N-O 2.83Å; V422-I430 PolarHBondContact O-N 2.91Å; W424-I430 HydrophobicContact CH2-CB 4.42Å; W424-I430 HydrophobicContact CH2-CD1 3.43Å; W424-I430 VanDerWaalsContact CH2-CD1 3.43Å; W424-I430 HydrophobicContact CH2-CG1 3.97Å; W424-I430 HydrophobicContact CZ2-CD1 4.33Å; W424-I430 HydrophobicContact CZ3-CB 3.98Å; W424-I430 HydrophobicContact CZ3-CD1 3.7Å; W424-I430 HydrophobicContact CZ3-CG1 3.66Å
431	V	98.1	Very high	93.4	Very high	15 Å²	15	42 Å²	42	9%	0.091	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	104.7	172.2	-177.2	0	0	0	0	107.9	T301 C388 V389 V390 V419	T301-V431 HydrophobicContact CG2-CG1 4.22Å; C388-V431 PolarHBondContact O-N 3.05Å; V389-V431 CarbonylContact C-O 3.58Å; V389-V431 WeakPolarHBondContact CA-O 3.42Å; V389-V431 HydrophobicContact CG2-CB 3.93Å; V389-V431 HydrophobicContact CG2-CG1 4.22Å; V389-V431 HydrophobicContact CG2-CG2 4.39Å; V390-V431 PolarHBondContact N-O 3.27Å; V419-V431 HydrophobicContact CG1-CG1 3.72Å
432	L	97.7	Very high	92.4	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.7	178.5	-177.5	64	0	0	0	109.9	V390 I400 V402 W412 D420 V422	V390-L432 HydrophobicContact CB-CD1 4.4Å; I400-L432 HydrophobicContact CD1-CD1 4.48Å; V402-L432 HydrophobicContact CG1-CD2 4.13Å; V402-L432 HydrophobicContact CG2-CD2 4.14Å; W412-L432 HydrophobicContact CH2-CD2 3.49Å; W412-L432 VanDerWaalsContact CH2-CD2 3.49Å; W412-L432 HydrophobicContact CZ2-CD2 4.47Å; W412-L432 HydrophobicContact CZ3-CD2 3.91Å; D420-L432 PolarHBondContact N-O 3.1Å; D420-L432 PolarHBondContact O-N 3.48Å; V422-L432 HydrophobicContact CG2-CB 4.38Å; V422-L432 HydrophobicContact CG2-CD2 4.48Å
433	I	95.8	Very high	91.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.8	177.6	-64.7	175	0	0	0	109.9	L297 T300 T301 V389 V390 C391 E435 G436 A439 C443	L297-I433 HydrophobicContact CD2-CD1 3.94Å; T300-I433 HydrophobicContact CG2-CG2 4.09Å; T300-I433 VanDerWaalsContact OG1-CD1 3.24Å; T300-I433 WeakPolarHBondContact OG1-CD1 3.24Å; T301-I433 HydrophobicContact CG2-CD1 4.03Å; V389-I433 HydrophobicContact CG1-CD1 3.51Å; V389-I433 HydrophobicContact CG1-CG1 4.16Å; V390-I433 PolarHBondContact O-N 3.09Å; C391-I433 HydrophobicContact CB-CB 3.75Å; C391-I433 HydrophobicContact CB-CD1 3.89Å; C391-I433 HydrophobicContact CB-CG1 4.25Å; C391-I433 HydrophobicContact CB-CG2 4.22Å; I433-E435 PolarHBondContact O-N 2.95Å; I433-E435 VanDerWaalsContact O-N 3.12Å; I433-G436 PolarHBondContact O-N 2.88Å; I433-A439 HydrophobicContact CG2-CB 4.08Å; I433-C443 HydrophobicContact CG2-CB 4.49Å
434	A	91.5	Very high	91	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	52.2	29.2	175.3	0	0	0	0	0	114.9	Q418 G436 R437	Q418-A434 HydrophobicContact CB-CB 4.39Å; Q418-A434 PolarHBondContact O-N 3.16Å; A434-G436 PolarHBondContact O-N 2.89Å; A434-G436 VanDerWaalsContact O-N 3.12Å; A434-R437 HydrophobicContact CB-CB 4.26Å; A434-R437 VanDerWaalsContact O-CB 3.24Å; A434-R437 WeakPolarHBondContact O-CB 3.45Å; A434-R437 WeakPolarHBondContact O-CG 3.24Å; A434-R437 PolarHBondContact O-N 2.95Å
435	E	92.8	Very high	90.2	Very high	64 Å²	64	44.8 Å²	44.8	30%	0.299	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	49.8	35.2	-173	-54.6	165.3	-153.7	0	0	112.3	D420 I433 R437	D420-E435 WeakPolarHBondContact OD2-CG 3.42Å; I433-E435 PolarHBondContact O-N 2.95Å; I433-E435 VanDerWaalsContact O-N 3.12Å; E435-R437 VanDerWaalsContact C-N 3.3Å; E435-R437 VanDerWaalsContact CD-NH1 3.26Å; E435-R437 PolarHBondContact O-N 2.89Å; E435-R437 IonicContact OE1-NH1 3.21Å; E435-R437 IonicContact OE2-CZ 3.27Å; E435-R437 IonicContact OE2-NH1 3.27Å; E435-R437 PolarHBondContact OE2-NH1 3.26Å; E435-R437 IonicContact OE2-NH2 3.66Å; E435-R437 PolarHBondContact OE2-NH2 2.7Å; E435-R437 VanDerWaalsContact OE2-NH2 3.13Å
436	G	91.3	Very high	89.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	77.3	4.6	-178	0	0	0	0	0	115.8	N392 I433 A434	N392-G436 WeakPolarHBondContact CB-O 3.29Å; N392-G436 PolarHBondContact ND2-O 2.75Å; I433-G436 PolarHBondContact O-N 2.88Å; A434-G436 PolarHBondContact O-N 2.89Å; A434-G436 VanDerWaalsContact O-N 3.12Å
437	R	87.8	Confident	89.4	Confident	87 Å²	87	33.8 Å²	33.8	33%	0.328	19%	0.185	S	C	.	.	S	Bend	trans	-73	175.3	168.3	-57.4	-177.3	-173.8	86	2.1	110.9	N397 A434 E435 A439	N397-R437 HydrophobicContact CB-CG 4.17Å; A434-R437 HydrophobicContact CB-CB 4.26Å; A434-R437 VanDerWaalsContact O-CB 3.24Å; A434-R437 WeakPolarHBondContact O-CB 3.45Å; A434-R437 WeakPolarHBondContact O-CG 3.24Å; A434-R437 PolarHBondContact O-N 2.95Å; E435-R437 VanDerWaalsContact C-N 3.3Å; E435-R437 VanDerWaalsContact CD-NH1 3.26Å; E435-R437 PolarHBondContact O-N 2.89Å; E435-R437 IonicContact OE1-NH1 3.21Å; E435-R437 IonicContact OE2-CZ 3.27Å; E435-R437 IonicContact OE2-NH1 3.27Å; E435-R437 PolarHBondContact OE2-NH1 3.26Å; E435-R437 IonicContact OE2-NH2 3.66Å; E435-R437 PolarHBondContact OE2-NH2 2.7Å; E435-R437 VanDerWaalsContact OE2-NH2 3.13Å; R437-A439 PolarHBondContact O-N 3.3Å
438	L	87.7	Confident	89.3	Confident	33 Å²	33	32.7 Å²	32.7	17%	0.173	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-66.2	111.2	-174.6	-69.6	77.2	0	0	0	111.1	G394 L441 S442	G394-L438 WeakPolarHBondContact O-CD2 3.47Å; G394-L438 WeakPolarHBondContact O-CG 3.45Å; L438-L441 HydrophobicContact CB-CB 4.48Å; L438-L441 HydrophobicContact CD2-CD1 3.99Å; L438-L441 PolarHBondContact O-N 3.3Å; L438-S442 VanDerWaalsContact O-CB 3.23Å; L438-S442 WeakPolarHBondContact O-CB 3.35Å; L438-S442 PolarHBondContact O-N 2.86Å; L438-S442 PolarHBondContact O-OG 2.74Å
439	A	89.7	Confident	89.1	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.6	-32	-174.7	0	0	0	0	0	113.1	S296 C391 N392 M393 I433 R437 L441 C443	S296-A439 VanDerWaalsContact OG-C 3.27Å; S296-A439 PolarHBondContact OG-O 3.27Å; C391-A439 HydrophobicContact CB-CB 4.29Å; N392-A439 WeakPolarHBondContact O-CB 3.23Å; N392-A439 PolarHBondContact O-N 2.76Å; M393-A439 HydrophobicContact SD-CB 4.07Å; I433-A439 HydrophobicContact CG2-CB 4.08Å; R437-A439 PolarHBondContact O-N 3.3Å; A439-L441 VanDerWaalsContact C-N 3.3Å; A439-L441 PolarHBondContact O-N 3.41Å; A439-C443 WeakPolarHBondContact O-CA 3.4Å; A439-C443 VanDerWaalsContact O-CB 3.25Å; A439-C443 WeakPolarHBondContact O-CB 3.35Å; A439-C443 PolarHBondContact O-N 3.27Å
440	N	83	Confident	89	Confident	12 Å²	12	27.8 Å²	27.8	6%	0.064	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-33.7	177	59	-31.3	0	0	0	112.9	L288 S292 M393	L288-N440 HydrophobicContact CD2-CB 4.42Å; S292-N440 WeakPolarHBondContact OG-CB 3.36Å; M393-N440 HydrophobicContact CE-CB 3.69Å; M393-N440 HydrophobicContact SD-CB 3.95Å
441	L	76.5	Confident	88.8	Confident	87 Å²	87	29.1 Å²	29.1	46%	0.455	16%	0.162	S	C	.	.	H	α-helix	trans	-91.6	-32.5	178.4	-62.6	179.2	0	0	0	112.6	L438 A439	L438-L441 HydrophobicContact CB-CB 4.48Å; L438-L441 HydrophobicContact CD2-CD1 3.99Å; L438-L441 PolarHBondContact O-N 3.3Å; A439-L441 VanDerWaalsContact C-N 3.3Å; A439-L441 PolarHBondContact O-N 3.41Å
442	S	77.7	Confident	88.7	Confident	50 Å²	50	28.4 Å²	28.4	35%	0.35	16%	0.157	S	C	.	.	H	α-helix	trans	-90.4	-23.6	-173.4	-48.6	0	0	0	0	113.2	L438	L438-S442 VanDerWaalsContact O-CB 3.23Å; L438-S442 WeakPolarHBondContact O-CB 3.35Å; L438-S442 PolarHBondContact O-N 2.86Å; L438-S442 PolarHBondContact O-OG 2.74Å
443	C	82.7	Confident	88.7	Confident	13 Å²	13	28.6 Å²	28.6	9%	0.088	16%	0.158	C	C	.	.	S	Bend	trans	-132.2	5.1	-167.5	-54.9	0	0	0	0	114.4	S296 T300 Q418 I433 A439	S296-C443 WeakPolarHBondContact CA-O 3.49Å; T300-C443 HydrophobicContact CG2-CB 3.64Å; Q418-C443 VanDerWaalsContact CB-SG 3.59Å; I433-C443 HydrophobicContact CG2-CB 4.49Å; A439-C443 WeakPolarHBondContact O-CA 3.4Å; A439-C443 VanDerWaalsContact O-CB 3.25Å; A439-C443 WeakPolarHBondContact O-CB 3.35Å; A439-C443 PolarHBondContact O-N 3.27Å
444	S	82.6	Confident	88.6	Confident	18 Å²	18	28.7 Å²	28.7	13%	0.126	16%	0.159	C	C	.	.	S	Bend	trans	-139.6	159.8	-176.8	175	0	0	0	0	112	S292 D295 S296	S292-S444 VanDerWaalsContact CA-OG 3.28Å; S292-S444 WeakPolarHBondContact CA-OG 3.22Å; S292-S444 WeakPolarHBondContact CB-OG 3.45Å; S292-S444 PolarHBondContact O-OG 3.08Å; D295-S444 WeakPolarHBondContact CB-OG 3.43Å; D295-S444 WeakPolarHBondContact OD2-CA 3.44Å; D295-S444 WeakPolarHBondContact OD2-CB 3.25Å; D295-S444 PolarHBondContact OD2-OG 3.04Å; S296-S444 VanDerWaalsContact OG-CB 3.3Å; S296-S444 WeakPolarHBondContact OG-CB 3.39Å
445	T	81.4	Confident	88.9	Confident	81 Å²	81	28.8 Å²	28.8	50%	0.497	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-85.8	143.1	163.9	48.1	0	0	0	0	111.5	D295 R299	D295-T445 PolarHBondContact OD2-N 3.37Å; D295-T445 PolarHBondContact OD2-OG1 3Å; R299-T445 PolarHBondContact NH2-OG1 3.32Å
446	V	83.4	Confident	89.1	Confident	37 Å²	37	25.8 Å²	25.8	22%	0.224	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-92.9	132	177.9	176.9	0	0	0	0	110.6	L288 S448 V451	L288-V446 HydrophobicContact CD1-CB 4.37Å; L288-V446 HydrophobicContact CD1-CG1 3.31Å; L288-V446 HydrophobicContact CD1-CG2 4.24Å; L288-V446 HydrophobicContact CG-CG1 3.99Å; V446-S448 PolarHBondContact O-N 2.95Å; V446-V451 HydrophobicContact CB-CG2 4.34Å; V446-V451 HydrophobicContact CG1-CG2 3.29Å
447	P	89.7	Confident	89.3	Confident	20 Å²	20	25.8 Å²	25.8	13%	0.13	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-66.1	120.2	175.6	24.6	-32.9	0	0	0	111.4	L288 I449 V450 V451	L288-P447 HydrophobicContact CB-CG 4.35Å; P447-I449 VanDerWaalsContact C-N 3.25Å; P447-I449 PolarHBondContact O-N 3.33Å; P447-I449 VanDerWaalsContact O-N 3.15Å; P447-V450 HydrophobicContact CB-CG2 4.42Å; P447-V450 HydrophobicContact CG-CB 4.17Å; P447-V450 HydrophobicContact CG-CG2 3.82Å; P447-V450 PolarHBondContact O-N 3.32Å; P447-V451 PolarHBondContact O-N 3.44Å
448	S	93.2	Very high	89.8	Confident	26 Å²	26	21.8 Å²	21.8	18%	0.182	13%	0.131	C	C	.	.	H	α-helix	trans	-54.7	-36	-174.5	-57.7	0	0	0	0	114.2	E122 H153 V446 V450 V451 S452	E122-S448 VanDerWaalsContact CB-CB 3.4Å; E122-S448 CarbonylContact O-C 3.6Å; H153-S448 WeakPolarHBondContact NE2-CA 3.43Å; H153-S448 WeakPolarHBondContact NE2-CB 3.25Å; H153-S448 PolarHBondContact NE2-OG 2.95Å; V446-S448 PolarHBondContact O-N 2.95Å; S448-V450 VanDerWaalsContact C-N 3.33Å; S448-V450 PolarHBondContact O-N 2.85Å; S448-V451 PolarHBondContact O-N 3.03Å; S448-S452 PolarHBondContact O-N 3.36Å
449	I	94.3	Very high	90.3	Very high	30 Å²	30	20.2 Å²	20.2	15%	0.154	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-37.3	177.7	-179.2	140.4	0	0	0	112.9	E122 P124 P447 V451 S452 V453 L495 F496	E122-I449 WeakPolarHBondContact O-CA 3.38Å; E122-I449 PolarHBondContact O-N 3.49Å; P124-I449 HydrophobicContact CG-CD1 4.44Å; P447-I449 VanDerWaalsContact C-N 3.25Å; P447-I449 PolarHBondContact O-N 3.33Å; P447-I449 VanDerWaalsContact O-N 3.15Å; I449-V451 VanDerWaalsContact C-N 3.31Å; I449-V451 PolarHBondContact O-N 3.3Å; I449-S452 VanDerWaalsContact O-CB 3.26Å; I449-S452 WeakPolarHBondContact O-CB 3.46Å; I449-S452 PolarHBondContact O-N 3.15Å; I449-V453 WeakPolarHBondContact O-CG2 3.38Å; I449-V453 PolarHBondContact O-N 2.96Å; I449-V453 VanDerWaalsContact O-N 3.08Å; I449-L495 HydrophobicContact CD1-CD2 3.2Å; I449-L495 HydrophobicContact CD1-CG 4.46Å; I449-F496 HydrophobicContact CD1-CE2 3.66Å; I449-F496 HydrophobicContact CD1-CZ 3.54Å; I449-F496 HydrophobicContact CG1-CZ 4.49Å
450	V	93.8	Very high	90.6	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.042	12%	0.124	C	C	.	.	H	α-helix	trans	-66.6	-41.1	177.9	176	0	0	0	0	109.9	F283 D284 L288 P447 S448 S452 V453 S454	F283-V450 VanDerWaalsContact C-CG1 3.42Å; F283-V450 HydrophobicContact CB-CG1 4.06Å; F283-V450 WeakPolarHBondContact O-CG1 3.5Å; D284-V450 HydrophobicContact CB-CG1 4.2Å; L288-V450 HydrophobicContact CB-CB 4.2Å; L288-V450 HydrophobicContact CB-CG1 3.69Å; L288-V450 HydrophobicContact CB-CG2 4.33Å; L288-V450 HydrophobicContact CD1-CG1 4.2Å; P447-V450 HydrophobicContact CB-CG2 4.42Å; P447-V450 HydrophobicContact CG-CB 4.17Å; P447-V450 HydrophobicContact CG-CG2 3.82Å; P447-V450 PolarHBondContact O-N 3.32Å; S448-V450 VanDerWaalsContact C-N 3.33Å; S448-V450 PolarHBondContact O-N 2.85Å; V450-S452 VanDerWaalsContact C-N 3.31Å; V450-S452 PolarHBondContact O-N 3.25Å; V450-V453 WeakPolarHBondContact O-CB 3.38Å; V450-V453 PolarHBondContact O-N 2.53Å; V450-S454 PolarHBondContact O-N 3.05Å; V450-S454 VanDerWaalsContact O-N 3.15Å
451	V	93.3	Very high	91.3	Very high	31 Å²	31	19.9 Å²	19.9	19%	0.188	12%	0.121	C	C	.	.	H	α-helix	trans	-65	-36.6	174.2	-165.5	0	0	0	0	111.4	M123 H153 V446 P447 S448 I449 V453 S454 A455	M123-V451 HydrophobicContact CE-CB 4.25Å; M123-V451 HydrophobicContact CE-CG1 4.09Å; H153-V451 HydrophobicContact CB-CB 4.15Å; H153-V451 HydrophobicContact CB-CG1 3.57Å; H153-V451 HydrophobicContact CB-CG2 4.48Å; V446-V451 HydrophobicContact CB-CG2 4.34Å; V446-V451 HydrophobicContact CG1-CG2 3.29Å; P447-V451 PolarHBondContact O-N 3.44Å; S448-V451 PolarHBondContact O-N 3.03Å; I449-V451 VanDerWaalsContact C-N 3.31Å; I449-V451 PolarHBondContact O-N 3.3Å; V451-V453 VanDerWaalsContact C-N 3.27Å; V451-V453 PolarHBondContact O-N 3.05Å; V451-S454 PolarHBondContact O-N 2.93Å; V451-A455 WeakPolarHBondContact O-CB 3.35Å; V451-A455 PolarHBondContact O-N 2.79Å
452	S	97.3	Very high	92.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.1	-42.3	174.3	-175.9	0	0	0	0	112.2	M123 G125 S448 I449 V450 S456 H492	M123-S452 VanDerWaalsContact C-OG 3.25Å; M123-S452 VanDerWaalsContact CA-OG 3.31Å; M123-S452 WeakPolarHBondContact CA-OG 3.35Å; G125-S452 PolarHBondContact N-OG 3.45Å; S448-S452 PolarHBondContact O-N 3.36Å; I449-S452 VanDerWaalsContact O-CB 3.26Å; I449-S452 WeakPolarHBondContact O-CB 3.46Å; I449-S452 PolarHBondContact O-N 3.15Å; V450-S452 VanDerWaalsContact C-N 3.31Å; V450-S452 PolarHBondContact O-N 3.25Å; S452-S456 VanDerWaalsContact O-CB 3.25Å; S452-S456 WeakPolarHBondContact O-CB 3.3Å; S452-S456 PolarHBondContact O-N 3.24Å; S452-S456 PolarHBondContact O-OG 2.97Å; S452-H492 VanDerWaalsContact C-NE2 3.27Å; S452-H492 WeakPolarHBondContact CB-NE2 3.39Å; S452-H492 PolarHBondContact O-NE2 3.49Å; S452-H492 PolarHBondContact OG-CD2 3.03Å; S452-H492 PolarHBondContact OG-NE2 3.4Å
453	V	97.1	Very high	93.2	Very high	4 Å²	4	13.9 Å²	13.9	2%	0.024	9%	0.085	C	C	.	.	H	α-helix	trans	-63.9	-55.6	177.9	177	0	0	0	0	109.5	T279 F283 I449 V450 V451 A455 S456 T457 V488 H492	T279-V453 VanDerWaalsContact CB-CG1 3.5Å; T279-V453 HydrophobicContact CG2-CG1 4.17Å; T279-V453 WeakPolarHBondContact O-CG1 3.32Å; F283-V453 HydrophobicContact CB-CG1 4.33Å; F283-V453 HydrophobicContact CD1-CG1 4.39Å; F283-V453 HydrophobicContact CD1-CG2 4.19Å; F283-V453 HydrophobicContact CD2-CG1 4.19Å; F283-V453 HydrophobicContact CG-CG1 4.05Å; I449-V453 WeakPolarHBondContact O-CG2 3.38Å; I449-V453 PolarHBondContact O-N 2.96Å; I449-V453 VanDerWaalsContact O-N 3.08Å; V450-V453 WeakPolarHBondContact O-CB 3.38Å; V450-V453 PolarHBondContact O-N 2.53Å; V451-V453 VanDerWaalsContact C-N 3.27Å; V451-V453 PolarHBondContact O-N 3.05Å; V453-A455 PolarHBondContact O-N 3.08Å; V453-S456 PolarHBondContact O-N 3.09Å; V453-T457 PolarHBondContact O-N 2.93Å; V453-T457 VanDerWaalsContact O-N 3.09Å; V453-T457 PolarHBondContact O-OG1 3.28Å; V453-V488 HydrophobicContact CG1-CG1 3.97Å; V453-H492 HydrophobicContact CG2-CB 4.48Å; V453-H492 VanDerWaalsContact CG2-CD2 3.48Å; V453-H492 WeakPolarHBondContact CG2-CD2 3.31Å; V453-H492 PolarHBondContact N-NE2 2.82Å
454	S	94.3	Very high	93.9	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.014	8%	0.083	C	C	.	.	H	α-helix	trans	-57.3	-47.5	178.7	-63.4	0	0	0	0	112.8	V450 V451 S456 T457 Q458	V450-S454 PolarHBondContact O-N 3.05Å; V450-S454 VanDerWaalsContact O-N 3.15Å; V451-S454 PolarHBondContact O-N 2.93Å; S454-S456 VanDerWaalsContact C-N 3.34Å; S454-S456 PolarHBondContact O-N 2.83Å; S454-T457 VanDerWaalsContact O-CB 3.32Å; S454-T457 WeakPolarHBondContact O-CB 3.29Å; S454-T457 PolarHBondContact O-N 2.75Å; S454-T457 VanDerWaalsContact O-N 3.12Å; S454-Q458 WeakPolarHBondContact O-CG 3.34Å; S454-Q458 PolarHBondContact O-N 3.12Å
455	A	96.7	Very high	94.5	Very high	3 Å²	3	13 Å²	13	3%	0.025	8%	0.078	C	C	.	.	H	α-helix	trans	-64.7	-36.6	-179.6	0	0	0	0	0	112.2	M123 L126 L157 V451 V453 T457 Q458 I459	M123-A455 HydrophobicContact CE-CB 4.24Å; L126-A455 HydrophobicContact CD1-CB 3.96Å; L126-A455 HydrophobicContact CD2-CB 4.02Å; L126-A455 HydrophobicContact CG-CB 4.33Å; L157-A455 HydrophobicContact CB-CB 4.28Å; L157-A455 HydrophobicContact CD1-CB 4.28Å; L157-A455 HydrophobicContact CD2-CB 4.41Å; V451-A455 WeakPolarHBondContact O-CB 3.35Å; V451-A455 PolarHBondContact O-N 2.79Å; V453-A455 PolarHBondContact O-N 3.08Å; A455-T457 VanDerWaalsContact C-N 3.31Å; A455-T457 PolarHBondContact O-N 3.3Å; A455-Q458 PolarHBondContact O-N 2.78Å; A455-I459 WeakPolarHBondContact O-CG1 3.31Å; A455-I459 PolarHBondContact O-N 3.03Å
456	S	97.6	Very high	95.3	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.7	-40.1	173.6	-61.2	0	0	0	0	111.1	G125 S452 V453 S454 I459 L460 H492	G125-S456 WeakPolarHBondContact CA-OG 3.28Å; S452-S456 VanDerWaalsContact O-CB 3.25Å; S452-S456 WeakPolarHBondContact O-CB 3.3Å; S452-S456 PolarHBondContact O-N 3.24Å; S452-S456 PolarHBondContact O-OG 2.97Å; V453-S456 PolarHBondContact O-N 3.09Å; S454-S456 VanDerWaalsContact C-N 3.34Å; S454-S456 PolarHBondContact O-N 2.83Å; S456-I459 PolarHBondContact O-N 3.27Å; S456-L460 WeakPolarHBondContact O-CG 3.3Å; S456-L460 PolarHBondContact O-N 3Å; S456-H492 PolarHBondContact OG-CE1 3.44Å
457	T	96.6	Very high	95.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.3	-43.5	175.6	-50.7	0	0	0	0	111.6	I274 T279 V453 S454 A455 L460 A461 L480	I274-T457 HydrophobicContact CD1-CG2 4.5Å; I274-T457 HydrophobicContact CG2-CG2 3.73Å; T279-T457 PolarHBondContact OG1-OG1 3.09Å; V453-T457 PolarHBondContact O-N 2.93Å; V453-T457 VanDerWaalsContact O-N 3.09Å; V453-T457 PolarHBondContact O-OG1 3.28Å; S454-T457 VanDerWaalsContact O-CB 3.32Å; S454-T457 WeakPolarHBondContact O-CB 3.29Å; S454-T457 PolarHBondContact O-N 2.75Å; S454-T457 VanDerWaalsContact O-N 3.12Å; A455-T457 VanDerWaalsContact C-N 3.31Å; A455-T457 PolarHBondContact O-N 3.3Å; T457-L460 PolarHBondContact O-N 3.33Å; T457-A461 WeakPolarHBondContact O-CB 3.38Å; T457-A461 PolarHBondContact O-N 3.47Å; T457-L480 HydrophobicContact CG2-CD2 3.58Å
458	Q	97	Very high	96.1	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.019	8%	0.08	C	C	.	.	H	α-helix	trans	-61.1	-46	175	-66.5	170.1	20.2	0	0	112.3	L157 L223 E250 I274 S454 A455 L460 A461 L462	L157-Q458 VanDerWaalsContact CD2-OE1 3.24Å; L223-Q458 HydrophobicContact CD1-CB 4.1Å; L223-Q458 HydrophobicContact CD1-CG 4.16Å; E250-Q458 PolarHBondContact OE1-NE2 3.32Å; E250-Q458 VanDerWaalsContact OE1-NE2 3.08Å; E250-Q458 PolarHBondContact OE2-NE2 2.79Å; I274-Q458 HydrophobicContact CG2-CG 4.11Å; S454-Q458 WeakPolarHBondContact O-CG 3.34Å; S454-Q458 PolarHBondContact O-N 3.12Å; A455-Q458 PolarHBondContact O-N 2.78Å; Q458-L460 VanDerWaalsContact C-N 3.33Å; Q458-L460 PolarHBondContact O-N 3.01Å; Q458-A461 WeakPolarHBondContact O-CB 3.26Å; Q458-A461 PolarHBondContact O-N 2.81Å; Q458-L462 WeakPolarHBondContact O-CG 3.01Å; Q458-L462 PolarHBondContact O-N 3.37Å
459	I	97.6	Very high	96.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.6	-43.3	177.8	-70.9	-177.9	0	0	0	111.4	L126 L129 L157 T160 M161 L164 A455 S456 A461 L462 I463	L126-I459 HydrophobicContact CD2-CD1 3.52Å; L126-I459 HydrophobicContact CD2-CG1 4.48Å; L129-I459 HydrophobicContact CD1-CB 4.24Å; L129-I459 HydrophobicContact CD1-CD1 4.27Å; L129-I459 HydrophobicContact CD1-CG2 3.96Å; L157-I459 HydrophobicContact CD1-CD1 3.7Å; L157-I459 HydrophobicContact CD1-CG1 3.43Å; L157-I459 VanDerWaalsContact CD1-CG1 3.43Å; T160-I459 HydrophobicContact CG2-CD1 3.4Å; M161-I459 HydrophobicContact CG-CD1 4.35Å; M161-I459 HydrophobicContact CG-CG1 4.12Å; L164-I459 HydrophobicContact CD1-CD1 4.35Å; L164-I459 HydrophobicContact CD1-CG2 3.43Å; L164-I459 VanDerWaalsContact CD1-CG2 3.43Å; A455-I459 WeakPolarHBondContact O-CG1 3.31Å; A455-I459 PolarHBondContact O-N 3.03Å; S456-I459 PolarHBondContact O-N 3.27Å; I459-A461 VanDerWaalsContact C-N 3.31Å; I459-A461 PolarHBondContact O-N 3.48Å; I459-L462 PolarHBondContact O-N 3.08Å; I459-I463 HydrophobicContact CG2-CD1 3.79Å; I459-I463 HydrophobicContact CG2-CG1 4.41Å; I459-I463 VanDerWaalsContact O-CG1 3.3Å; I459-I463 WeakPolarHBondContact O-CG1 3.42Å; I459-I463 PolarHBondContact O-N 2.95Å
460	L	97	Very high	96	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-66.8	-35.2	178.4	-67	-174.5	0	0	0	112.3	L129 S456 T457 Q458 I463 E464 M484 Y487 V488	L129-L460 HydrophobicContact CD2-CD2 4.27Å; S456-L460 WeakPolarHBondContact O-CG 3.3Å; S456-L460 PolarHBondContact O-N 3Å; T457-L460 PolarHBondContact O-N 3.33Å; Q458-L460 VanDerWaalsContact C-N 3.33Å; Q458-L460 PolarHBondContact O-N 3.01Å; L460-I463 HydrophobicContact CD2-CD1 4.3Å; L460-I463 PolarHBondContact O-N 3.32Å; L460-E464 WeakPolarHBondContact O-CB 3.21Å; L460-E464 PolarHBondContact O-N 3.04Å; L460-M484 HydrophobicContact CB-CB 4.48Å; L460-M484 HydrophobicContact CB-SD 4.45Å; L460-M484 HydrophobicContact CD1-CB 4.06Å; L460-M484 WeakPolarHBondContact CD1-O 3.47Å; L460-Y487 HydrophobicContact CD1-CD1 3.64Å; L460-Y487 HydrophobicContact CD1-CE1 4.24Å; L460-Y487 HydrophobicContact CD2-CD1 4.24Å; L460-Y487 HydrophobicContact CD2-CE1 4.11Å; L460-V488 HydrophobicContact CD1-CG2 3.42Å; L460-V488 VanDerWaalsContact CD1-CG2 3.42Å; L460-V488 HydrophobicContact CG-CG2 4.32Å
461	A	97.2	Very high	95.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.4	-42.2	173.2	0	0	0	0	0	112.5	V248 M272 I274 T457 Q458 I459 E464 L465 L480	V248-A461 HydrophobicContact CG1-CB 3.84Å; V248-A461 HydrophobicContact CG2-CB 3.82Å; M272-A461 HydrophobicContact CB-CB 4.36Å; M272-A461 HydrophobicContact SD-CB 3.66Å; I274-A461 HydrophobicContact CD1-CB 3.33Å; I274-A461 HydrophobicContact CG1-CB 4.3Å; T457-A461 WeakPolarHBondContact O-CB 3.38Å; T457-A461 PolarHBondContact O-N 3.47Å; Q458-A461 WeakPolarHBondContact O-CB 3.26Å; Q458-A461 PolarHBondContact O-N 2.81Å; I459-A461 VanDerWaalsContact C-N 3.31Å; I459-A461 PolarHBondContact O-N 3.48Å; A461-E464 PolarHBondContact O-N 2.87Å; A461-L465 PolarHBondContact O-N 2.85Å; A461-L480 HydrophobicContact CB-CD1 3.95Å
462	L	97.8	Very high	95.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-45.5	173.8	-72	165.4	0	0	0	111.1	L139 I144 M161 V221 L223 V248 Q458 I459 E464 Y466	L139-L462 HydrophobicContact CD2-CB 4.42Å; I144-L462 HydrophobicContact CD1-CD1 4.27Å; I144-L462 HydrophobicContact CG2-CD2 4.33Å; M161-L462 HydrophobicContact CG-CD1 4.49Å; M161-L462 HydrophobicContact SD-CD1 3.51Å; M161-L462 VanDerWaalsContact SD-CD1 3.51Å; V221-L462 HydrophobicContact CG1-CD2 4.37Å; V221-L462 HydrophobicContact CG2-CD2 3.6Å; L223-L462 HydrophobicContact CB-CD2 4.42Å; L223-L462 HydrophobicContact CD2-CD1 4.24Å; V248-L462 HydrophobicContact CB-CD2 4.23Å; V248-L462 HydrophobicContact CB-CG 4.44Å; V248-L462 HydrophobicContact CG2-CD2 3.7Å; V248-L462 HydrophobicContact CG2-CG 3.88Å; Q458-L462 WeakPolarHBondContact O-CG 3.01Å; Q458-L462 PolarHBondContact O-N 3.37Å; I459-L462 PolarHBondContact O-N 3.08Å; L462-E464 VanDerWaalsContact C-N 3.32Å; L462-E464 PolarHBondContact O-N 3.44Å; L462-Y466 WeakPolarHBondContact O-CB 3.44Å; L462-Y466 PolarHBondContact O-N 3.23Å
463	I	97	Very high	95.7	Very high	10 Å²	10	25.9 Å²	25.9	5%	0.051	17%	0.167	C	C	.	.	H	α-helix	trans	-60.4	-43	176	-71.8	168	0	0	0	111	P138 L139 L164 I459 L460 N467	P138-I463 HydrophobicContact CB-CD1 4.17Å; P138-I463 HydrophobicContact CB-CG1 4.12Å; P138-I463 HydrophobicContact CB-CG2 4.08Å; P138-I463 HydrophobicContact CG-CD1 3.68Å; P138-I463 HydrophobicContact CG-CG1 4.04Å; L139-I463 HydrophobicContact CD1-CG1 4.18Å; L139-I463 HydrophobicContact CD2-CB 4.43Å; L139-I463 HydrophobicContact CD2-CG1 3.73Å; L139-I463 HydrophobicContact CG-CG1 3.78Å; L164-I463 HydrophobicContact CD1-CD1 4.4Å; I459-I463 HydrophobicContact CG2-CD1 3.79Å; I459-I463 HydrophobicContact CG2-CG1 4.41Å; I459-I463 VanDerWaalsContact O-CG1 3.3Å; I459-I463 WeakPolarHBondContact O-CG1 3.42Å; I459-I463 PolarHBondContact O-N 2.95Å; L460-I463 HydrophobicContact CD2-CD1 4.3Å; L460-I463 PolarHBondContact O-N 3.32Å; I463-N467 WeakPolarHBondContact O-CB 3.5Å; I463-N467 PolarHBondContact O-N 3.25Å; I463-N467 PolarHBondContact O-ND2 3.25Å
464	E	96.2	Very high	95.6	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.033	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-53.3	179.8	177.6	54.3	-110	0	0	111.4	M272 L460 A461 L462 Y466 N467 A468 R472 Y473 P481 M484	M272-E464 HydrophobicContact CE-CB 3.81Å; M272-E464 HydrophobicContact CE-CG 3.27Å; M272-E464 HydrophobicContact SD-CB 4.4Å; M272-E464 HydrophobicContact SD-CG 4.35Å; L460-E464 WeakPolarHBondContact O-CB 3.21Å; L460-E464 PolarHBondContact O-N 3.04Å; A461-E464 PolarHBondContact O-N 2.87Å; L462-E464 VanDerWaalsContact C-N 3.32Å; L462-E464 PolarHBondContact O-N 3.44Å; E464-Y466 VanDerWaalsContact C-N 3.32Å; E464-Y466 PolarHBondContact O-N 3.03Å; E464-N467 PolarHBondContact O-N 3.22Å; E464-A468 WeakPolarHBondContact O-CA 3.44Å; E464-A468 VanDerWaalsContact O-CB 3.24Å; E464-A468 WeakPolarHBondContact O-CB 3.39Å; E464-A468 PolarHBondContact O-N 3.4Å; E464-R472 VanDerWaalsContact CD-CZ 3.48Å; E464-R472 VanDerWaalsContact CD-NH1 3.35Å; E464-R472 IonicContact OE1-CZ 3.54Å; E464-R472 IonicContact OE1-NE 3.43Å; E464-R472 IonicContact OE1-NH1 2.83Å; E464-R472 PolarHBondContact OE1-NH1 3.42Å; E464-R472 IonicContact OE1-NH2 3.65Å; E464-R472 PolarHBondContact OE1-NH2 3.49Å; E464-R472 IonicContact OE2-CZ 3.46Å; E464-R472 IonicContact OE2-NH1 3.27Å; E464-R472 PolarHBondContact OE2-NH1 3.11Å; E464-R472 IonicContact OE2-NH2 2.69Å; E464-R472 PolarHBondContact OE2-NH2 3.23Å; E464-Y473 HydrophobicContact CG-CE2 4.15Å; E464-Y473 WeakPolarHBondContact CG-OH 3.49Å; E464-Y473 WeakPolarHBondContact OE1-CE2 3.5Å; E464-Y473 PolarHBondContact OE1-OH 3.14Å; E464-P481 HydrophobicContact CG-CG 4.29Å; E464-M484 HydrophobicContact CB-CE 3.87Å; E464-M484 HydrophobicContact CB-SD 3.84Å; E464-M484 HydrophobicContact CG-CE 4.17Å; E464-M484 HydrophobicContact CG-SD 4.19Å; E464-M484 WeakPolarHBondContact OE2-CE 2.98Å
465	L	96.6	Very high	95.7	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-40.7	178.2	-75	176	0	0	0	112.4	I247 V248 P270 M272 A461 Y473	I247-L465 WeakPolarHBondContact O-CD1 2.9Å; V248-L465 HydrophobicContact CG2-CD1 3.66Å; P270-L465 HydrophobicContact CB-CD2 4.42Å; P270-L465 HydrophobicContact CG-CD2 4.49Å; M272-L465 HydrophobicContact CB-CD1 4.23Å; M272-L465 HydrophobicContact CE-CD1 4.5Å; M272-L465 HydrophobicContact CE-CD2 3.5Å; M272-L465 VanDerWaalsContact CE-CD2 3.5Å; M272-L465 HydrophobicContact CE-CG 3.5Å; M272-L465 HydrophobicContact CG-CD1 3.88Å; M272-L465 HydrophobicContact CG-CD2 3.96Å; M272-L465 HydrophobicContact CG-CG 3.85Å; M272-L465 HydrophobicContact SD-CD1 4.28Å; M272-L465 HydrophobicContact SD-CD2 4.29Å; M272-L465 HydrophobicContact SD-CG 3.82Å; A461-L465 PolarHBondContact O-N 2.85Å; L465-Y473 HydrophobicContact CD2-CD2 4.15Å; L465-Y473 HydrophobicContact CD2-CE2 4.49Å; L465-Y473 HydrophobicContact CD2-CG 4.48Å
466	Y	97.2	Very high	95.7	Very high	61 Å²	61	38.3 Å²	38.3	24%	0.239	23%	0.225	C	C	.	.	H	α-helix	trans	-71.1	-37.4	-176.8	-176.8	-106.4	0	0	0	113.1	L139 K140 G141 A142 L462 E464	L139-Y466 HydrophobicContact CD2-CD1 4.33Å; L139-Y466 HydrophobicContact CD2-CG 4.49Å; K140-Y466 PolarHBondContact O-OH 3.19Å; G141-Y466 WeakPolarHBondContact CA-OH 3.47Å; G141-Y466 PolarHBondContact O-OH 3.17Å; A142-Y466 HydrophobicContact CB-CD1 4.29Å; A142-Y466 HydrophobicContact CB-CD2 3.91Å; A142-Y466 HydrophobicContact CB-CE1 4.16Å; A142-Y466 HydrophobicContact CB-CE2 3.78Å; A142-Y466 HydrophobicContact CB-CG 4.17Å; A142-Y466 PolarHBondContact N-OH 3.17Å; A142-Y466 VanDerWaalsContact N-OH 3.17Å; L462-Y466 WeakPolarHBondContact O-CB 3.44Å; L462-Y466 PolarHBondContact O-N 3.23Å; E464-Y466 VanDerWaalsContact C-N 3.32Å; E464-Y466 PolarHBondContact O-N 3.03Å
467	N	96.1	Very high	95.7	Very high	85 Å²	85	38.3 Å²	38.3	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-98.2	-0.5	-178.1	-62.9	-66	0	0	0	113.7	P138 I463 E464	P138-N467 PolarHBondContact O-ND2 2.72Å; P138-N467 PolarHBondContact O-OD1 2.84Å; I463-N467 WeakPolarHBondContact O-CB 3.5Å; I463-N467 PolarHBondContact O-N 3.25Å; I463-N467 PolarHBondContact O-ND2 3.25Å; E464-N467 PolarHBondContact O-N 3.22Å
468	A	94.9	Very high	95.7	Very high	24 Å²	24	39 Å²	39	20%	0.198	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-58.8	133.9	179.4	0	0	0	0	0	111.3	E464 A470 R472 Y473	E464-A468 WeakPolarHBondContact O-CA 3.44Å; E464-A468 VanDerWaalsContact O-CB 3.24Å; E464-A468 WeakPolarHBondContact O-CB 3.39Å; E464-A468 PolarHBondContact O-N 3.4Å; A468-A470 PolarHBondContact O-N 3.03Å; A468-R472 HydrophobicContact CB-CB 4.37Å; A468-Y473 HydrophobicContact CB-CD2 3.69Å; A468-Y473 HydrophobicContact CB-CE2 3.7Å
469	P	94.3	Very high	95.6	Very high	68 Å²	68	42.5 Å²	42.5	44%	0.442	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-55.5	142	170.9	-25.3	33.8	0	0	0	111.4	L13 G471 R472	L13-P469 HydrophobicContact CD1-CG 4.33Å; P469-G471 PolarHBondContact O-N 3.44Å; P469-R472 WeakPolarHBondContact O-CB 3.47Å; P469-R472 PolarHBondContact O-N 3.49Å
470	A	89.5	Confident	95.3	Very high	110 Å²	110	42.8 Å²	42.8	91%	0.909	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	129.2	178.9	0	0	0	0	0	111.1	A468	A468-A470 PolarHBondContact O-N 3.03Å
471	G	90.2	Very high	95.1	Very high	70 Å²	70	44.3 Å²	44.3	72%	0.722	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-3.6	-179.1	0	0	0	0	0	115.9	P469 Y473	P469-G471 PolarHBondContact O-N 3.44Å; G471-Y473 VanDerWaalsContact C-N 3.35Å; G471-Y473 PolarHBondContact O-N 2.94Å
472	R	93.8	Very high	94.9	Very high	60 Å²	60	46.5 Å²	46.5	23%	0.226	27%	0.268	C	S	.	.	S	Bend	trans	-61.9	-41	175.4	177.5	172.7	176	-170.3	-12.5	112.9	E464 A468 P469	E464-R472 VanDerWaalsContact CD-CZ 3.48Å; E464-R472 VanDerWaalsContact CD-NH1 3.35Å; E464-R472 IonicContact OE1-CZ 3.54Å; E464-R472 IonicContact OE1-NE 3.43Å; E464-R472 IonicContact OE1-NH1 2.83Å; E464-R472 PolarHBondContact OE1-NH1 3.42Å; E464-R472 IonicContact OE1-NH2 3.65Å; E464-R472 PolarHBondContact OE1-NH2 3.49Å; E464-R472 IonicContact OE2-CZ 3.46Å; E464-R472 IonicContact OE2-NH1 3.27Å; E464-R472 PolarHBondContact OE2-NH1 3.11Å; E464-R472 IonicContact OE2-NH2 2.69Å; E464-R472 PolarHBondContact OE2-NH2 3.23Å; A468-R472 HydrophobicContact CB-CB 4.37Å; P469-R472 WeakPolarHBondContact O-CB 3.47Å; P469-R472 PolarHBondContact O-N 3.49Å
473	Y	95.8	Very high	94.7	Very high	26 Å²	26	49.3 Å²	49.3	10%	0.102	28%	0.28	C	S	.	.	S	Bend	trans	-114.6	131.9	178.1	-62.6	-71.6	0	0	0	109.4	M272 E464 L465 A468 G471 Y478	M272-Y473 HydrophobicContact CE-CE1 4.22Å; M272-Y473 HydrophobicContact CE-CE2 3.93Å; E464-Y473 HydrophobicContact CG-CE2 4.15Å; E464-Y473 WeakPolarHBondContact CG-OH 3.49Å; E464-Y473 WeakPolarHBondContact OE1-CE2 3.5Å; E464-Y473 PolarHBondContact OE1-OH 3.14Å; L465-Y473 HydrophobicContact CD2-CD2 4.15Å; L465-Y473 HydrophobicContact CD2-CE2 4.49Å; L465-Y473 HydrophobicContact CD2-CG 4.48Å; A468-Y473 HydrophobicContact CB-CD2 3.69Å; A468-Y473 HydrophobicContact CB-CE2 3.7Å; G471-Y473 VanDerWaalsContact C-N 3.35Å; G471-Y473 PolarHBondContact O-N 2.94Å; Y473-Y478 AromaticContact CD1-CD1 3.84Å; Y473-Y478 HydrophobicContact CD1-CD1 3.84Å; Y473-Y478 AromaticContact CD1-CD2 3.62Å; Y473-Y478 HydrophobicContact CD1-CD2 3.62Å; Y473-Y478 AromaticContact CD1-CE1 3.98Å; Y473-Y478 HydrophobicContact CD1-CE1 3.98Å; Y473-Y478 AromaticContact CD1-CE2 3.76Å; Y473-Y478 HydrophobicContact CD1-CE2 3.76Å; Y473-Y478 AromaticContact CD1-CG 3.65Å; Y473-Y478 HydrophobicContact CD1-CG 3.65Å; Y473-Y478 AromaticContact CD1-CZ 3.93Å; Y473-Y478 HydrophobicContact CE1-CD1 4.06Å; Y473-Y478 HydrophobicContact CE1-CD2 4.33Å; Y473-Y478 AromaticContact CE1-CG 3.94Å; Y473-Y478 HydrophobicContact CE1-CG 3.94Å; Y473-Y478 HydrophobicContact CG-CD2 4.44Å; Y473-Y478 HydrophobicContact CG-CE2 4.39Å
474	K	95	Very high	94.6	Very high	157 Å²	157	50 Å²	50	68%	0.683	28%	0.283	S	S	*	.			trans	-94.9	176.1	171.7	-62.6	-177	179.4	179.7	0	109.1	P270 D476 Y478	P270-K474 WeakPolarHBondContact CA-O 3.48Å; P270-K474 VanDerWaalsContact CB-O 3.28Å; P270-K474 WeakPolarHBondContact CB-O 3.45Å; K474-D476 PolarHBondContact O-N 3.3Å; K474-Y478 PolarHBondContact N-OH 3.49Å; K474-Y478 WeakPolarHBondContact O-CE2 3.36Å
475	N	95.9	Very high	94.5	Very high	86 Å²	86	50.1 Å²	50.1	46%	0.46	28%	0.284	S	S	.	.	S	Bend	trans	-71.6	73.2	176.3	-65.2	4.5	0	0	0	111.3	L267 G268	L267-N475 WeakPolarHBondContact O-CB 3.32Å; L267-N475 PolarHBondContact O-ND2 2.89Å; L267-N475 VanDerWaalsContact O-ND2 3.1Å; G268-N475 PolarHBondContact O-ND2 3.41Å
476	D	97.3	Very high	94.4	Very high	26 Å²	26	51.7 Å²	51.7	14%	0.139	29%	0.291	C	S	.	.	S	Bend	trans	-146.2	173.2	-179.3	-149.8	-25	0	0	0	109.4	P19 A271 K474 Y478	P19-D476 HydrophobicContact CB-CB 4.33Å; P19-D476 WeakPolarHBondContact CB-OD2 3.32Å; A271-D476 PolarHBondContact N-O 3.11Å; K474-D476 PolarHBondContact O-N 3.3Å; D476-Y478 HydrophobicContact CB-CE2 3.88Å; D476-Y478 WeakPolarHBondContact O-CD2 3.24Å; D476-Y478 WeakPolarHBondContact O-CE2 3.49Å
477	V	97.3	Very high	94.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.3	178.7	-178.9	0	0	0	0	109.9	L258 Y259 V262 A271 N273	L258-V477 HydrophobicContact CB-CG2 3.69Å; Y259-V477 HydrophobicContact CD1-CB 4.19Å; Y259-V477 HydrophobicContact CD1-CG2 4.12Å; Y259-V477 HydrophobicContact CE1-CB 3.71Å; Y259-V477 HydrophobicContact CE1-CG1 3.93Å; Y259-V477 HydrophobicContact CE1-CG2 4.14Å; V262-V477 HydrophobicContact CG2-CG2 3.92Å; A271-V477 HydrophobicContact CB-CG2 4.42Å; A271-V477 WeakPolarHBondContact O-CA 3.39Å; N273-V477 HydrophobicContact CB-CG1 3.69Å
478	Y	96.3	Very high	94.4	Very high	14 Å²	14	46.9 Å²	46.9	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	154.9	-178.6	-62.2	-90.7	0	0	0	111.5	P19 A271 M272 N273 Y473 K474 D476	P19-Y478 HydrophobicContact CB-CE1 4.45Å; A271-Y478 PolarHBondContact O-N 3.07Å; M272-Y478 WeakPolarHBondContact CA-O 3.48Å; N273-Y478 PolarHBondContact N-O 3.49Å; Y473-Y478 AromaticContact CD1-CD1 3.84Å; Y473-Y478 HydrophobicContact CD1-CD1 3.84Å; Y473-Y478 AromaticContact CD1-CD2 3.62Å; Y473-Y478 HydrophobicContact CD1-CD2 3.62Å; Y473-Y478 AromaticContact CD1-CE1 3.98Å; Y473-Y478 HydrophobicContact CD1-CE1 3.98Å; Y473-Y478 AromaticContact CD1-CE2 3.76Å; Y473-Y478 HydrophobicContact CD1-CE2 3.76Å; Y473-Y478 AromaticContact CD1-CG 3.65Å; Y473-Y478 HydrophobicContact CD1-CG 3.65Å; Y473-Y478 AromaticContact CD1-CZ 3.93Å; Y473-Y478 HydrophobicContact CE1-CD1 4.06Å; Y473-Y478 HydrophobicContact CE1-CD2 4.33Å; Y473-Y478 AromaticContact CE1-CG 3.94Å; Y473-Y478 HydrophobicContact CE1-CG 3.94Å; Y473-Y478 HydrophobicContact CG-CD2 4.44Å; Y473-Y478 HydrophobicContact CG-CE2 4.39Å; K474-Y478 PolarHBondContact N-OH 3.49Å; K474-Y478 WeakPolarHBondContact O-CE2 3.36Å; D476-Y478 HydrophobicContact CB-CE2 3.88Å; D476-Y478 WeakPolarHBondContact O-CD2 3.24Å; D476-Y478 WeakPolarHBondContact O-CE2 3.49Å
479	L	93.9	Very high	94.5	Very high	78 Å²	78	47.6 Å²	47.6	41%	0.408	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	153.2	164.1	-61	177.2	0	0	0	110.1	I20 N273 D276	I20-L479 HydrophobicContact CD1-CD1 3.95Å; I20-L479 HydrophobicContact CD1-CD2 3.81Å; I20-L479 HydrophobicContact CD1-CG 3.61Å; I20-L479 HydrophobicContact CG1-CG 4.4Å; N273-L479 HydrophobicContact CB-CD2 4.31Å; D276-L479 HydrophobicContact CB-CD2 3.65Å
480	L	93	Very high	94.5	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.037	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-56.4	135.3	167.6	-173.4	71.1	0	0	0	109.9	M272 T457 A461 K482 M484	M272-L480 HydrophobicContact SD-CD1 4.26Å; T457-L480 HydrophobicContact CG2-CD2 3.58Å; A461-L480 HydrophobicContact CB-CD1 3.95Å; L480-K482 PolarHBondContact O-N 3.1Å; L480-M484 HydrophobicContact CD1-CB 4.08Å; L480-M484 HydrophobicContact CD1-SD 3.78Å; L480-M484 HydrophobicContact CD2-CB 3.85Å; L480-M484 HydrophobicContact CG-CB 3.86Å
481	P	92.5	Very high	94.9	Very high	37 Å²	37	42.6 Å²	42.6	24%	0.24	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-54.4	131.3	175.1	-26.7	35.8	0	0	0	111.5	E464 K483 M484 D485	E464-P481 HydrophobicContact CG-CG 4.29Å; P481-K483 PolarHBondContact O-N 2.9Å; P481-M484 HydrophobicContact CB-CG 4.49Å; P481-M484 HydrophobicContact CG-SD 4.36Å; P481-M484 WeakPolarHBondContact O-CA 3.24Å; P481-M484 WeakPolarHBondContact O-CB 3.38Å; P481-M484 PolarHBondContact O-N 3.07Å; P481-D485 PolarHBondContact O-N 2.98Å
482	K	93	Very high	95.2	Very high	45 Å²	45	39.7 Å²	39.7	20%	0.196	20%	0.197	C	C	.	.	H	α-helix	trans	-54	-34.8	-172.3	-167.6	-177.7	-59.3	-72.7	0	114	L480 M484 D485 E486 P518 K520 P521 S522	L480-K482 PolarHBondContact O-N 3.1Å; K482-M484 VanDerWaalsContact C-N 3.28Å; K482-M484 PolarHBondContact O-N 2.92Å; K482-D485 VanDerWaalsContact O-CB 3.28Å; K482-D485 WeakPolarHBondContact O-CB 3.43Å; K482-D485 PolarHBondContact O-N 2.84Å; K482-D485 VanDerWaalsContact O-N 3.16Å; K482-E486 WeakPolarHBondContact O-CG 3.34Å; K482-E486 PolarHBondContact O-N 2.88Å; K482-P518 HydrophobicContact CB-CB 4.29Å; K482-P518 HydrophobicContact CD-CB 4.25Å; K482-P518 HydrophobicContact CG-CB 4.45Å; K482-K520 HydrophobicContact CD-CB 4.18Å; K482-K520 WeakPolarHBondContact CD-O 3.32Å; K482-K520 WeakPolarHBondContact CE-O 3.46Å; K482-P521 VanDerWaalsContact CE-C 3.5Å; K482-P521 WeakPolarHBondContact CE-O 3.45Å; K482-P521 PolarHBondContact NZ-O 2.95Å; K482-P521 VanDerWaalsContact NZ-O 3.16Å; K482-S522 PolarHBondContact NZ-O 2.73Å
483	K	93.3	Very high	95.3	Very high	60 Å²	60	39.5 Å²	39.5	26%	0.261	20%	0.2	S	C	.	.	H	α-helix	trans	-62.3	-35.1	176.8	-167.3	-178.3	-170.1	157.9	0	112.7	V12 P481 Y487 T516	V12-K483 HydrophobicContact CG1-CD 3.58Å; V12-K483 HydrophobicContact CG2-CD 4.45Å; P481-K483 PolarHBondContact O-N 2.9Å; K483-Y487 VanDerWaalsContact O-CB 3.3Å; K483-Y487 WeakPolarHBondContact O-CB 3.4Å; K483-Y487 PolarHBondContact O-N 2.8Å; K483-T516 WeakPolarHBondContact CE-O 3.2Å
484	M	94.3	Very high	95.2	Very high	25 Å²	25	42.5 Å²	42.5	12%	0.123	22%	0.223	C	C	.	.	H	α-helix	trans	-70.2	-39.3	175.1	-66.7	-174.5	170.2	0	0	110.7	V9 L460 E464 L480 P481 K482 Y487 V488	V9-M484 HydrophobicContact CG1-CE 4.25Å; L460-M484 HydrophobicContact CB-CB 4.48Å; L460-M484 HydrophobicContact CB-SD 4.45Å; L460-M484 HydrophobicContact CD1-CB 4.06Å; L460-M484 WeakPolarHBondContact CD1-O 3.47Å; E464-M484 HydrophobicContact CB-CE 3.87Å; E464-M484 HydrophobicContact CB-SD 3.84Å; E464-M484 HydrophobicContact CG-CE 4.17Å; E464-M484 HydrophobicContact CG-SD 4.19Å; E464-M484 WeakPolarHBondContact OE2-CE 2.98Å; L480-M484 HydrophobicContact CD1-CB 4.08Å; L480-M484 HydrophobicContact CD1-SD 3.78Å; L480-M484 HydrophobicContact CD2-CB 3.85Å; L480-M484 HydrophobicContact CG-CB 3.86Å; P481-M484 HydrophobicContact CB-CG 4.49Å; P481-M484 HydrophobicContact CG-SD 4.36Å; P481-M484 WeakPolarHBondContact O-CA 3.24Å; P481-M484 WeakPolarHBondContact O-CB 3.38Å; P481-M484 PolarHBondContact O-N 3.07Å; K482-M484 VanDerWaalsContact C-N 3.28Å; K482-M484 PolarHBondContact O-N 2.92Å; M484-Y487 WeakPolarHBondContact O-CB 3.24Å; M484-Y487 PolarHBondContact O-N 2.9Å; M484-Y487 VanDerWaalsContact O-N 3.16Å; M484-V488 WeakPolarHBondContact O-CG2 3.21Å; M484-V488 PolarHBondContact O-N 2.93Å
485	D	93.5	Very high	95.1	Very high	9 Å²	9	38.4 Å²	38.4	5%	0.048	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-46.8	174.2	-141.3	-18.3	0	0	0	111.8	I278 T279 P481 K482 Y487 V488 A489	I278-D485 WeakPolarHBondContact CB-OD2 3.47Å; I278-D485 WeakPolarHBondContact CG1-OD2 3.39Å; I278-D485 PolarHBondContact N-OD2 3.31Å; T279-D485 WeakPolarHBondContact CB-OD1 3.29Å; T279-D485 WeakPolarHBondContact CG2-O 3.21Å; T279-D485 WeakPolarHBondContact CG2-OD1 3.2Å; T279-D485 PolarHBondContact N-OD1 2.74Å; T279-D485 PolarHBondContact OG1-OD1 3.32Å; P481-D485 PolarHBondContact O-N 2.98Å; K482-D485 VanDerWaalsContact O-CB 3.28Å; K482-D485 WeakPolarHBondContact O-CB 3.43Å; K482-D485 PolarHBondContact O-N 2.84Å; K482-D485 VanDerWaalsContact O-N 3.16Å; D485-Y487 VanDerWaalsContact C-N 3.29Å; D485-Y487 PolarHBondContact O-N 3.39Å; D485-V488 WeakPolarHBondContact O-CB 3.46Å; D485-V488 PolarHBondContact O-N 2.99Å; D485-A489 PolarHBondContact O-N 2.75Å
486	E	96	Very high	95	Very high	37 Å²	37	41 Å²	41	17%	0.173	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-36.1	173.3	-70.5	172	177	0	0	112.4	K482 A489 T490 P518 F519	K482-E486 WeakPolarHBondContact O-CG 3.34Å; K482-E486 PolarHBondContact O-N 2.88Å; E486-A489 PolarHBondContact O-N 3.41Å; E486-T490 PolarHBondContact O-N 2.83Å; E486-T490 PolarHBondContact O-OG1 2.67Å; E486-P518 WeakPolarHBondContact OE2-CA 3.34Å; E486-F519 PolarHBondContact OE1-N 3.48Å; E486-F519 WeakPolarHBondContact OE2-CD2 3.36Å
487	Y	95.7	Very high	94.9	Very high	45 Å²	45	46.4 Å²	46.4	18%	0.176	24%	0.244	C	C	.	.	H	α-helix	trans	-67.7	-40.6	176.4	175.3	-115.9	0	0	0	111.5	L129 R132 L460 K483 M484 D485 A489 T490 L491	L129-Y487 HydrophobicContact CD2-CE1 4.33Å; R132-Y487 VanDerWaalsContact CD-OH 3.31Å; R132-Y487 WeakPolarHBondContact CD-OH 3.35Å; R132-Y487 PolarHBondContact NE-OH 3.44Å; R132-Y487 VanDerWaalsContact NE-OH 3.08Å; R132-Y487 PolarHBondContact NH1-OH 3.18Å; R132-Y487 PolarHBondContact NH2-OH 3.42Å; L460-Y487 HydrophobicContact CD1-CD1 3.64Å; L460-Y487 HydrophobicContact CD1-CE1 4.24Å; L460-Y487 HydrophobicContact CD2-CD1 4.24Å; L460-Y487 HydrophobicContact CD2-CE1 4.11Å; K483-Y487 VanDerWaalsContact O-CB 3.3Å; K483-Y487 WeakPolarHBondContact O-CB 3.4Å; K483-Y487 PolarHBondContact O-N 2.8Å; M484-Y487 WeakPolarHBondContact O-CB 3.24Å; M484-Y487 PolarHBondContact O-N 2.9Å; M484-Y487 VanDerWaalsContact O-N 3.16Å; D485-Y487 VanDerWaalsContact C-N 3.29Å; D485-Y487 PolarHBondContact O-N 3.39Å; Y487-A489 VanDerWaalsContact C-N 3.32Å; Y487-A489 PolarHBondContact O-N 3.28Å; Y487-T490 WeakPolarHBondContact O-CB 3.28Å; Y487-T490 PolarHBondContact O-N 3.23Å; Y487-T490 VanDerWaalsContact O-N 3.15Å; Y487-L491 HydrophobicContact CE1-CD1 4.06Å; Y487-L491 HydrophobicContact CE1-CD2 4.46Å; Y487-L491 HydrophobicContact CE1-CG 4.42Å; Y487-L491 HydrophobicContact CE2-CD2 3.85Å; Y487-L491 HydrophobicContact CE2-CG 4.28Å; Y487-L491 WeakPolarHBondContact O-CG 3.33Å; Y487-L491 PolarHBondContact O-N 3.47Å; Y487-L491 VanDerWaalsContact O-N 3.12Å
488	V	96.7	Very high	94.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-54.4	-49.5	170.8	173	0	0	0	0	110.6	T279 V453 L460 M484 D485 T490 L491 H492	T279-V488 HydrophobicContact CG2-CB 4.05Å; T279-V488 HydrophobicContact CG2-CG1 3.97Å; V453-V488 HydrophobicContact CG1-CG1 3.97Å; L460-V488 HydrophobicContact CD1-CG2 3.42Å; L460-V488 VanDerWaalsContact CD1-CG2 3.42Å; L460-V488 HydrophobicContact CG-CG2 4.32Å; M484-V488 WeakPolarHBondContact O-CG2 3.21Å; M484-V488 PolarHBondContact O-N 2.93Å; D485-V488 WeakPolarHBondContact O-CB 3.46Å; D485-V488 PolarHBondContact O-N 2.99Å; V488-T490 VanDerWaalsContact C-N 3.28Å; V488-T490 PolarHBondContact O-N 3.41Å; V488-L491 WeakPolarHBondContact O-CB 3.47Å; V488-L491 PolarHBondContact O-N 2.57Å; V488-L491 VanDerWaalsContact O-N 3.08Å; V488-H492 PolarHBondContact O-ND1 2.64Å
489	A	96.4	Very high	94.6	Very high	39 Å²	39	58.8 Å²	58.8	32%	0.322	30%	0.301	S	S	.	.	H	α-helix	trans	-57.1	-44.2	178.9	0	0	0	0	0	111.4	T279 D485 E486 Y487 L491 H492 L493	T279-A489 HydrophobicContact CG2-CB 4.28Å; D485-A489 PolarHBondContact O-N 2.75Å; E486-A489 PolarHBondContact O-N 3.41Å; Y487-A489 VanDerWaalsContact C-N 3.32Å; Y487-A489 PolarHBondContact O-N 3.28Å; A489-L491 PolarHBondContact O-N 3.14Å; A489-H492 PolarHBondContact O-N 2.86Å; A489-H492 VanDerWaalsContact O-N 3.09Å; A489-L493 PolarHBondContact O-N 3.34Å
490	T	95.8	Very high	94.6	Very high	64 Å²	64	60 Å²	60	39%	0.393	31%	0.307	S	S	.	.	H	α-helix	trans	-59.1	-33.9	178.4	-57.9	0	0	0	0	112.9	E486 Y487 V488 H492 I500	E486-T490 PolarHBondContact O-N 2.83Å; E486-T490 PolarHBondContact O-OG1 2.67Å; Y487-T490 WeakPolarHBondContact O-CB 3.28Å; Y487-T490 PolarHBondContact O-N 3.23Å; Y487-T490 VanDerWaalsContact O-N 3.15Å; V488-T490 VanDerWaalsContact C-N 3.28Å; V488-T490 PolarHBondContact O-N 3.41Å; T490-H492 PolarHBondContact O-N 2.81Å; T490-I500 HydrophobicContact CG2-CD1 4.3Å
491	L	96.4	Very high	94.8	Very high	10 Å²	10	65.7 Å²	65.7	5%	0.052	34%	0.343	C	S	.	.	H	α-helix	trans	-66.2	-22.3	179	-64.3	178.3	0	0	0	113.6	A128 L129 Y487 V488 A489	A128-L491 HydrophobicContact CB-CD2 3.85Å; L129-L491 HydrophobicContact CD1-CD1 4.39Å; L129-L491 HydrophobicContact CD2-CD1 3.99Å; L129-L491 HydrophobicContact CG-CD1 3.96Å; Y487-L491 HydrophobicContact CE1-CD1 4.06Å; Y487-L491 HydrophobicContact CE1-CD2 4.46Å; Y487-L491 HydrophobicContact CE1-CG 4.42Å; Y487-L491 HydrophobicContact CE2-CD2 3.85Å; Y487-L491 HydrophobicContact CE2-CG 4.28Å; Y487-L491 WeakPolarHBondContact O-CG 3.33Å; Y487-L491 PolarHBondContact O-N 3.47Å; Y487-L491 VanDerWaalsContact O-N 3.12Å; V488-L491 WeakPolarHBondContact O-CB 3.47Å; V488-L491 PolarHBondContact O-N 2.57Å; V488-L491 VanDerWaalsContact O-N 3.08Å; A489-L491 PolarHBondContact O-N 3.14Å
492	H	97	Very high	94.9	Very high	9 Å²	9	71.8 Å²	71.8	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-100.1	-21.3	-174.3	-64.2	79.4	0	0	0	113.2	S452 V453 S456 V488 A489 T490 P494 L495	S452-H492 VanDerWaalsContact C-NE2 3.27Å; S452-H492 WeakPolarHBondContact CB-NE2 3.39Å; S452-H492 PolarHBondContact O-NE2 3.49Å; S452-H492 PolarHBondContact OG-CD2 3.03Å; S452-H492 PolarHBondContact OG-NE2 3.4Å; V453-H492 HydrophobicContact CG2-CB 4.48Å; V453-H492 VanDerWaalsContact CG2-CD2 3.48Å; V453-H492 WeakPolarHBondContact CG2-CD2 3.31Å; V453-H492 PolarHBondContact N-NE2 2.82Å; S456-H492 PolarHBondContact OG-CE1 3.44Å; V488-H492 PolarHBondContact O-ND1 2.64Å; A489-H492 PolarHBondContact O-N 2.86Å; A489-H492 VanDerWaalsContact O-N 3.09Å; T490-H492 PolarHBondContact O-N 2.81Å; H492-P494 VanDerWaalsContact C-N 3.34Å; H492-L495 WeakPolarHBondContact O-CB 3.42Å; H492-L495 PolarHBondContact O-N 3.31Å
493	L	95.8	Very high	95.1	Very high	55 Å²	55	71.4 Å²	71.4	29%	0.288	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-55.2	-36.6	-179.8	-65.6	178.4	0	0	0	115.4	A489 L495 F496 N497 G498 I500	A489-L493 PolarHBondContact O-N 3.34Å; L493-L495 PolarHBondContact O-N 2.96Å; L493-F496 PolarHBondContact O-N 2.91Å; L493-N497 PolarHBondContact O-N 2.8Å; L493-G498 PolarHBondContact O-N 3.11Å; L493-I500 HydrophobicContact CD1-CD1 3.19Å; L493-I500 HydrophobicContact CD1-CG1 3.31Å
494	P	93.7	Very high	95.3	Very high	89 Å²	89	71.9 Å²	71.9	58%	0.578	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-56.8	-31.8	178.9	-28.3	37.1	0	0	0	113.9	H492 F496 N497	H492-P494 VanDerWaalsContact C-N 3.34Å; P494-F496 PolarHBondContact O-N 2.82Å; P494-N497 PolarHBondContact O-N 3.37Å; P494-N497 VanDerWaalsContact O-N 3.13Å
495	L	93.2	Very high	95.5	Very high	72 Å²	72	75.6 Å²	75.6	38%	0.377	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-62	-32.8	177.8	-170.2	73.5	0	0	0	111.9	P124 I449 H492 L493 N497	P124-L495 HydrophobicContact CG-CB 4.32Å; P124-L495 HydrophobicContact CG-CD2 4.39Å; I449-L495 HydrophobicContact CD1-CD2 3.2Å; I449-L495 HydrophobicContact CD1-CG 4.46Å; H492-L495 WeakPolarHBondContact O-CB 3.42Å; H492-L495 PolarHBondContact O-N 3.31Å; L493-L495 PolarHBondContact O-N 2.96Å; L495-N497 VanDerWaalsContact C-N 3.34Å
496	F	94	Very high	95.7	Very high	139 Å²	139	82.3 Å²	82.3	61%	0.61	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-93.7	12.5	179.9	-56.6	-74.2	0	0	0	113.2	I449 L493 P494 G498	I449-F496 HydrophobicContact CD1-CE2 3.66Å; I449-F496 HydrophobicContact CD1-CZ 3.54Å; I449-F496 HydrophobicContact CG1-CZ 4.49Å; L493-F496 PolarHBondContact O-N 2.91Å; P494-F496 PolarHBondContact O-N 2.82Å; F496-G498 PolarHBondContact O-N 3.39Å; F496-G498 VanDerWaalsContact O-N 3.11Å
497	N	95.3	Very high	95.8	Very high	141 Å²	141	84.8 Å²	84.8	75%	0.754	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	27.2	-167.5	-63.3	-51.7	0	0	0	113.1	L493 P494 L495	L493-N497 PolarHBondContact O-N 2.8Å; P494-N497 PolarHBondContact O-N 3.37Å; P494-N497 VanDerWaalsContact O-N 3.13Å; L495-N497 VanDerWaalsContact C-N 3.34Å
498	G	94.3	Very high	95.9	Very high	34 Å²	34	83.1 Å²	83.1	35%	0.351	44%	0.435	S	S	.	.			trans	-68.2	131.7	-177.9	0	0	0	0	0	111.7	L493 F496	L493-G498 PolarHBondContact O-N 3.11Å; F496-G498 PolarHBondContact O-N 3.39Å; F496-G498 VanDerWaalsContact O-N 3.11Å
499	R	93	Very high	95.9	Very high	239 Å²	239	92.3 Å²	92.3	90%	0.902	47%	0.469	S	S	*	.			trans	-124.1	115.2	176.2	-61.2	-177.8	-173.5	176.4	1.9	109.1
500	I	94	Very high	95.9	Very high	104 Å²	104	100.2 Å²	100.2	53%	0.533	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-82.2	137.1	-179.5	-58.7	164.6	0	0	0	109.7	T490 L493	T490-I500 HydrophobicContact CG2-CD1 4.3Å; L493-I500 HydrophobicContact CD1-CD1 3.19Å; L493-I500 HydrophobicContact CD1-CG1 3.31Å
501	T	96.4	Very high	96	Very high	127 Å²	127	102.1 Å²	102.1	78%	0.779	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-71.1	131.5	168.6	-57.4	0	0	0	0	110.9
502	E	96	Very high	96	Very high	165 Å²	165	105 Å²	105	77%	0.771	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-89.8	136.3	174	-62.5	-176.6	179.6	0	0	110.9
503	L	96.7	Very high	95.9	Very high	36 Å²	36	106.5 Å²	106.5	19%	0.188	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-68.4	137.1	174.9	-68.8	172.2	0	0	0	110.9	Q507 A508 L511 V513 K515 F519	L503-Q507 HydrophobicContact CD2-CB 3.9Å; L503-Q507 HydrophobicContact CB-CB 4.42Å; L503-A508 HydrophobicContact CB-CB 4.41Å; L503-A508 HydrophobicContact CD1-CB 4.47Å; L503-L511 HydrophobicContact CD2-CD1 4.25Å; L503-V513 HydrophobicContact CD1-CG2 4.01Å; L503-K515 HydrophobicContact CB-CG 4.41Å; L503-K515 VanDerWaalsContact O-CE 3.24Å; L503-K515 WeakPolarHBondContact O-CE 3.2Å; L503-F519 HydrophobicContact CD1-CE1 4.17Å; L503-F519 HydrophobicContact CD1-CD1 4.31Å
504	T	97.4	Very high	95.8	Very high	70 Å²	70	108.4 Å²	108.4	43%	0.429	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-69.3	163.3	164.8	72.8	0	0	0	0	110.7	E506 Q507 A508	T504-E506 PolarHBondContact O-N 2.83Å; T504-Q507 PolarHBondContact O-N 2.93Å; T504-Q507 WeakPolarHBondContact OG1-CG 3.36Å; T504-Q507 PolarHBondContact OG1-N 3.47Å; T504-A508 PolarHBondContact O-N 2.85Å
505	D	97.6	Very high	95.8	Very high	104 Å²	104	107.8 Å²	107.8	56%	0.556	54%	0.54	S	S	*	.	H	α-helix	trans	-60	-35.9	176.2	-69.6	-64.4	0	0	0	112.1	R509 K515	D505-R509 WeakPolarHBondContact O-CB 3.32Å; D505-R509 PolarHBondContact O-N 2.9Å; D505-K515 IonicContact OD1-NZ 2.82Å; D505-K515 PolarHBondContact OD2-NZ 3.15Å; D505-K515 IonicContact OD2-NZ 2.99Å; D505-K515 PolarHBondContact OD1-NZ 3.36Å; D505-K515 WeakPolarHBondContact OD1-CE 3.48Å
506	E	98	Very high	95.8	Very high	149 Å²	149	108.4 Å²	108.4	70%	0.696	55%	0.546	S	S	*	.	H	α-helix	trans	-66.1	-46.6	177.6	-172.5	177.9	-178.1	0	0	111.7	T504 R509 Y510	T504-E506 PolarHBondContact O-N 2.83Å; E506-R509 PolarHBondContact O-N 2.93Å; E506-Y510 WeakPolarHBondContact O-CB 3.15Å; E506-Y510 PolarHBondContact O-N 3.09Å
507	Q	98.3	Very high	95.8	Very high	90 Å²	90	101.9 Å²	101.9	42%	0.421	52%	0.518	S	S	.	.	H	α-helix	trans	-63.7	-43.1	178	-71	170.3	-26.9	0	0	112.2	L503 T504 Y510 L511	L503-Q507 HydrophobicContact CD2-CB 3.9Å; L503-Q507 HydrophobicContact CB-CB 4.42Å; T504-Q507 PolarHBondContact O-N 2.93Å; T504-Q507 WeakPolarHBondContact OG1-CG 3.36Å; T504-Q507 PolarHBondContact OG1-N 3.47Å; Q507-Y510 PolarHBondContact O-N 2.9Å; Q507-L511 WeakPolarHBondContact O-CB 3.18Å; Q507-L511 WeakPolarHBondContact O-CG 3.48Å; Q507-L511 PolarHBondContact O-N 3.25Å
508	A	97.5	Very high	95.8	Very high	10 Å²	10	97.4 Å²	97.4	8%	0.083	50%	0.497	C	S	.	.	H	α-helix	trans	-62.3	-43.5	177.8	0	0	0	0	0	111.6	L503 T504 L511 G512 V513 K515	L503-A508 HydrophobicContact CB-CB 4.41Å; L503-A508 HydrophobicContact CD1-CB 4.47Å; T504-A508 PolarHBondContact O-N 2.85Å; A508-L511 PolarHBondContact O-N 3.01Å; A508-G512 PolarHBondContact O-N 3.07Å; A508-V513 PolarHBondContact O-N 2.96Å; A508-V513 VanDerWaalsContact O-N 3.14Å; A508-K515 HydrophobicContact CB-CG 3.67Å
509	R	96.9	Very high	95.8	Very high	193 Å²	193	99.8 Å²	99.8	73%	0.728	50%	0.498	S	S	*	.	H	α-helix	trans	-64.2	-43	175.2	-168.9	-173.2	-57.5	133.2	3.9	112	D505 E506 G512	D505-R509 WeakPolarHBondContact O-CB 3.32Å; D505-R509 PolarHBondContact O-N 2.9Å; E506-R509 PolarHBondContact O-N 2.93Å; R509-G512 PolarHBondContact O-N 3.15Å
510	Y	97.5	Very high	96	Very high	205 Å²	205	92.5 Å²	92.5	80%	0.804	47%	0.473	S	S	*	.	H	α-helix	trans	-60.9	-43.6	178.5	177.5	-96.9	0	0	0	112.2	E506 Q507 G512	E506-Y510 WeakPolarHBondContact O-CB 3.15Å; E506-Y510 PolarHBondContact O-N 3.09Å; Q507-Y510 PolarHBondContact O-N 2.9Å; Y510-G512 VanDerWaalsContact C-N 3.32Å
511	L	96.7	Very high	95.9	Very high	103 Å²	103	91.2 Å²	91.2	54%	0.539	47%	0.472	S	S	.	.	H	α-helix	trans	-77.7	-15.4	178.5	-69.1	175.2	0	0	0	113.7	L503 Q507 A508 V513	L503-L511 HydrophobicContact CD2-CD1 4.25Å; Q507-L511 WeakPolarHBondContact O-CB 3.18Å; Q507-L511 WeakPolarHBondContact O-CG 3.48Å; Q507-L511 PolarHBondContact O-N 3.25Å; A508-L511 PolarHBondContact O-N 3.01Å; L511-V513 HydrophobicContact CB-CG2 3.86Å; L511-V513 HydrophobicContact CD1-CG2 4.38Å; L511-V513 VanDerWaalsContact C-N 3.32Å; L511-V513 HydrophobicContact CB-CG1 4.43Å
512	G	95.7	Very high	95.5	Very high	70 Å²	70	90.3 Å²	90.3	72%	0.722	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	30.3	-174.4	0	0	0	0	0	113.4	A508 R509 Y510	A508-G512 PolarHBondContact O-N 3.07Å; R509-G512 PolarHBondContact O-N 3.15Å; Y510-G512 VanDerWaalsContact C-N 3.32Å
513	V	95	Very high	95.2	Very high	42 Å²	42	88.6 Å²	88.6	26%	0.255	47%	0.467	S	S	.	.	S	Bend	trans	-122.6	157.8	-179.6	-57.5	0	0	0	0	111.2	L503 A508 L511	L503-V513 HydrophobicContact CD1-CG2 4.01Å; A508-V513 PolarHBondContact O-N 2.96Å; A508-V513 VanDerWaalsContact O-N 3.14Å; L511-V513 HydrophobicContact CB-CG2 3.86Å; L511-V513 HydrophobicContact CD1-CG2 4.38Å; L511-V513 VanDerWaalsContact C-N 3.32Å; L511-V513 HydrophobicContact CB-CG1 4.43Å
514	N	94.4	Very high	95.1	Very high	95 Å²	95	91.5 Å²	91.5	51%	0.508	48%	0.476	S	S	.	.			trans	-72	143.6	171.3	-169	-63.3	0	0	0	110.1	T516 G517	N514-T516 PolarHBondContact O-N 2.81Å; N514-T516 PolarHBondContact OD1-N 3.08Å; N514-T516 PolarHBondContact OD1-OG1 3.46Å; N514-G517 WeakPolarHBondContact CB-O 3.48Å; N514-G517 PolarHBondContact O-N 2.79Å
515	K	94.6	Very high	94.8	Very high	75 Å²	75	96.8 Å²	96.8	33%	0.326	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-27.4	174.4	-77.5	-173.1	166.6	-179.4	0	114.3	L503 D505 A508 F519	L503-K515 HydrophobicContact CB-CG 4.41Å; L503-K515 VanDerWaalsContact O-CE 3.24Å; L503-K515 WeakPolarHBondContact O-CE 3.2Å; D505-K515 IonicContact OD1-NZ 2.82Å; D505-K515 PolarHBondContact OD2-NZ 3.15Å; D505-K515 IonicContact OD2-NZ 2.99Å; D505-K515 PolarHBondContact OD1-NZ 3.36Å; D505-K515 WeakPolarHBondContact OD1-CE 3.48Å; A508-K515 HydrophobicContact CB-CG 3.67Å; K515-F519 WeakPolarHBondContact O-CE1 3.48Å
516	T	93.1	Very high	94.1	Very high	85 Å²	85	96.2 Å²	96.2	52%	0.521	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	14.9	-178.1	64	0	0	0	0	113.2	K483 N514	K483-T516 WeakPolarHBondContact CE-O 3.2Å; N514-T516 PolarHBondContact O-N 2.81Å; N514-T516 PolarHBondContact OD1-N 3.08Å; N514-T516 PolarHBondContact OD1-OG1 3.46Å
517	G	92.7	Very high	93.9	Very high	2 Å²	2	93.6 Å²	93.6	2%	0.021	47%	0.472	C	S	.	.	S	Bend	trans	79	179.9	179.1	0	0	0	0	0	115.1	N514	N514-G517 WeakPolarHBondContact CB-O 3.48Å; N514-G517 PolarHBondContact O-N 2.79Å
518	P	95.1	Very high	93.7	Very high	48 Å²	48	93.7 Å²	93.7	31%	0.312	48%	0.475	S	S	.	.			cis	-64.6	139.7	4.6	27.2	-34.7	0	0	0	112.8	K482 E486	K482-P518 HydrophobicContact CB-CB 4.29Å; K482-P518 HydrophobicContact CD-CB 4.25Å; K482-P518 HydrophobicContact CG-CB 4.45Å; E486-P518 WeakPolarHBondContact OE2-CA 3.34Å
519	F	95.8	Very high	93.5	Very high	83 Å²	83	98.4 Å²	98.4	36%	0.364	50%	0.497	S	S	.	.			trans	-88.1	-7.5	-172.7	-61.9	-70.3	0	0	0	113.7	E486 L503 K515	E486-F519 PolarHBondContact OE1-N 3.48Å; E486-F519 WeakPolarHBondContact OE2-CD2 3.36Å; L503-F519 HydrophobicContact CD1-CE1 4.17Å; L503-F519 HydrophobicContact CD1-CD1 4.31Å; K515-F519 WeakPolarHBondContact O-CE1 3.48Å
520	K	95.6	Very high	93.3	Very high	87 Å²	87	92.8 Å²	92.8	38%	0.378	48%	0.483	S	S	.	.	S	Bend	trans	-141.5	147.4	-173.4	-63	-68.8	-176.2	-65.5	0	110.8	K482 Y524	K482-K520 HydrophobicContact CD-CB 4.18Å; K482-K520 WeakPolarHBondContact CD-O 3.32Å; K482-K520 WeakPolarHBondContact CE-O 3.46Å; K520-Y524 HydrophobicContact CD-CD1 3.54Å; K520-Y524 HydrophobicContact CG-CG 3.96Å; K520-Y524 HydrophobicContact CG-CE1 3.31Å; K520-Y524 HydrophobicContact CG-CD1 3.28Å; K520-Y524 VanDerWaalsContact CE-CZ 3.42Å; K520-Y524 VanDerWaalsContact CE-CE1 3.45Å; K520-Y524 HydrophobicContact CD-CG 3.87Å; K520-Y524 HydrophobicContact CD-CE2 3.89Å; K520-Y524 HydrophobicContact CD-CE1 3.29Å; K520-Y524 HydrophobicContact CD-CD2 4.01Å; K520-Y524 HydrophobicContact CB-CG 3.72Å; K520-Y524 HydrophobicContact CB-CE1 3.98Å; K520-Y524 HydrophobicContact CB-CD1 3.37Å
521	P	92.6	Very high	93	Very high	77 Å²	77	85.8 Å²	85.8	50%	0.5	46%	0.463	S	S	.	.			trans	-66.3	160.4	176.3	29.7	-35.5	0	0	0	111.3	K482 N523 Y524	K482-P521 VanDerWaalsContact CE-C 3.5Å; K482-P521 WeakPolarHBondContact CE-O 3.45Å; K482-P521 PolarHBondContact NZ-O 2.95Å; K482-P521 VanDerWaalsContact NZ-O 3.16Å; P521-N523 VanDerWaalsContact C-N 3.25Å; P521-N523 PolarHBondContact O-N 2.95Å; P521-N523 WeakPolarHBondContact CB-OD1 3.27Å; P521-N523 WeakPolarHBondContact CG-OD1 3.38Å; P521-Y524 WeakPolarHBondContact O-CB 3.1Å; P521-Y524 PolarHBondContact O-N 2.89Å
522	S	88.7	Confident	92.7	Very high	108 Å²	108	84.7 Å²	84.7	76%	0.755	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-39.1	-175.8	52.2	0	0	0	0	113.1	K482 Y524	K482-S522 PolarHBondContact NZ-O 2.73Å; S522-Y524 VanDerWaalsContact C-N 3.3Å; S522-Y524 PolarHBondContact O-N 3.3Å
523	N	90.1	Very high	92.5	Very high	129 Å²	129	85.7 Å²	85.7	69%	0.69	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	1	-179.4	68.7	-20	0	0	0	115.4	P521 K525	P521-N523 VanDerWaalsContact C-N 3.25Å; P521-N523 PolarHBondContact O-N 2.95Å; P521-N523 WeakPolarHBondContact CB-OD1 3.27Å; P521-N523 WeakPolarHBondContact CG-OD1 3.38Å; N523-K525 PolarHBondContact O-N 3.1Å
524	Y	94.1	Very high	92.3	Very high	97 Å²	97	89.1 Å²	89.1	38%	0.38	45%	0.454	S	S	.	.			trans	-68.4	127.5	177	-173.9	-114.5	0	0	0	110.6	K520 P521 S522 Y526	K520-Y524 HydrophobicContact CD-CD1 3.54Å; K520-Y524 HydrophobicContact CG-CG 3.96Å; K520-Y524 HydrophobicContact CG-CE1 3.31Å; K520-Y524 HydrophobicContact CG-CD1 3.28Å; K520-Y524 VanDerWaalsContact CE-CZ 3.42Å; K520-Y524 VanDerWaalsContact CE-CE1 3.45Å; K520-Y524 HydrophobicContact CD-CG 3.87Å; K520-Y524 HydrophobicContact CD-CE2 3.89Å; K520-Y524 HydrophobicContact CD-CE1 3.29Å; K520-Y524 HydrophobicContact CD-CD2 4.01Å; K520-Y524 HydrophobicContact CB-CG 3.72Å; K520-Y524 HydrophobicContact CB-CE1 3.98Å; K520-Y524 HydrophobicContact CB-CD1 3.37Å; P521-Y524 WeakPolarHBondContact O-CB 3.1Å; P521-Y524 PolarHBondContact O-N 2.89Å; S522-Y524 VanDerWaalsContact C-N 3.3Å; S522-Y524 PolarHBondContact O-N 3.3Å; Y524-Y526 VanDerWaalsContact OH-OXT 3.05Å; Y524-Y526 PolarHBondContact OH-OXT 3.5Å; Y524-Y526 PolarHBondContact OH-O 3.07Å; Y524-Y526 PolarHBondContact O-N 3.04Å; Y524-Y526 WeakPolarHBondContact CE2-OXT 3.17Å; Y524-Y526 VanDerWaalsContact CE2-OXT 3.27Å; Y524-Y526 WeakPolarHBondContact CE1-OXT 3.48Å; Y524-Y526 WeakPolarHBondContact CE1-O 3.27Å; Y524-Y526 WeakPolarHBondContact CD1-OXT 3.18Å; Y524-Y526 VanDerWaalsContact CD1-OXT 3.28Å; Y524-Y526 VanDerWaalsContact CD1-C 3.43Å; Y524-Y526 VanDerWaalsContact C-N 3.29Å
525	K	90	Very high	92.2	Very high	180 Å²	180	88.6 Å²	88.6	78%	0.783	45%	0.449	S	S	*	.			trans	-90.6	55.6	-175.1	-59.2	-179.2	-179.6	-179.8	0	110.6	N523	N523-K525 PolarHBondContact O-N 3.1Å
526	Y	83.7	Confident	92	Very high	92 Å²	92	89.8 Å²	89.8	36%	0.361	46%	0.46	S	S	.	.			trans	63.3	0	-165.9	-45.1	-97.5	0	0	0	112.7	I278 S281 K282 Y524	I278-Y526 VanDerWaalsContact CA-OH 3.28Å; I278-Y526 WeakPolarHBondContact CA-OH 3.17Å; I278-Y526 HydrophobicContact CB-CD1 3.82Å; I278-Y526 HydrophobicContact CB-CE1 3.25Å; I278-Y526 HydrophobicContact CD1-CD1 3.66Å; I278-Y526 HydrophobicContact CD1-CD2 4.07Å; I278-Y526 HydrophobicContact CD1-CE1 3.2Å; I278-Y526 HydrophobicContact CD1-CE2 3.6Å; I278-Y526 HydrophobicContact CD1-CG 4.04Å; I278-Y526 WeakPolarHBondContact CD1-OH 3.44Å; I278-Y526 HydrophobicContact CG1-CD1 4.12Å; I278-Y526 HydrophobicContact CG1-CE1 3.69Å; I278-Y526 HydrophobicContact CG2-CD1 3.07Å; I278-Y526 HydrophobicContact CG2-CE1 3.01Å; I278-Y526 HydrophobicContact CG2-CG 4.27Å; I278-Y526 VanDerWaalsContact O-CE1 3.31Å; I278-Y526 WeakPolarHBondContact O-CE1 3.43Å; S281-Y526 PolarHBondContact OG-OH 3.24Å; K282-Y526 HydrophobicContact CB-CD1 4.26Å; K282-Y526 HydrophobicContact CB-CE1 3.81Å; K282-Y526 HydrophobicContact CD-CD1 4.39Å; K282-Y526 HydrophobicContact CD-CD2 4.16Å; K282-Y526 HydrophobicContact CD-CE1 4.18Å; K282-Y526 HydrophobicContact CD-CE2 4.09Å; K282-Y526 HydrophobicContact CD-CG 4.41Å; K282-Y526 HydrophobicContact CG-CD1 3.39Å; K282-Y526 HydrophobicContact CG-CD2 3.9Å; K282-Y526 HydrophobicContact CG-CE1 3Å; K282-Y526 HydrophobicContact CG-CE2 3.7Å; K282-Y526 HydrophobicContact CG-CG 3.85Å; Y524-Y526 VanDerWaalsContact OH-OXT 3.05Å; Y524-Y526 PolarHBondContact OH-OXT 3.5Å; Y524-Y526 PolarHBondContact OH-O 3.07Å; Y524-Y526 PolarHBondContact O-N 3.04Å; Y524-Y526 WeakPolarHBondContact CE2-OXT 3.17Å; Y524-Y526 VanDerWaalsContact CE2-OXT 3.27Å; Y524-Y526 WeakPolarHBondContact CE1-OXT 3.48Å; Y524-Y526 WeakPolarHBondContact CE1-O 3.27Å; Y524-Y526 WeakPolarHBondContact CD1-OXT 3.18Å; Y524-Y526 VanDerWaalsContact CD1-OXT 3.28Å; Y524-Y526 VanDerWaalsContact CD1-C 3.43Å; Y524-Y526 VanDerWaalsContact C-N 3.29Å

Retrieved 526 of 526 residues in 185.5 ms (Link to these results)

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