A0A060XUK2_ONCMY Loading...

Fibrinogen gamma chain

AlphaFold DB , UniProt , Accession A0A060XUK2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110534419, Length 432 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	31.5	Very low	36.7	Very low	246 Å²	246	127.7 Å²	127.7	100%	1.212	83%	0.831	S	S	*	*				0	136.3	0	-102.6	-173.8	-92.2	0	0	107.9
2	A	28	Very low	36.8	Very low	103 Å²	103	126.1 Å²	126.1	85%	0.851	82%	0.816	S	S	*	*			trans	75.8	137.6	175.9	0	0	0	0	0	118.6
3	P	45.8	Very low	36.6	Very low	122 Å²	122	126.2 Å²	126.2	79%	0.792	81%	0.805	S	S	*	*			trans	-112.4	177.4	-170	31.1	-9.3	0	0	0	112.4
4	S	30.4	Very low	36.6	Very low	105 Å²	105	127.7 Å²	127.7	73%	0.734	80%	0.802	S	S	*	*			trans	147.6	105.9	150.2	53.7	0	0	0	0	108.7
5	L	45.7	Very low	36.5	Very low	162 Å²	162	130.5 Å²	130.5	85%	0.848	81%	0.808	S	S	*	*				60.7	93.1	98.1	-72.2	160	0	0	0	111.6
6	L	36.6	Very low	36.6	Very low	178 Å²	178	133.5 Å²	133.5	93%	0.932	81%	0.806	S	S	*	*			trans	173.8	-5.2	135.9	-95.4	151.3	0	0	0	117.2
7	S	34.8	Very low	36.6	Very low	115 Å²	115	129.8 Å²	129.8	80%	0.804	79%	0.788	S	S	*	*	S	Bend	trans	-119.9	11.9	-169.1	98.6	0	0	0	0	118.8
8	T	37.2	Very low	36.6	Very low	131 Å²	131	131.6 Å²	131.6	80%	0.804	79%	0.791	S	S	*	*	S	Bend	trans	-122.9	16.5	178.5	51.8	0	0	0	0	114.2
9	A	38.4	Very low	36.5	Very low	78 Å²	78	130.5 Å²	130.5	65%	0.645	79%	0.79	S	S	*	*	S	Bend	trans	-100.1	3.3	-180	0	0	0	0	0	114.8
10	A	36.8	Very low	36.4	Very low	90 Å²	90	129 Å²	129	74%	0.744	79%	0.786	S	S	*	*	S	Bend	trans	-113.7	-11.4	-173.8	0	0	0	0	0	115.4
11	G	38.2	Very low	36.4	Very low	75 Å²	75	127 Å²	127	77%	0.773	78%	0.783	S	S	*	*	S	Bend	trans	-104	-6.9	-175	0	0	0	0	0	116
12	V	38.9	Very low	36.5	Very low	108 Å²	108	122 Å²	122	66%	0.655	76%	0.757	S	S	*	*	S	Bend	trans	-113.7	2.6	-174.5	178.6	0	0	0	0	112
13	L	33.8	Very low	36.9	Very low	128 Å²	128	123.5 Å²	123.5	67%	0.67	76%	0.756	S	S	*	*	S	Bend	trans	-106.2	6.9	-174.9	-92.9	157.3	0	0	0	115.3
14	L	35.9	Very low	36.4	Very low	147 Å²	147	126.5 Å²	126.5	77%	0.77	75%	0.751	S	S	*	*	S	Bend	trans	-118.2	5.4	-179.7	-93.9	159.7	0	0	0	115.7
15	L	35.7	Very low	36.7	Very low	169 Å²	169	124.6 Å²	124.6	89%	0.885	75%	0.748	S	S	*	*	S	Bend	trans	-124.3	13.4	167.4	-75.1	170.4	0	0	0	113.1
16	F	38.3	Very low	36	Very low	179 Å²	179	122.2 Å²	122.2	79%	0.785	74%	0.736	S	S	*	*	S	Bend	trans	-113.4	19.6	175	-97.6	-71.3	0	0	0	113.8
17	S	35.8	Very low	36.6	Very low	70 Å²	70	124.2 Å²	124.2	49%	0.49	73%	0.733	S	S	.	*	S	Bend	trans	-131.2	24.3	-173.7	57.3	0	0	0	0	115.7
18	L	37.1	Very low	37	Very low	163 Å²	163	123.1 Å²	123.1	85%	0.853	73%	0.725	S	S	*	*	S	Bend	trans	-139	52.1	158.8	-74.8	173.1	0	0	0	110.2
19	S	35.4	Very low	37.6	Very low	110 Å²	110	124.8 Å²	124.8	77%	0.769	72%	0.724	S	S	*	*			trans	-137	32.9	158.9	-42.3	0	0	0	0	110.2
20	S	33.8	Very low	38.5	Very low	100 Å²	100	127 Å²	127	70%	0.699	72%	0.724	S	S	*	*			trans	-96.3	33.4	152.2	47.6	0	0	0	0	110	Q22	S20-Q22 PolarHBondContact O-N 2.77Å
21	A	35.7	Very low	39.5	Very low	88 Å²	88	126.1 Å²	126.1	73%	0.727	71%	0.713	S	S	*	*			trans	-69	71.3	134.9	0	0	0	0	0	106.1	T23	A21-T23 VanDerWaalsContact C-N 3.33Å; A21-T23 PolarHBondContact O-N 3.33Å
22	Q	33.9	Very low	40.3	Very low	141 Å²	141	126.1 Å²	126.1	66%	0.659	70%	0.697	S	S	*	*			trans	-48.3	114.5	155.4	-162.1	157.8	10.2	0	0	102.7	S20 R24	S20-Q22 PolarHBondContact O-N 2.77Å; Q22-R24 HydrophobicContact CG-CB 4.35Å; Q22-R24 HydrophobicContact CG-CG 4.49Å; Q22-R24 PolarHBondContact O-N 2.93Å
23	T	36	Very low	41.2	Very low	135 Å²	135	124.2 Å²	124.2	83%	0.828	69%	0.688	S	S	*	*			trans	-61.7	76.3	156.9	45.7	0	0	0	0	104.7	A21 G25	A21-T23 VanDerWaalsContact C-N 3.33Å; A21-T23 PolarHBondContact O-N 3.33Å; T23-G25 PolarHBondContact O-N 3.24Å
24	R	35.8	Very low	42.2	Very low	185 Å²	185	129.8 Å²	129.8	70%	0.698	70%	0.7	S	S	*	*			trans	-79.1	44.4	161.7	-134.6	-177.4	-175.2	172.8	3.7	107	Q22 D26	Q22-R24 HydrophobicContact CG-CB 4.35Å; Q22-R24 HydrophobicContact CG-CG 4.49Å; Q22-R24 PolarHBondContact O-N 2.93Å; R24-D26 WeakPolarHBondContact CG-OD2 3.48Å; R24-D26 IonicContact NE-OD2 3.37Å; R24-D26 PolarHBondContact O-N 3.16Å
25	G	37.1	Very low	43.9	Very low	65 Å²	65	126 Å²	126	67%	0.67	68%	0.68	S	S	*	*				-73.5	65.3	128.3	0	0	0	0	0	106.3	T23 Y27	T23-G25 PolarHBondContact O-N 3.24Å; G25-Y27 VanDerWaalsContact C-N 3.25Å; G25-Y27 PolarHBondContact O-N 2.89Å
26	D	31.6	Very low	45.4	Very low	112 Å²	112	121.7 Å²	121.7	60%	0.599	68%	0.676	S	S	*	*			trans	-54.2	113.6	145.9	-86.4	-34.1	0	0	0	102.6	R24 S28	R24-D26 WeakPolarHBondContact CG-OD2 3.48Å; R24-D26 IonicContact NE-OD2 3.37Å; R24-D26 PolarHBondContact O-N 3.16Å; D26-S28 PolarHBondContact O-N 3.36Å
27	Y	48.5	Very low	46.9	Very low	220 Å²	220	121.3 Å²	121.3	86%	0.863	68%	0.675	S	S	*	*			trans	-48.2	87.2	155.2	-120.4	-101.9	0	0	0	105.5	G25 E29	G25-Y27 VanDerWaalsContact C-N 3.25Å; G25-Y27 PolarHBondContact O-N 2.89Å; Y27-E29 PolarHBondContact O-N 3.43Å
28	S	42.3	Very low	48.5	Very low	92 Å²	92	120.5 Å²	120.5	64%	0.643	68%	0.677	S	S	*	*			trans	-74.9	83.7	165.1	-169.7	0	0	0	0	104.6	D26 D30	D26-S28 PolarHBondContact O-N 3.36Å; S28-D30 PolarHBondContact O-N 3.02Å
29	E	50.6	Low	50.1	Low	166 Å²	166	121.6 Å²	121.6	78%	0.776	68%	0.675	S	S	*	*			trans	-45.3	126.9	146.9	-69.7	-172.3	143.9	0	0	107.4	Y27	Y27-E29 PolarHBondContact O-N 3.43Å
30	D	57.3	Low	52.1	Low	123 Å²	123	121.3 Å²	121.3	66%	0.658	66%	0.658	S	S	*	*			trans	71.2	86.7	179.5	-82.8	-32.3	0	0	0	120.1	S28 T32	S28-D30 PolarHBondContact O-N 3.02Å; D30-T32 PolarHBondContact OD1-OG1 3.49Å
31	C	57.4	Low	54	Low	73 Å²	73	121.7 Å²	121.7	49%	0.493	66%	0.659	S	S	.	*			trans	-99.2	77	133.2	-81.1	0	0	0	0	109.1
32	T	56.3	Low	56.2	Low	74 Å²	74	122.7 Å²	122.7	45%	0.454	66%	0.658	S	S	.	*			trans	-129	110.2	166.7	63	0	0	0	0	111.8	D30	D30-T32 PolarHBondContact OD1-OG1 3.49Å
33	P	56.5	Low	58.6	Low	69 Å²	69	120.4 Å²	120.4	45%	0.448	65%	0.654	S	S	.	*			trans	-75	119.9	132.8	4.7	14.3	0	0	0	106.3	D35 Y40	P33-D35 PolarHBondContact O-N 3.37Å; P33-Y40 HydrophobicContact CB-CE2 4.47Å; P33-Y40 VanDerWaalsContact CD-CE2 3.4Å; P33-Y40 HydrophobicContact CG-CD2 3.83Å; P33-Y40 HydrophobicContact CG-CE2 3.52Å
34	R	55.7	Low	61	Low	245 Å²	245	119.8 Å²	119.8	93%	0.925	65%	0.651	S	S	*	*	S	Bend	trans	-71.4	71.1	177.5	-71.8	-175.9	-179.7	-177.1	0.3	110.8
35	D	70.9	Confident	63.5	Low	66 Å²	66	115.6 Å²	115.6	35%	0.353	65%	0.648	S	S	.	*	S	Bend	trans	-118.1	-1	-174.8	58.4	19.1	0	0	0	113.7	P33 F37 Y40	P33-D35 PolarHBondContact O-N 3.37Å; D35-F37 HydrophobicContact CB-CD2 4.1Å; D35-F37 WeakPolarHBondContact O-CD2 3.49Å; D35-F37 PolarHBondContact OD1-N 3.19Å; D35-F37 VanDerWaalsContact OD1-N 3.11Å; D35-Y40 VanDerWaalsContact CG-OH 3.25Å; D35-Y40 PolarHBondContact OD1-OH 3.11Å; D35-Y40 PolarHBondContact OD2-OH 3.38Å
36	G	66.8	Low	65.8	Low	79 Å²	79	114.2 Å²	114.2	81%	0.814	63%	0.634	S	S	*	*	S	Bend	trans	88	2.1	175.8	0	0	0	0	0	115.4
37	F	69.8	Low	68.4	Low	172 Å²	172	112.9 Å²	112.9	75%	0.754	63%	0.63	S	S	*	*	S	Bend	trans	-91.2	5.3	-176.8	-69.3	-85.4	0	0	0	115.1	D35	D35-F37 HydrophobicContact CB-CD2 4.1Å; D35-F37 WeakPolarHBondContact O-CD2 3.49Å; D35-F37 PolarHBondContact OD1-N 3.19Å; D35-F37 VanDerWaalsContact OD1-N 3.11Å
38	G	69.4	Low	70.2	Confident	52 Å²	52	104.5 Å²	104.5	54%	0.536	61%	0.606	S	S	.	*			trans	87.5	-157.4	178.5	0	0	0	0	0	113.4
39	K	71.8	Confident	72.5	Confident	186 Å²	186	103.8 Å²	103.8	81%	0.809	60%	0.595	S	S	*	*			trans	-83.6	127.9	-179.2	-70.7	-174.5	179.3	-176.4	0	110.3
40	Y	76.4	Confident	74.3	Confident	104 Å²	104	102.9 Å²	102.9	41%	0.408	59%	0.586	S	S	.	*			trans	-78.8	129.6	177	-74.7	-92.6	0	0	0	110.9	P33 D35	P33-Y40 HydrophobicContact CB-CE2 4.47Å; P33-Y40 VanDerWaalsContact CD-CE2 3.4Å; P33-Y40 HydrophobicContact CG-CD2 3.83Å; P33-Y40 HydrophobicContact CG-CE2 3.52Å; D35-Y40 VanDerWaalsContact CG-OH 3.25Å; D35-Y40 PolarHBondContact OD1-OH 3.11Å; D35-Y40 PolarHBondContact OD2-OH 3.38Å
41	C	74.2	Confident	75.8	Confident	108 Å²	108	101.7 Å²	101.7	73%	0.73	58%	0.579	S	S	*	*			trans	-110.7	151.4	173	-66.1	0	0	0	0	109.8
42	P	81.3	Confident	77.3	Confident	109 Å²	109	103.6 Å²	103.6	71%	0.708	58%	0.584	S	S	*	*			trans	-54	141.5	170.3	-23.7	33.5	0	0	0	111.2	V47	P42-V47 HydrophobicContact CB-CG2 4.29Å
43	T	86	Confident	78.8	Confident	93 Å²	93	108.1 Å²	108.1	57%	0.571	59%	0.593	S	S	*	*			trans	-68.5	154.8	177.1	66.7	0	0	0	0	110.4	C45 G46 V47	T43-C45 PolarHBondContact O-N 2.92Å; T43-C45 VanDerWaalsContact O-N 3.16Å; T43-G46 WeakPolarHBondContact O-CA 3.25Å; T43-G46 PolarHBondContact O-N 3.11Å; T43-G46 PolarHBondContact OG1-N 3.35Å; T43-V47 PolarHBondContact O-N 2.88Å
44	T	85.3	Confident	80.3	Confident	123 Å²	123	110.7 Å²	110.7	76%	0.755	59%	0.594	S	S	*	*	H	α-helix	trans	-57.7	-28.9	174.3	50	0	0	0	0	112.2	A48	T44-A48 VanDerWaalsContact O-CB 3.25Å; T44-A48 WeakPolarHBondContact O-CB 3.43Å; T44-A48 PolarHBondContact O-N 3.22Å
45	C	87.7	Confident	81.9	Confident	96 Å²	96	103.9 Å²	103.9	65%	0.649	57%	0.572	S	S	*	*	H	α-helix	trans	-65.4	-42.5	171.2	-61.6	0	0	0	0	112.5	T43 A48 D49	T43-C45 PolarHBondContact O-N 2.92Å; T43-C45 VanDerWaalsContact O-N 3.16Å; C45-A48 PolarHBondContact O-N 2.79Å; C45-D49 WeakPolarHBondContact O-CB 3.25Å; C45-D49 PolarHBondContact O-N 3.02Å
46	G	87.1	Confident	82.9	Confident	36 Å²	36	104.4 Å²	104.4	37%	0.371	58%	0.578	S	S	.	*	H	α-helix	trans	-66.5	-38	176.4	0	0	0	0	0	112.6	T43 Y50	T43-G46 WeakPolarHBondContact O-CA 3.25Å; T43-G46 PolarHBondContact O-N 3.11Å; T43-G46 PolarHBondContact OG1-N 3.35Å; G46-Y50 WeakPolarHBondContact O-CB 3.4Å; G46-Y50 PolarHBondContact O-N 2.88Å
47	V	85.8	Confident	84.1	Confident	84 Å²	84	104.7 Å²	104.7	51%	0.509	56%	0.564	S	S	.	*	H	α-helix	trans	-66.7	-42.2	173.6	179.7	0	0	0	0	111.1	P42 T43 Y50 L51	P42-V47 HydrophobicContact CB-CG2 4.29Å; T43-V47 PolarHBondContact O-N 2.88Å; V47-Y50 PolarHBondContact O-N 3.13Å; V47-L51 WeakPolarHBondContact O-CB 3.09Å; V47-L51 PolarHBondContact O-N 2.53Å
48	A	86.4	Confident	85	Confident	44 Å²	44	98.5 Å²	98.5	36%	0.364	54%	0.54	S	S	.	.	H	α-helix	trans	-66.1	-41.2	177.6	0	0	0	0	0	112.5	T44 C45 L51 N52	T44-A48 VanDerWaalsContact O-CB 3.25Å; T44-A48 WeakPolarHBondContact O-CB 3.43Å; T44-A48 PolarHBondContact O-N 3.22Å; C45-A48 PolarHBondContact O-N 2.79Å; A48-L51 PolarHBondContact O-N 2.87Å; A48-N52 WeakPolarHBondContact O-CB 3.3Å; A48-N52 VanDerWaalsContact O-CG 3.25Å; A48-N52 PolarHBondContact O-N 3.35Å; A48-N52 PolarHBondContact O-ND2 3.29Å
49	D	89.6	Confident	86	Confident	77 Å²	77	98.9 Å²	98.9	41%	0.412	53%	0.53	S	S	.	.	H	α-helix	trans	-64.7	-42.1	175.5	-170.6	44	0	0	0	111.4	C45 L51 N52 R53	C45-D49 WeakPolarHBondContact O-CB 3.25Å; C45-D49 PolarHBondContact O-N 3.02Å; D49-L51 PolarHBondContact O-N 2.91Å; D49-N52 PolarHBondContact O-N 3.33Å; D49-R53 WeakPolarHBondContact O-CG 3.41Å; D49-R53 PolarHBondContact O-N 3.42Å; D49-R53 VanDerWaalsContact O-N 3.11Å; D49-R53 IonicContact OD1-NE 3.6Å; D49-R53 IonicContact OD1-NH2 3.81Å; D49-R53 IonicContact OD2-CZ 3.35Å; D49-R53 IonicContact OD2-NE 3.33Å; D49-R53 PolarHBondContact OD2-NE 3.42Å; D49-R53 IonicContact OD2-NH2 2.77Å; D49-R53 PolarHBondContact OD2-NH2 3.01Å
50	Y	88.6	Confident	86.9	Confident	148 Å²	148	96.9 Å²	96.9	58%	0.58	52%	0.521	S	S	*	.	H	α-helix	trans	-59.1	-47.7	173	179.3	-93.7	0	0	0	111.7	G46 V47 N52 R53 Y54	G46-Y50 WeakPolarHBondContact O-CB 3.4Å; G46-Y50 PolarHBondContact O-N 2.88Å; V47-Y50 PolarHBondContact O-N 3.13Å; Y50-N52 VanDerWaalsContact C-N 3.33Å; Y50-N52 PolarHBondContact O-N 3.23Å; Y50-R53 PolarHBondContact O-N 3.31Å; Y50-Y54 HydrophobicContact CE1-CD2 4.46Å; Y50-Y54 HydrophobicContact CE1-CG 4.22Å; Y50-Y54 VanDerWaalsContact O-CB 3.3Å; Y50-Y54 WeakPolarHBondContact O-CB 3.4Å; Y50-Y54 PolarHBondContact O-N 3.39Å
51	L	88.6	Confident	87.6	Confident	97 Å²	97	95.7 Å²	95.7	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-62.6	-40.5	-180	-168.3	69.7	0	0	0	111.7	V47 A48 D49 R53 Y54 K55	V47-L51 WeakPolarHBondContact O-CB 3.09Å; V47-L51 PolarHBondContact O-N 2.53Å; A48-L51 PolarHBondContact O-N 2.87Å; D49-L51 PolarHBondContact O-N 2.91Å; L51-R53 VanDerWaalsContact C-N 3.28Å; L51-R53 PolarHBondContact O-N 3.16Å; L51-Y54 PolarHBondContact O-N 3.47Å; L51-K55 WeakPolarHBondContact O-CB 3.41Å; L51-K55 PolarHBondContact O-N 2.86Å
52	N	89.2	Confident	88.3	Confident	114 Å²	114	94.9 Å²	94.9	61%	0.61	51%	0.51	S	S	*	.	H	α-helix	trans	-67.6	-25.6	178	-74.2	-27.2	0	0	0	113.3	A48 D49 Y50 P56	A48-N52 WeakPolarHBondContact O-CB 3.3Å; A48-N52 VanDerWaalsContact O-CG 3.25Å; A48-N52 PolarHBondContact O-N 3.35Å; A48-N52 PolarHBondContact O-ND2 3.29Å; D49-N52 PolarHBondContact O-N 3.33Å; Y50-N52 VanDerWaalsContact C-N 3.33Å; Y50-N52 PolarHBondContact O-N 3.23Å; N52-P56 WeakPolarHBondContact O-CD 3.4Å; N52-P56 VanDerWaalsContact O-CG 3.25Å; N52-P56 WeakPolarHBondContact O-CG 3.39Å
53	R	87.5	Confident	88.8	Confident	169 Å²	169	94.6 Å²	94.6	64%	0.638	50%	0.503	S	S	*	.	H	α-helix	trans	-84.6	-39	172.9	-67.8	-179.2	-162	-164	7.8	112.7	D49 Y50 L51 V57	D49-R53 WeakPolarHBondContact O-CG 3.41Å; D49-R53 PolarHBondContact O-N 3.42Å; D49-R53 VanDerWaalsContact O-N 3.11Å; D49-R53 IonicContact OD1-NE 3.6Å; D49-R53 IonicContact OD1-NH2 3.81Å; D49-R53 IonicContact OD2-CZ 3.35Å; D49-R53 IonicContact OD2-NE 3.33Å; D49-R53 PolarHBondContact OD2-NE 3.42Å; D49-R53 IonicContact OD2-NH2 2.77Å; D49-R53 PolarHBondContact OD2-NH2 3.01Å; Y50-R53 PolarHBondContact O-N 3.31Å; L51-R53 VanDerWaalsContact C-N 3.28Å; L51-R53 PolarHBondContact O-N 3.16Å; R53-V57 WeakPolarHBondContact O-CG2 3.49Å
54	Y	88.9	Confident	89.1	Confident	122 Å²	122	95.8 Å²	95.8	48%	0.478	50%	0.502	S	S	.	.	H	α-helix	trans	-75.4	-44.8	-175.8	-177.1	-98.1	0	0	0	112.1	Y50 L51 V57 V58	Y50-Y54 HydrophobicContact CE1-CD2 4.46Å; Y50-Y54 HydrophobicContact CE1-CG 4.22Å; Y50-Y54 VanDerWaalsContact O-CB 3.3Å; Y50-Y54 WeakPolarHBondContact O-CB 3.4Å; Y50-Y54 PolarHBondContact O-N 3.39Å; L51-Y54 PolarHBondContact O-N 3.47Å; Y54-V57 PolarHBondContact O-N 3.36Å; Y54-V58 HydrophobicContact CD1-CG2 3.94Å; Y54-V58 HydrophobicContact CD2-CG2 4.28Å; Y54-V58 HydrophobicContact CE1-CB 4.3Å; Y54-V58 HydrophobicContact CE1-CG2 3.43Å; Y54-V58 VanDerWaalsContact CE1-CG2 3.43Å; Y54-V58 HydrophobicContact CE2-CG2 3.82Å; Y54-V58 HydrophobicContact CG-CG2 4.34Å; Y54-V58 PolarHBondContact O-N 3.05Å; Y54-V58 VanDerWaalsContact O-N 3.13Å
55	K	89.6	Confident	89.1	Confident	103 Å²	103	95 Å²	95	45%	0.448	49%	0.491	S	S	.	.	H	α-helix	trans	-57.8	-48.7	-173.3	177.4	166.6	176	47.6	0	113.7	L51 V57 V58 D59	L51-K55 WeakPolarHBondContact O-CB 3.41Å; L51-K55 PolarHBondContact O-N 2.86Å; K55-V57 VanDerWaalsContact C-N 3.26Å; K55-V57 PolarHBondContact O-N 2.73Å; K55-V58 PolarHBondContact O-N 3.09Å; K55-D59 WeakPolarHBondContact CE-OD2 3.31Å; K55-D59 WeakPolarHBondContact CG-OD2 3.22Å; K55-D59 VanDerWaalsContact NZ-CG 3.35Å; K55-D59 IonicContact NZ-OD1 3.09Å; K55-D59 PolarHBondContact NZ-OD1 2.75Å; K55-D59 VanDerWaalsContact NZ-OD1 3.09Å; K55-D59 IonicContact NZ-OD2 2.73Å; K55-D59 PolarHBondContact NZ-OD2 2.91Å; K55-D59 VanDerWaalsContact O-CB 3.31Å; K55-D59 WeakPolarHBondContact O-CB 3.12Å; K55-D59 PolarHBondContact O-N 2.98Å
56	P	91.7	Very high	89.3	Confident	76 Å²	76	97 Å²	97	49%	0.494	49%	0.491	S	S	.	.	H	α-helix	trans	-65.4	-29.7	-178.7	-19.8	32.4	0	0	0	113.5	N52 K60	N52-P56 WeakPolarHBondContact O-CD 3.4Å; N52-P56 VanDerWaalsContact O-CG 3.25Å; N52-P56 WeakPolarHBondContact O-CG 3.39Å; P56-K60 WeakPolarHBondContact O-CB 3.35Å; P56-K60 PolarHBondContact O-N 3.5Å; P56-K60 VanDerWaalsContact O-N 3.16Å
57	V	90.3	Very high	89.6	Confident	86 Å²	86	99.2 Å²	99.2	52%	0.521	49%	0.494	S	S	.	.	H	α-helix	trans	-71.2	-48.5	178.5	179.2	0	0	0	0	109.8	R53 Y54 K55 K60 D61	R53-V57 WeakPolarHBondContact O-CG2 3.49Å; Y54-V57 PolarHBondContact O-N 3.36Å; K55-V57 VanDerWaalsContact C-N 3.26Å; K55-V57 PolarHBondContact O-N 2.73Å; V57-K60 PolarHBondContact O-N 3.07Å; V57-D61 PolarHBondContact O-N 3.27Å
58	V	89.3	Confident	89.8	Confident	41 Å²	41	99.2 Å²	99.2	25%	0.248	49%	0.49	C	S	.	.	H	α-helix	trans	-68.9	-38.4	179	176.9	0	0	0	0	112.3	Y54 K55 K60 D61 L62	Y54-V58 HydrophobicContact CD1-CG2 3.94Å; Y54-V58 HydrophobicContact CD2-CG2 4.28Å; Y54-V58 HydrophobicContact CE1-CB 4.3Å; Y54-V58 HydrophobicContact CE1-CG2 3.43Å; Y54-V58 VanDerWaalsContact CE1-CG2 3.43Å; Y54-V58 HydrophobicContact CE2-CG2 3.82Å; Y54-V58 HydrophobicContact CG-CG2 4.34Å; Y54-V58 PolarHBondContact O-N 3.05Å; Y54-V58 VanDerWaalsContact O-N 3.13Å; K55-V58 PolarHBondContact O-N 3.09Å; V58-K60 VanDerWaalsContact C-N 3.27Å; V58-K60 PolarHBondContact O-N 3.41Å; V58-D61 PolarHBondContact O-N 3.35Å; V58-L62 HydrophobicContact CG1-CD1 3.96Å; V58-L62 HydrophobicContact CG1-CG 4.43Å; V58-L62 WeakPolarHBondContact O-CB 3.44Å; V58-L62 WeakPolarHBondContact O-CG 3.3Å; V58-L62 PolarHBondContact O-N 3.09Å
59	D	90.4	Very high	89.9	Confident	61 Å²	61	102.3 Å²	102.3	33%	0.326	50%	0.5	S	S	.	.	H	α-helix	trans	-60.2	-41.5	175.4	-71.7	-14.1	0	0	0	109.9	K55 L62 D63	K55-D59 WeakPolarHBondContact CE-OD2 3.31Å; K55-D59 WeakPolarHBondContact CG-OD2 3.22Å; K55-D59 VanDerWaalsContact NZ-CG 3.35Å; K55-D59 IonicContact NZ-OD1 3.09Å; K55-D59 PolarHBondContact NZ-OD1 2.75Å; K55-D59 VanDerWaalsContact NZ-OD1 3.09Å; K55-D59 IonicContact NZ-OD2 2.73Å; K55-D59 PolarHBondContact NZ-OD2 2.91Å; K55-D59 VanDerWaalsContact O-CB 3.31Å; K55-D59 WeakPolarHBondContact O-CB 3.12Å; K55-D59 PolarHBondContact O-N 2.98Å; D59-L62 PolarHBondContact O-N 3.43Å; D59-D63 VanDerWaalsContact O-CG 3.32Å; D59-D63 PolarHBondContact O-N 3.22Å
60	K	91.5	Very high	89.9	Confident	143 Å²	143	100.3 Å²	100.3	62%	0.622	50%	0.498	S	S	*	.	H	α-helix	trans	-65.1	-42.6	175.6	-173.6	-176.3	176.5	-172.6	0	113	P56 V57 V58 L62 D63 E64	P56-K60 WeakPolarHBondContact O-CB 3.35Å; P56-K60 PolarHBondContact O-N 3.5Å; P56-K60 VanDerWaalsContact O-N 3.16Å; V57-K60 PolarHBondContact O-N 3.07Å; V58-K60 VanDerWaalsContact C-N 3.27Å; V58-K60 PolarHBondContact O-N 3.41Å; K60-L62 VanDerWaalsContact C-N 3.28Å; K60-L62 PolarHBondContact O-N 3.4Å; K60-D63 PolarHBondContact O-N 2.71Å; K60-E64 PolarHBondContact O-N 2.9Å
61	D	89.9	Confident	90	Very high	79 Å²	79	100.8 Å²	100.8	42%	0.422	50%	0.498	S	S	.	.	H	α-helix	trans	-65.1	-35.1	177.8	-68.6	-12.8	0	0	0	111.3	V57 V58 M65	V57-D61 PolarHBondContact O-N 3.27Å; V58-D61 PolarHBondContact O-N 3.35Å; D61-M65 WeakPolarHBondContact O-CG 3.45Å; D61-M65 PolarHBondContact O-N 3.49Å; D61-M65 VanDerWaalsContact O-N 3.09Å
62	L	89.3	Confident	89.9	Confident	92 Å²	92	100.4 Å²	100.4	48%	0.482	50%	0.496	S	S	.	.	H	α-helix	trans	-66.9	-44.8	174.1	-79.5	164.8	0	0	0	111.9	V58 D59 K60 E64 M65 E66	V58-L62 HydrophobicContact CG1-CD1 3.96Å; V58-L62 HydrophobicContact CG1-CG 4.43Å; V58-L62 WeakPolarHBondContact O-CB 3.44Å; V58-L62 WeakPolarHBondContact O-CG 3.3Å; V58-L62 PolarHBondContact O-N 3.09Å; D59-L62 PolarHBondContact O-N 3.43Å; K60-L62 VanDerWaalsContact C-N 3.28Å; K60-L62 PolarHBondContact O-N 3.4Å; L62-E64 VanDerWaalsContact C-N 3.29Å; L62-E64 PolarHBondContact O-N 2.94Å; L62-M65 HydrophobicContact CD2-CE 4.14Å; L62-M65 PolarHBondContact O-N 3.32Å; L62-E66 PolarHBondContact O-N 2.98Å
63	D	91.7	Very high	89.7	Confident	103 Å²	103	98.4 Å²	98.4	55%	0.551	49%	0.488	S	S	*	.	H	α-helix	trans	-60.7	-38.9	176.5	-70.8	-18.2	0	0	0	111.5	D59 K60 E66 D67	D59-D63 VanDerWaalsContact O-CG 3.32Å; D59-D63 PolarHBondContact O-N 3.22Å; K60-D63 PolarHBondContact O-N 2.71Å; D63-E66 PolarHBondContact O-N 3.32Å; D63-D67 PolarHBondContact O-N 2.7Å
64	E	92.7	Very high	89.6	Confident	117 Å²	117	96.1 Å²	96.1	55%	0.547	49%	0.489	S	S	.	.	H	α-helix	trans	-67.1	-40.6	176.8	-171.2	168.5	-176.6	0	0	111.8	K60 L62 E66 D67 I68	K60-E64 PolarHBondContact O-N 2.9Å; L62-E64 VanDerWaalsContact C-N 3.29Å; L62-E64 PolarHBondContact O-N 2.94Å; E64-E66 VanDerWaalsContact C-N 3.33Å; E64-E66 PolarHBondContact O-N 2.96Å; E64-D67 PolarHBondContact O-N 3.25Å; E64-I68 HydrophobicContact CG-CD1 4.39Å; E64-I68 VanDerWaalsContact O-CG1 3.3Å; E64-I68 WeakPolarHBondContact O-CG1 3.4Å; E64-I68 PolarHBondContact O-N 3.45Å; E64-I68 VanDerWaalsContact O-N 3.07Å
65	M	86.1	Confident	89.6	Confident	108 Å²	108	96.6 Å²	96.6	53%	0.532	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-37.2	172.9	-76.1	-169.1	-80.1	0	0	112.3	D61 L62 I68 L69	D61-M65 WeakPolarHBondContact O-CG 3.45Å; D61-M65 PolarHBondContact O-N 3.49Å; D61-M65 VanDerWaalsContact O-N 3.09Å; L62-M65 HydrophobicContact CD2-CE 4.14Å; L62-M65 PolarHBondContact O-N 3.32Å; M65-I68 PolarHBondContact O-N 2.88Å; M65-L69 WeakPolarHBondContact O-CB 3.46Å; M65-L69 PolarHBondContact O-N 2.98Å
66	E	91.3	Very high	89.2	Confident	138 Å²	138	95.4 Å²	95.4	65%	0.645	50%	0.5	S	S	*	.	H	α-helix	trans	-66	-41.7	176.1	-169.6	172.4	-175.9	0	0	111.9	L62 D63 E64 I68 L69 G70	L62-E66 PolarHBondContact O-N 2.98Å; D63-E66 PolarHBondContact O-N 3.32Å; E64-E66 VanDerWaalsContact C-N 3.33Å; E64-E66 PolarHBondContact O-N 2.96Å; E66-I68 PolarHBondContact O-N 3.22Å; E66-L69 PolarHBondContact O-N 3.44Å; E66-G70 PolarHBondContact O-N 2.9Å
67	D	92.5	Very high	88.7	Confident	81 Å²	81	94.9 Å²	94.9	43%	0.433	50%	0.495	S	S	.	.	H	α-helix	trans	-62.2	-43.3	174.3	-176.2	59.2	0	0	0	111.8	D63 E64 L69 G70 R71	D63-D67 PolarHBondContact O-N 2.7Å; E64-D67 PolarHBondContact O-N 3.25Å; D67-L69 VanDerWaalsContact C-N 3.32Å; D67-L69 PolarHBondContact O-N 2.93Å; D67-G70 PolarHBondContact O-N 3.26Å; D67-R71 WeakPolarHBondContact O-CG 3.34Å; D67-R71 PolarHBondContact O-N 2.96Å; D67-R71 IonicContact OD1-NE 3.96Å; D67-R71 IonicContact OD2-CZ 3.13Å; D67-R71 IonicContact OD2-NE 2.94Å; D67-R71 PolarHBondContact OD2-NE 3.26Å; D67-R71 IonicContact OD2-NH2 2.71Å; D67-R71 PolarHBondContact OD2-NH2 2.64Å
68	I	91.5	Very high	88.3	Confident	84 Å²	84	92.4 Å²	92.4	43%	0.431	49%	0.488	S	S	.	.	H	α-helix	trans	-60.8	-44.5	175.9	-68.6	167	0	0	0	110.4	E64 M65 E66 G70 R71 I72	E64-I68 HydrophobicContact CG-CD1 4.39Å; E64-I68 VanDerWaalsContact O-CG1 3.3Å; E64-I68 WeakPolarHBondContact O-CG1 3.4Å; E64-I68 PolarHBondContact O-N 3.45Å; E64-I68 VanDerWaalsContact O-N 3.07Å; M65-I68 PolarHBondContact O-N 2.88Å; E66-I68 PolarHBondContact O-N 3.22Å; I68-G70 VanDerWaalsContact C-N 3.33Å; I68-G70 PolarHBondContact O-N 3.09Å; I68-R71 PolarHBondContact O-N 3.37Å; I68-I72 HydrophobicContact CG2-CD1 3.9Å; I68-I72 WeakPolarHBondContact O-CG1 3.49Å; I68-I72 PolarHBondContact O-N 3.04Å
69	L	87.7	Confident	87.7	Confident	110 Å²	110	93 Å²	93	58%	0.576	50%	0.497	S	S	*	.	H	α-helix	trans	-61.9	-42.5	177.3	-163.4	79.3	0	0	0	111.2	M65 E66 D67 R71 I72 T73	M65-L69 WeakPolarHBondContact O-CB 3.46Å; M65-L69 PolarHBondContact O-N 2.98Å; E66-L69 PolarHBondContact O-N 3.44Å; D67-L69 VanDerWaalsContact C-N 3.32Å; D67-L69 PolarHBondContact O-N 2.93Å; L69-R71 VanDerWaalsContact C-N 3.34Å; L69-R71 PolarHBondContact O-N 3.41Å; L69-I72 PolarHBondContact O-N 2.94Å; L69-T73 PolarHBondContact O-N 3.25Å; L69-T73 PolarHBondContact O-OG1 3.47Å; L69-T73 VanDerWaalsContact O-OG1 3.09Å
70	G	90.5	Very high	87.1	Confident	35 Å²	35	94.1 Å²	94.1	36%	0.361	51%	0.506	S	S	.	.	H	α-helix	trans	-59.1	-42.3	175	0	0	0	0	0	112.8	E66 D67 I68 T73 N74	E66-G70 PolarHBondContact O-N 2.9Å; D67-G70 PolarHBondContact O-N 3.26Å; I68-G70 VanDerWaalsContact C-N 3.33Å; I68-G70 PolarHBondContact O-N 3.09Å; G70-T73 PolarHBondContact O-N 2.9Å; G70-N74 PolarHBondContact O-N 3.03Å
71	R	90.7	Very high	86.6	Confident	157 Å²	157	93.6 Å²	93.6	59%	0.592	51%	0.506	S	S	*	.	H	α-helix	trans	-63.6	-43.1	174.5	-68.7	176.5	-166.9	-167	6.5	112.2	D67 I68 L69 N74 L75	D67-R71 WeakPolarHBondContact O-CG 3.34Å; D67-R71 PolarHBondContact O-N 2.96Å; D67-R71 IonicContact OD1-NE 3.96Å; D67-R71 IonicContact OD2-CZ 3.13Å; D67-R71 IonicContact OD2-NE 2.94Å; D67-R71 PolarHBondContact OD2-NE 3.26Å; D67-R71 IonicContact OD2-NH2 2.71Å; D67-R71 PolarHBondContact OD2-NH2 2.64Å; I68-R71 PolarHBondContact O-N 3.37Å; L69-R71 VanDerWaalsContact C-N 3.34Å; L69-R71 PolarHBondContact O-N 3.41Å; R71-N74 PolarHBondContact O-N 2.99Å; R71-L75 WeakPolarHBondContact O-CG 3.42Å; R71-L75 PolarHBondContact O-N 3Å
72	I	86.1	Confident	86.3	Confident	89 Å²	89	96.8 Å²	96.8	46%	0.456	52%	0.516	S	S	.	.	H	α-helix	trans	-62.2	-45.6	177.6	-68.3	167.7	0	0	0	110.2	I68 L69 N74 L75 T76	I68-I72 HydrophobicContact CG2-CD1 3.9Å; I68-I72 WeakPolarHBondContact O-CG1 3.49Å; I68-I72 PolarHBondContact O-N 3.04Å; L69-I72 PolarHBondContact O-N 2.94Å; I72-N74 VanDerWaalsContact C-N 3.34Å; I72-N74 PolarHBondContact O-N 3Å; I72-L75 PolarHBondContact O-N 2.94Å; I72-T76 PolarHBondContact O-N 3.18Å; I72-T76 PolarHBondContact O-OG1 3.44Å
73	T	85.7	Confident	85.7	Confident	72 Å²	72	96.7 Å²	96.7	44%	0.442	52%	0.519	S	S	.	.	H	α-helix	trans	-62.4	-38.9	178	-60.6	0	0	0	0	112.3	L69 G70 T76 T77	L69-T73 PolarHBondContact O-N 3.25Å; L69-T73 PolarHBondContact O-OG1 3.47Å; L69-T73 VanDerWaalsContact O-OG1 3.09Å; G70-T73 PolarHBondContact O-N 2.9Å; T73-T76 VanDerWaalsContact CA-OG1 3.3Å; T73-T76 WeakPolarHBondContact CA-OG1 3.38Å; T73-T76 PolarHBondContact O-N 2.99Å; T73-T76 PolarHBondContact O-OG1 2.74Å; T73-T77 WeakPolarHBondContact O-CB 3.3Å; T73-T77 PolarHBondContact O-N 3.36Å; T73-T77 PolarHBondContact O-OG1 3.49Å
74	N	85.2	Confident	85.1	Confident	122 Å²	122	95.3 Å²	95.3	65%	0.652	51%	0.514	S	S	*	.	H	α-helix	trans	-65.1	-40.4	174.3	-80.1	-21.3	0	0	0	112.1	G70 R71 I72 T77 G78	G70-N74 PolarHBondContact O-N 3.03Å; R71-N74 PolarHBondContact O-N 2.99Å; I72-N74 VanDerWaalsContact C-N 3.34Å; I72-N74 PolarHBondContact O-N 3Å; N74-T77 PolarHBondContact O-N 3.23Å; N74-G78 PolarHBondContact O-N 2.99Å
75	L	88.1	Confident	84.3	Confident	131 Å²	131	97.7 Å²	97.7	69%	0.686	52%	0.519	S	S	*	.	H	α-helix	trans	-66.2	-41.6	177	-73.7	168.6	0	0	0	112.3	R71 I72 G78 A79	R71-L75 WeakPolarHBondContact O-CG 3.42Å; R71-L75 PolarHBondContact O-N 3Å; I72-L75 PolarHBondContact O-N 2.94Å; L75-G78 PolarHBondContact O-N 2.99Å; L75-A79 PolarHBondContact O-N 3.49Å
76	T	81.1	Confident	83.8	Confident	79 Å²	79	97.8 Å²	97.8	49%	0.485	52%	0.52	S	S	.	.	H	α-helix	trans	-67.4	-38.9	176.8	39.6	0	0	0	0	112.1	I72 T73 A79 T80	I72-T76 PolarHBondContact O-N 3.18Å; I72-T76 PolarHBondContact O-OG1 3.44Å; T73-T76 VanDerWaalsContact CA-OG1 3.3Å; T73-T76 WeakPolarHBondContact CA-OG1 3.38Å; T73-T76 PolarHBondContact O-N 2.99Å; T73-T76 PolarHBondContact O-OG1 2.74Å; T76-A79 PolarHBondContact O-N 3.19Å; T76-T80 PolarHBondContact O-N 3.42Å; T76-T80 PolarHBondContact O-OG1 2.96Å
77	T	80.6	Confident	83.1	Confident	64 Å²	64	98.1 Å²	98.1	39%	0.393	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-43	174.3	-51.7	0	0	0	0	111.4	T73 N74 A79 T80 E81	T73-T77 WeakPolarHBondContact O-CB 3.3Å; T73-T77 PolarHBondContact O-N 3.36Å; T73-T77 PolarHBondContact O-OG1 3.49Å; N74-T77 PolarHBondContact O-N 3.23Å; T77-A79 VanDerWaalsContact C-N 3.29Å; T77-A79 PolarHBondContact O-N 3Å; T77-T80 WeakPolarHBondContact CA-OG1 3.37Å; T77-T80 PolarHBondContact O-N 3.28Å; T77-T80 PolarHBondContact O-OG1 3.14Å; T77-E81 WeakPolarHBondContact O-CG 3.31Å; T77-E81 PolarHBondContact O-N 3.03Å
78	G	81.9	Confident	82.1	Confident	35 Å²	35	98.9 Å²	98.9	36%	0.361	52%	0.523	S	S	.	.	H	α-helix	trans	-63.5	-33.7	174.4	0	0	0	0	0	113.2	N74 L75 K82	N74-G78 PolarHBondContact O-N 2.99Å; L75-G78 PolarHBondContact O-N 2.99Å; G78-K82 WeakPolarHBondContact O-CB 3.42Å; G78-K82 PolarHBondContact O-N 2.85Å; G78-K82 VanDerWaalsContact O-N 3.14Å
79	A	78	Confident	81.1	Confident	53 Å²	53	96.7 Å²	96.7	44%	0.438	52%	0.515	S	S	.	.	H	α-helix	trans	-69.4	-42.7	175.5	0	0	0	0	0	112.3	L75 T76 T77 K82 V83	L75-A79 PolarHBondContact O-N 3.49Å; T76-A79 PolarHBondContact O-N 3.19Å; T77-A79 VanDerWaalsContact C-N 3.29Å; T77-A79 PolarHBondContact O-N 3Å; A79-K82 PolarHBondContact O-N 3.32Å; A79-V83 WeakPolarHBondContact O-CG2 3.4Å; A79-V83 PolarHBondContact O-N 2.95Å
80	T	77.7	Confident	80	Confident	85 Å²	85	93.3 Å²	93.3	52%	0.521	50%	0.503	S	S	.	.	H	α-helix	trans	-66.7	-39.6	178	46.6	0	0	0	0	112.2	T76 T77 K82 V83 T84	T76-T80 PolarHBondContact O-N 3.42Å; T76-T80 PolarHBondContact O-OG1 2.96Å; T77-T80 WeakPolarHBondContact CA-OG1 3.37Å; T77-T80 PolarHBondContact O-N 3.28Å; T77-T80 PolarHBondContact O-OG1 3.14Å; T80-K82 VanDerWaalsContact C-N 3.32Å; T80-K82 PolarHBondContact O-N 2.8Å; T80-V83 PolarHBondContact O-N 2.95Å; T80-T84 PolarHBondContact O-N 3.37Å; T80-T84 PolarHBondContact O-OG1 3.35Å
81	E	80.5	Confident	78.8	Confident	131 Å²	131	95 Å²	95	61%	0.612	51%	0.507	S	S	*	.	H	α-helix	trans	-60.1	-42.9	172.4	-73.9	178.8	174.8	0	0	111.5	T77 T84 Y85	T77-E81 WeakPolarHBondContact O-CG 3.31Å; T77-E81 PolarHBondContact O-N 3.03Å; E81-T84 WeakPolarHBondContact O-CB 3.34Å; E81-T84 PolarHBondContact O-N 3.46Å; E81-Y85 PolarHBondContact O-N 3.44Å
82	K	82.6	Confident	77.3	Confident	147 Å²	147	94.9 Å²	94.9	64%	0.639	51%	0.513	S	S	*	.	H	α-helix	trans	-67.8	-38.2	179.2	-158.7	164.3	-171.3	171.6	0	112.6	G78 A79 T80 T84 Y85 M86	G78-K82 WeakPolarHBondContact O-CB 3.42Å; G78-K82 PolarHBondContact O-N 2.85Å; G78-K82 VanDerWaalsContact O-N 3.14Å; A79-K82 PolarHBondContact O-N 3.32Å; T80-K82 VanDerWaalsContact C-N 3.32Å; T80-K82 PolarHBondContact O-N 2.8Å; K82-T84 VanDerWaalsContact C-N 3.34Å; K82-Y85 PolarHBondContact O-N 3.45Å; K82-M86 VanDerWaalsContact O-CG 3.31Å; K82-M86 WeakPolarHBondContact O-CG 3.36Å; K82-M86 PolarHBondContact O-N 3.44Å
83	V	78.3	Confident	75.9	Confident	89 Å²	89	97.5 Å²	97.5	54%	0.539	52%	0.523	S	S	.	.	H	α-helix	trans	-63.7	-41.5	172.5	170.5	0	0	0	0	111	A79 T80 M86 K87	A79-V83 WeakPolarHBondContact O-CG2 3.4Å; A79-V83 PolarHBondContact O-N 2.95Å; T80-V83 PolarHBondContact O-N 2.95Å; V83-M86 HydrophobicContact CG2-CE 4.11Å; V83-M86 PolarHBondContact O-N 3.31Å; V83-K87 WeakPolarHBondContact O-CB 3.44Å; V83-K87 PolarHBondContact O-N 2.93Å
84	T	77.8	Confident	74.3	Confident	74 Å²	74	99.8 Å²	99.8	45%	0.454	53%	0.528	S	S	.	.	H	α-helix	trans	-63.3	-45.7	176.4	-52.4	0	0	0	0	111.1	T80 E81 K82 M86 K87 D88	T80-T84 PolarHBondContact O-N 3.37Å; T80-T84 PolarHBondContact O-OG1 3.35Å; E81-T84 WeakPolarHBondContact O-CB 3.34Å; E81-T84 PolarHBondContact O-N 3.46Å; K82-T84 VanDerWaalsContact C-N 3.34Å; T84-M86 PolarHBondContact O-N 2.92Å; T84-K87 WeakPolarHBondContact O-CB 3.37Å; T84-K87 PolarHBondContact O-N 3.17Å; T84-K87 VanDerWaalsContact O-N 3.17Å; T84-D88 PolarHBondContact O-N 2.95Å
85	Y	77	Confident	72.9	Confident	168 Å²	168	103.8 Å²	103.8	66%	0.659	54%	0.54	S	S	*	.	H	α-helix	trans	-60	-44.1	174.7	177.7	-97.2	0	0	0	112.7	E81 K82 K87 D88 S89	E81-Y85 PolarHBondContact O-N 3.44Å; K82-Y85 PolarHBondContact O-N 3.45Å; Y85-K87 VanDerWaalsContact C-N 3.3Å; Y85-K87 PolarHBondContact O-N 2.88Å; Y85-D88 PolarHBondContact O-N 3.26Å; Y85-S89 WeakPolarHBondContact O-CB 3.27Å; Y85-S89 PolarHBondContact O-N 2.92Å
86	M	75.2	Confident	71.1	Confident	110 Å²	110	102.2 Å²	102.2	54%	0.542	54%	0.54	S	S	.	.	H	α-helix	trans	-63.1	-37.3	176	-73.5	-172	-59.7	0	0	112	K82 V83 T84 A90	K82-M86 VanDerWaalsContact O-CG 3.31Å; K82-M86 WeakPolarHBondContact O-CG 3.36Å; K82-M86 PolarHBondContact O-N 3.44Å; V83-M86 HydrophobicContact CG2-CE 4.11Å; V83-M86 PolarHBondContact O-N 3.31Å; T84-M86 PolarHBondContact O-N 2.92Å; M86-A90 VanDerWaalsContact O-CB 3.27Å; M86-A90 WeakPolarHBondContact O-CB 3.5Å; M86-A90 PolarHBondContact O-N 3.02Å
87	K	76.1	Confident	69.7	Low	145 Å²	145	102.2 Å²	102.2	63%	0.63	56%	0.555	S	S	*	*	H	α-helix	trans	-63.9	-46.8	174	-177.5	-177.9	177.7	179.8	0	111.4	V83 T84 Y85 S89 A90 T91	V83-K87 WeakPolarHBondContact O-CB 3.44Å; V83-K87 PolarHBondContact O-N 2.93Å; T84-K87 WeakPolarHBondContact O-CB 3.37Å; T84-K87 PolarHBondContact O-N 3.17Å; T84-K87 VanDerWaalsContact O-N 3.17Å; Y85-K87 VanDerWaalsContact C-N 3.3Å; Y85-K87 PolarHBondContact O-N 2.88Å; K87-S89 VanDerWaalsContact C-N 3.35Å; K87-S89 PolarHBondContact O-N 3.28Å; K87-A90 PolarHBondContact O-N 3.28Å; K87-T91 PolarHBondContact O-N 2.92Å; K87-T91 PolarHBondContact O-OG1 2.9Å
88	D	72.4	Confident	68.5	Low	96 Å²	96	102.8 Å²	102.8	51%	0.513	58%	0.575	S	S	.	*	H	α-helix	trans	-65.3	-39.7	179.8	-69.2	-16.9	0	0	0	111.7	T84 Y85 T91 Q92	T84-D88 PolarHBondContact O-N 2.95Å; Y85-D88 PolarHBondContact O-N 3.26Å; D88-T91 PolarHBondContact O-N 3.41Å; D88-Q92 PolarHBondContact O-N 3.15Å
89	S	70.6	Confident	67.6	Low	39 Å²	39	105.7 Å²	105.7	27%	0.273	58%	0.582	S	S	.	*	H	α-helix	trans	-64.9	-41.4	173.7	-170.7	0	0	0	0	112.3	Y85 K87 T91 Q92 H93	Y85-S89 WeakPolarHBondContact O-CB 3.27Å; Y85-S89 PolarHBondContact O-N 2.92Å; K87-S89 VanDerWaalsContact C-N 3.35Å; K87-S89 PolarHBondContact O-N 3.28Å; S89-T91 VanDerWaalsContact C-N 3.29Å; S89-T91 PolarHBondContact O-N 3.48Å; S89-Q92 PolarHBondContact O-N 3.4Å; S89-H93 PolarHBondContact O-N 3.46Å; S89-H93 VanDerWaalsContact O-N 3.15Å
90	A	63.8	Low	67.1	Low	38 Å²	38	108.5 Å²	108.5	31%	0.314	59%	0.593	S	S	.	*	H	α-helix	trans	-64.9	-32.7	173.9	0	0	0	0	0	112.6	M86 K87 H93 Q94 Y102	M86-A90 VanDerWaalsContact O-CB 3.27Å; M86-A90 WeakPolarHBondContact O-CB 3.5Å; M86-A90 PolarHBondContact O-N 3.02Å; K87-A90 PolarHBondContact O-N 3.28Å; A90-H93 PolarHBondContact O-N 3.36Å; A90-Q94 PolarHBondContact O-N 3.25Å; A90-Y102 PolarHBondContact O-OH 3.45Å; A90-Y102 VanDerWaalsContact O-OH 3.1Å
91	T	64.7	Low	66.6	Low	71 Å²	71	110.9 Å²	110.9	44%	0.436	60%	0.598	S	S	.	*	H	α-helix	trans	-72.5	-33.2	177	-44.9	0	0	0	0	111.4	K87 D88 S89 Q94	K87-T91 PolarHBondContact O-N 2.92Å; K87-T91 PolarHBondContact O-OG1 2.9Å; D88-T91 PolarHBondContact O-N 3.41Å; S89-T91 VanDerWaalsContact C-N 3.29Å; S89-T91 PolarHBondContact O-N 3.48Å; T91-Q94 VanDerWaalsContact O-CB 3.29Å; T91-Q94 WeakPolarHBondContact O-CB 3.1Å; T91-Q94 PolarHBondContact O-N 2.67Å
92	Q	61	Low	66	Low	154 Å²	154	108.9 Å²	108.9	72%	0.72	59%	0.586	S	S	*	*	H	α-helix	trans	-66.4	-37.3	170.5	-86	-175.5	-24	0	0	112.7	D88 S89 Q94	D88-Q92 PolarHBondContact O-N 3.15Å; S89-Q92 PolarHBondContact O-N 3.4Å; Q92-Q94 PolarHBondContact O-N 3.36Å
93	H	55	Low	65.5	Low	144 Å²	144	109.2 Å²	109.2	67%	0.667	59%	0.587	S	S	*	*	H	α-helix	trans	-71.3	-14.6	175.5	-80.6	-41.8	0	0	0	114.3	S89 A90 K95 S96	S89-H93 PolarHBondContact O-N 3.46Å; S89-H93 VanDerWaalsContact O-N 3.15Å; A90-H93 PolarHBondContact O-N 3.36Å; H93-K95 PolarHBondContact O-N 2.71Å; H93-K95 VanDerWaalsContact O-N 3.17Å; H93-S96 PolarHBondContact O-N 3.1Å
94	Q	53.8	Low	65.5	Low	120 Å²	120	113.4 Å²	113.4	56%	0.561	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-9	176.8	-131.3	170.9	9.7	0	0	114.1	A90 T91 Q92 S96 Y102	A90-Q94 PolarHBondContact O-N 3.25Å; T91-Q94 VanDerWaalsContact O-CB 3.29Å; T91-Q94 WeakPolarHBondContact O-CB 3.1Å; T91-Q94 PolarHBondContact O-N 2.67Å; Q92-Q94 PolarHBondContact O-N 3.36Å; Q94-S96 VanDerWaalsContact C-N 3.34Å; Q94-Y102 HydrophobicContact CG-CE1 3.95Å
95	K	54.6	Low	65.4	Low	206 Å²	206	113.5 Å²	113.5	90%	0.896	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	1.9	177.1	-77	-174.6	177	178.3	0	115	H93	H93-K95 PolarHBondContact O-N 2.71Å; H93-K95 VanDerWaalsContact O-N 3.17Å
96	S	50.1	Low	65.4	Low	99 Å²	99	107.7 Å²	107.7	69%	0.692	58%	0.584	S	S	*	*	S	Bend	trans	-136.7	112.7	176.8	129.5	0	0	0	0	111	H93 Q94	H93-S96 PolarHBondContact O-N 3.1Å; Q94-S96 VanDerWaalsContact C-N 3.34Å
97	G	52.4	Low	65.9	Low	78 Å²	78	105.7 Å²	105.7	80%	0.804	58%	0.58	S	S	*	*			trans	60.7	107.5	155.5	0	0	0	0	0	118.2	D99	G97-D99 PolarHBondContact O-N 3.35Å
98	G	55.2	Low	66.2	Low	77 Å²	77	103 Å²	103	79%	0.794	57%	0.572	S	S	*	*			trans	-73.6	114	-176.1	0	0	0	0	0	115.6
99	D	62.1	Low	66.7	Low	95 Å²	95	103.8 Å²	103.8	51%	0.508	58%	0.575	S	S	.	*			trans	-91.2	135.2	168.1	-163	-15.4	0	0	0	111.1	G97 H101 Y102 K103	G97-D99 PolarHBondContact O-N 3.35Å; D99-H101 PolarHBondContact O-N 3.17Å; D99-H101 IonicContact OD1-CD2 2.8Å; D99-H101 PolarHBondContact OD1-N 3.44Å; D99-Y102 WeakPolarHBondContact O-CB 3.32Å; D99-Y102 PolarHBondContact O-N 3.48Å; D99-Y102 VanDerWaalsContact O-N 3.11Å; D99-K103 PolarHBondContact O-N 3.04Å
100	V	67.8	Low	67.3	Low	113 Å²	113	106.8 Å²	106.8	69%	0.685	59%	0.589	S	S	*	*	H	α-helix	trans	-61.4	-35.1	-179.2	167.6	0	0	0	0	111.2	Y102 K103 R104	V100-Y102 VanDerWaalsContact C-N 3.32Å; V100-Y102 PolarHBondContact O-N 3.13Å; V100-K103 PolarHBondContact O-N 3.31Å; V100-R104 PolarHBondContact O-N 3.23Å; V100-R104 VanDerWaalsContact O-N 3.08Å
101	H	68.1	Low	68.4	Low	135 Å²	135	108.2 Å²	108.2	63%	0.625	59%	0.591	S	S	*	*	H	α-helix	trans	-66	-35.7	176.6	-68.2	-75.2	0	0	0	111.9	D99 R104 S105	D99-H101 PolarHBondContact O-N 3.17Å; D99-H101 IonicContact OD1-CD2 2.8Å; D99-H101 PolarHBondContact OD1-N 3.44Å; H101-R104 PolarHBondContact O-N 3.42Å; H101-S105 PolarHBondContact O-N 3.26Å; H101-S105 PolarHBondContact O-OG 3.41Å; H101-S105 VanDerWaalsContact O-OG 3.1Å
102	Y	67.2	Low	69.4	Low	89 Å²	89	108.5 Å²	108.5	35%	0.349	59%	0.593	S	S	.	*	H	α-helix	trans	-68.5	-42.2	176.4	-174.9	-89.7	0	0	0	112	A90 Q94 D99 V100 R104 S105 A106	A90-Y102 PolarHBondContact O-OH 3.45Å; A90-Y102 VanDerWaalsContact O-OH 3.1Å; Q94-Y102 HydrophobicContact CG-CE1 3.95Å; D99-Y102 WeakPolarHBondContact O-CB 3.32Å; D99-Y102 PolarHBondContact O-N 3.48Å; D99-Y102 VanDerWaalsContact O-N 3.11Å; V100-Y102 VanDerWaalsContact C-N 3.32Å; V100-Y102 PolarHBondContact O-N 3.13Å; Y102-R104 VanDerWaalsContact C-N 3.32Å; Y102-R104 PolarHBondContact O-N 3.37Å; Y102-S105 PolarHBondContact O-N 2.89Å; Y102-A106 WeakPolarHBondContact O-CB 3.32Å; Y102-A106 PolarHBondContact O-N 2.96Å
103	K	71.6	Confident	70.4	Confident	153 Å²	153	105.5 Å²	105.5	67%	0.665	58%	0.581	S	S	*	*	H	α-helix	trans	-61.2	-39.4	174.1	-72.8	-174.5	177.1	-179.8	0	112.3	D99 V100 A106 S107	D99-K103 PolarHBondContact O-N 3.04Å; V100-K103 PolarHBondContact O-N 3.31Å; K103-A106 PolarHBondContact O-N 3.22Å; K103-S107 PolarHBondContact O-N 3.48Å
104	R	78.3	Confident	72.1	Confident	178 Å²	178	106.4 Å²	106.4	67%	0.672	58%	0.578	S	S	*	*	H	α-helix	trans	-66.9	-43.6	176.2	-169.5	173.8	-176.8	173.4	0.4	111.9	V100 H101 Y102 A106 S107 I108	V100-R104 PolarHBondContact O-N 3.23Å; V100-R104 VanDerWaalsContact O-N 3.08Å; H101-R104 PolarHBondContact O-N 3.42Å; Y102-R104 VanDerWaalsContact C-N 3.32Å; Y102-R104 PolarHBondContact O-N 3.37Å; R104-A106 PolarHBondContact O-N 2.87Å; R104-S107 PolarHBondContact O-N 3.48Å; R104-I108 HydrophobicContact CG-CD1 4.11Å; R104-I108 VanDerWaalsContact O-CG1 3.29Å; R104-I108 WeakPolarHBondContact O-CG1 3.36Å; R104-I108 PolarHBondContact O-N 3.1Å
105	S	77	Confident	73.8	Confident	75 Å²	75	106.6 Å²	106.6	52%	0.524	58%	0.578	S	S	.	*	H	α-helix	trans	-62.8	-39.9	175.1	-63.2	0	0	0	0	112.4	H101 Y102 I108 L109	H101-S105 PolarHBondContact O-N 3.26Å; H101-S105 PolarHBondContact O-OG 3.41Å; H101-S105 VanDerWaalsContact O-OG 3.1Å; Y102-S105 PolarHBondContact O-N 2.89Å; S105-I108 PolarHBondContact O-N 3.49Å; S105-L109 WeakPolarHBondContact O-CB 3.29Å; S105-L109 PolarHBondContact O-N 3.5Å
106	A	77.6	Confident	75.5	Confident	47 Å²	47	102.2 Å²	102.2	39%	0.388	56%	0.56	S	S	.	*	H	α-helix	trans	-64.7	-40.4	174.8	0	0	0	0	0	112.6	Y102 K103 R104 L109 D110	Y102-A106 WeakPolarHBondContact O-CB 3.32Å; Y102-A106 PolarHBondContact O-N 2.96Å; K103-A106 PolarHBondContact O-N 3.22Å; R104-A106 PolarHBondContact O-N 2.87Å; A106-L109 WeakPolarHBondContact O-CB 3.43Å; A106-L109 PolarHBondContact O-N 3.24Å; A106-D110 PolarHBondContact O-N 3.33Å; A106-D110 VanDerWaalsContact O-N 3.09Å
107	S	84	Confident	77.3	Confident	67 Å²	67	105.4 Å²	105.4	47%	0.469	56%	0.562	S	S	.	*	H	α-helix	trans	-64.5	-42.3	174.3	-173.2	0	0	0	0	112.2	K103 R104 L109 D110 D111	K103-S107 PolarHBondContact O-N 3.48Å; R104-S107 PolarHBondContact O-N 3.48Å; S107-L109 VanDerWaalsContact C-N 3.26Å; S107-L109 PolarHBondContact O-N 2.99Å; S107-D110 PolarHBondContact O-N 3.09Å; S107-D111 PolarHBondContact O-N 3.31Å
108	I	83.1	Confident	79.3	Confident	90 Å²	90	104.6 Å²	104.6	46%	0.462	54%	0.541	S	S	.	.	H	α-helix	trans	-62.7	-37.6	175.9	-70	166.1	0	0	0	110.2	R104 S105 D111 V112	R104-I108 HydrophobicContact CG-CD1 4.11Å; R104-I108 VanDerWaalsContact O-CG1 3.29Å; R104-I108 WeakPolarHBondContact O-CG1 3.36Å; R104-I108 PolarHBondContact O-N 3.1Å; S105-I108 PolarHBondContact O-N 3.49Å; I108-D111 PolarHBondContact O-N 3.22Å; I108-V112 HydrophobicContact CG2-CG2 4.39Å; I108-V112 VanDerWaalsContact O-CG2 3.24Å; I108-V112 WeakPolarHBondContact O-CG2 3.5Å; I108-V112 PolarHBondContact O-N 3.47Å
109	L	82.9	Confident	81.1	Confident	111 Å²	111	105 Å²	105	58%	0.581	53%	0.525	S	S	*	.	H	α-helix	trans	-66.4	-37.6	177.4	-159.8	74	0	0	0	112.1	S105 A106 S107 V112 L113	S105-L109 WeakPolarHBondContact O-CB 3.29Å; S105-L109 PolarHBondContact O-N 3.5Å; A106-L109 WeakPolarHBondContact O-CB 3.43Å; A106-L109 PolarHBondContact O-N 3.24Å; S107-L109 VanDerWaalsContact C-N 3.26Å; S107-L109 PolarHBondContact O-N 2.99Å; L109-V112 PolarHBondContact O-N 3.38Å; L109-L113 WeakPolarHBondContact O-CG 3.4Å; L109-L113 PolarHBondContact O-N 2.9Å
110	D	83.1	Confident	82.5	Confident	103 Å²	103	104.6 Å²	104.6	55%	0.551	53%	0.525	S	S	*	.	H	α-helix	trans	-65.4	-41.5	173.4	-166.9	68.4	0	0	0	111.9	A106 S107 V112 L113 R114	A106-D110 PolarHBondContact O-N 3.33Å; A106-D110 VanDerWaalsContact O-N 3.09Å; S107-D110 PolarHBondContact O-N 3.09Å; D110-V112 PolarHBondContact O-N 2.88Å; D110-L113 PolarHBondContact O-N 3.5Å; D110-R114 PolarHBondContact O-N 3.06Å
111	D	86.6	Confident	83.6	Confident	67 Å²	67	102 Å²	102	36%	0.358	51%	0.512	S	S	.	.	H	α-helix	trans	-62.6	-41.3	173.7	-73.7	-29.1	0	0	0	111.8	S107 I108 R114 F115	S107-D111 PolarHBondContact O-N 3.31Å; I108-D111 PolarHBondContact O-N 3.22Å; D111-R114 PolarHBondContact O-N 3.02Å; D111-F115 HydrophobicContact CB-CD2 4.48Å; D111-F115 HydrophobicContact CB-CE2 4.21Å; D111-F115 WeakPolarHBondContact O-CB 3.45Å; D111-F115 WeakPolarHBondContact O-CD2 3.41Å; D111-F115 WeakPolarHBondContact O-CG 3.48Å; D111-F115 PolarHBondContact O-N 3.4Å
112	V	85.6	Confident	84.9	Confident	78 Å²	78	100.6 Å²	100.6	47%	0.473	51%	0.505	S	S	.	.	H	α-helix	trans	-61.2	-45.4	175.5	168.3	0	0	0	0	110.9	I108 L109 D110 R114 F115 E116	I108-V112 HydrophobicContact CG2-CG2 4.39Å; I108-V112 VanDerWaalsContact O-CG2 3.24Å; I108-V112 WeakPolarHBondContact O-CG2 3.5Å; I108-V112 PolarHBondContact O-N 3.47Å; L109-V112 PolarHBondContact O-N 3.38Å; D110-V112 PolarHBondContact O-N 2.88Å; V112-R114 VanDerWaalsContact C-N 3.31Å; V112-R114 PolarHBondContact O-N 3.28Å; V112-F115 PolarHBondContact O-N 3.04Å; V112-E116 WeakPolarHBondContact O-CB 3.38Å; V112-E116 PolarHBondContact O-N 3.25Å
113	L	83.6	Confident	86.1	Confident	90 Å²	90	101.1 Å²	101.1	47%	0.471	51%	0.511	S	S	.	.	H	α-helix	trans	-64.8	-33.8	176.3	-70.2	169.9	0	0	0	112.4	L109 D110 K117	L109-L113 WeakPolarHBondContact O-CG 3.4Å; L109-L113 PolarHBondContact O-N 2.9Å; D110-L113 PolarHBondContact O-N 3.5Å; L113-K117 PolarHBondContact O-N 2.91Å
114	R	88.6	Confident	87.2	Confident	164 Å²	164	99.3 Å²	99.3	62%	0.619	51%	0.505	S	S	*	.	H	α-helix	trans	-69.7	-43.2	173.4	176.8	-175.6	-86.4	-159.8	-4.4	111.7	D110 D111 V112 K117 T118	D110-R114 PolarHBondContact O-N 3.06Å; D111-R114 PolarHBondContact O-N 3.02Å; V112-R114 VanDerWaalsContact C-N 3.31Å; V112-R114 PolarHBondContact O-N 3.28Å; R114-K117 PolarHBondContact O-N 3.47Å; R114-T118 PolarHBondContact O-N 3.04Å; R114-T118 VanDerWaalsContact O-N 3.12Å; R114-T118 PolarHBondContact O-OG1 3.02Å
115	F	91.2	Very high	88	Confident	124 Å²	124	96.1 Å²	96.1	54%	0.544	50%	0.498	S	S	.	.	H	α-helix	trans	-66	-39.3	177.6	-71.4	-43.3	0	0	0	111.4	D111 V112 K117 T118 I119	D111-F115 HydrophobicContact CB-CD2 4.48Å; D111-F115 HydrophobicContact CB-CE2 4.21Å; D111-F115 WeakPolarHBondContact O-CB 3.45Å; D111-F115 WeakPolarHBondContact O-CD2 3.41Å; D111-F115 WeakPolarHBondContact O-CG 3.48Å; D111-F115 PolarHBondContact O-N 3.4Å; V112-F115 PolarHBondContact O-N 3.04Å; F115-K117 VanDerWaalsContact C-N 3.34Å; F115-K117 PolarHBondContact O-N 3.28Å; F115-T118 CarbonylContact O-C 3.6Å; F115-T118 PolarHBondContact O-N 3.49Å; F115-T118 VanDerWaalsContact O-N 3.08Å; F115-I119 HydrophobicContact CB-CD1 4.44Å; F115-I119 WeakPolarHBondContact O-CB 3.48Å; F115-I119 WeakPolarHBondContact O-CG1 3.45Å; F115-I119 PolarHBondContact O-N 3.4Å
116	E	89.3	Confident	88.9	Confident	114 Å²	114	96.9 Å²	96.9	53%	0.533	50%	0.495	S	S	.	.	H	α-helix	trans	-53.3	-50.5	174	-174.6	-177.3	-174.2	0	0	111.4	V112 T118 I119 V120	V112-E116 WeakPolarHBondContact O-CB 3.38Å; V112-E116 PolarHBondContact O-N 3.25Å; E116-T118 VanDerWaalsContact C-N 3.32Å; E116-T118 PolarHBondContact O-N 3.25Å; E116-I119 PolarHBondContact O-N 2.91Å; E116-V120 VanDerWaalsContact O-CG2 3.32Å; E116-V120 WeakPolarHBondContact O-CG2 3.31Å; E116-V120 PolarHBondContact O-N 3.29Å
117	K	89.1	Confident	89.7	Confident	165 Å²	165	102.5 Å²	102.5	72%	0.717	51%	0.507	S	S	*	.	H	α-helix	trans	-61.6	-38.5	176.3	-69.5	178	-178.7	176	0	113.1	L113 R114 F115 S121	L113-K117 PolarHBondContact O-N 2.91Å; R114-K117 PolarHBondContact O-N 3.47Å; F115-K117 VanDerWaalsContact C-N 3.34Å; F115-K117 PolarHBondContact O-N 3.28Å; K117-S121 PolarHBondContact O-N 3Å; K117-S121 VanDerWaalsContact O-N 3.13Å
118	T	93.4	Very high	90.2	Very high	62 Å²	62	104.5 Å²	104.5	38%	0.38	51%	0.509	S	S	.	.	H	α-helix	trans	-70.5	-41.4	179.9	-54.7	0	0	0	0	111.2	R114 F115 E116 S121 Q122	R114-T118 PolarHBondContact O-N 3.04Å; R114-T118 VanDerWaalsContact O-N 3.12Å; R114-T118 PolarHBondContact O-OG1 3.02Å; F115-T118 CarbonylContact O-C 3.6Å; F115-T118 PolarHBondContact O-N 3.49Å; F115-T118 VanDerWaalsContact O-N 3.08Å; E116-T118 VanDerWaalsContact C-N 3.32Å; E116-T118 PolarHBondContact O-N 3.25Å; T118-S121 PolarHBondContact O-N 3.45Å; T118-Q122 HydrophobicContact CG2-CG 4.45Å; T118-Q122 WeakPolarHBondContact O-CB 3.41Å; T118-Q122 WeakPolarHBondContact O-CG 3.28Å; T118-Q122 PolarHBondContact O-N 3Å
119	I	93.6	Very high	90.8	Very high	86 Å²	86	105.8 Å²	105.8	44%	0.441	52%	0.517	S	S	.	.	H	α-helix	trans	-61.4	-47.9	176.8	-70.9	164.8	0	0	0	109.5	F115 E116 S121 Q122 E123	F115-I119 HydrophobicContact CB-CD1 4.44Å; F115-I119 WeakPolarHBondContact O-CB 3.48Å; F115-I119 WeakPolarHBondContact O-CG1 3.45Å; F115-I119 PolarHBondContact O-N 3.4Å; E116-I119 PolarHBondContact O-N 2.91Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 3.35Å; I119-Q122 PolarHBondContact O-N 2.97Å; I119-Q122 VanDerWaalsContact O-N 3.15Å; I119-E123 HydrophobicContact CG2-CG 4.37Å; I119-E123 WeakPolarHBondContact O-CB 3.39Å; I119-E123 WeakPolarHBondContact O-CG 3.48Å; I119-E123 PolarHBondContact O-N 2.92Å
120	V	90.8	Very high	91.4	Very high	85 Å²	85	105.4 Å²	105.4	52%	0.515	51%	0.512	S	S	.	.	H	α-helix	trans	-58.6	-43.3	176.6	172.2	0	0	0	0	111.5	E116 E123 E124	E116-V120 VanDerWaalsContact O-CG2 3.32Å; E116-V120 WeakPolarHBondContact O-CG2 3.31Å; E116-V120 PolarHBondContact O-N 3.29Å; V120-E123 PolarHBondContact O-N 3.44Å; V120-E124 PolarHBondContact O-N 3.25Å; V120-E124 VanDerWaalsContact O-N 3.09Å
121	S	91.4	Very high	92	Very high	58 Å²	58	102.7 Å²	102.7	41%	0.406	51%	0.508	S	S	.	.	H	α-helix	trans	-66	-38.3	176.9	-180	0	0	0	0	112.9	K117 T118 I119 E124 Q125	K117-S121 PolarHBondContact O-N 3Å; K117-S121 VanDerWaalsContact O-N 3.13Å; T118-S121 PolarHBondContact O-N 3.45Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 3.35Å; S121-E124 PolarHBondContact O-N 3.47Å; S121-Q125 WeakPolarHBondContact O-CG 3.44Å; S121-Q125 PolarHBondContact O-N 3.43Å; S121-Q125 VanDerWaalsContact O-N 3.17Å
122	Q	94.4	Very high	92.4	Very high	106 Å²	106	105.3 Å²	105.3	50%	0.495	52%	0.52	S	S	.	.	H	α-helix	trans	-70.2	-37.9	176.2	-74.9	177.7	-15.5	0	0	112	T118 I119 E124 Q125 I126	T118-Q122 HydrophobicContact CG2-CG 4.45Å; T118-Q122 WeakPolarHBondContact O-CB 3.41Å; T118-Q122 WeakPolarHBondContact O-CG 3.28Å; T118-Q122 PolarHBondContact O-N 3Å; I119-Q122 PolarHBondContact O-N 2.97Å; I119-Q122 VanDerWaalsContact O-N 3.15Å; Q122-E124 VanDerWaalsContact C-N 3.31Å; Q122-E124 PolarHBondContact O-N 3.27Å; Q122-Q125 PolarHBondContact O-N 3.19Å; Q122-I126 VanDerWaalsContact O-CG1 3.28Å; Q122-I126 WeakPolarHBondContact O-CG1 3.39Å; Q122-I126 PolarHBondContact O-N 2.81Å
123	E	93.9	Very high	93	Very high	100 Å²	100	106 Å²	106	47%	0.467	52%	0.52	S	S	.	.	H	α-helix	trans	-58.5	-44.8	172.7	-77.4	-178.2	166.9	0	0	110.7	I119 V120 Q125 I126 Y127	I119-E123 HydrophobicContact CG2-CG 4.37Å; I119-E123 WeakPolarHBondContact O-CB 3.39Å; I119-E123 WeakPolarHBondContact O-CG 3.48Å; I119-E123 PolarHBondContact O-N 2.92Å; V120-E123 PolarHBondContact O-N 3.44Å; E123-Q125 PolarHBondContact O-N 3.44Å; E123-I126 PolarHBondContact O-N 3.17Å; E123-Y127 WeakPolarHBondContact O-CD2 3.4Å; E123-Y127 PolarHBondContact O-N 3.09Å
124	E	93.4	Very high	93.6	Very high	116 Å²	116	106.9 Å²	106.9	54%	0.542	52%	0.522	S	S	.	.	H	α-helix	trans	-59.7	-44.4	175.6	-168.8	-177.8	175.5	0	0	112.2	V120 S121 Q122 I126 Y127 Q128	V120-E124 PolarHBondContact O-N 3.25Å; V120-E124 VanDerWaalsContact O-N 3.09Å; S121-E124 PolarHBondContact O-N 3.47Å; Q122-E124 VanDerWaalsContact C-N 3.31Å; Q122-E124 PolarHBondContact O-N 3.27Å; E124-I126 VanDerWaalsContact C-N 3.33Å; E124-I126 PolarHBondContact O-N 3.46Å; E124-Y127 PolarHBondContact O-N 3.15Å; E124-Q128 WeakPolarHBondContact O-CG 3.49Å; E124-Q128 PolarHBondContact O-N 2.89Å
125	Q	95.2	Very high	93.9	Very high	110 Å²	110	102.1 Å²	102.1	51%	0.514	51%	0.514	S	S	.	.	H	α-helix	trans	-61.9	-39.9	175.7	-72.2	-178.6	-14.1	0	0	112.4	S121 Q122 E123 Q128 L129	S121-Q125 WeakPolarHBondContact O-CG 3.44Å; S121-Q125 PolarHBondContact O-N 3.43Å; S121-Q125 VanDerWaalsContact O-N 3.17Å; Q122-Q125 PolarHBondContact O-N 3.19Å; E123-Q125 PolarHBondContact O-N 3.44Å; Q125-Q128 PolarHBondContact O-N 3.36Å; Q125-L129 WeakPolarHBondContact O-CG 3.21Å; Q125-L129 PolarHBondContact O-N 3.13Å
126	I	95.7	Very high	94.2	Very high	91 Å²	91	100.2 Å²	100.2	47%	0.467	51%	0.509	S	S	.	.	H	α-helix	trans	-62.4	-45.2	176.4	-70.6	164.7	0	0	0	110.1	Q122 E123 E124 Q128 L129 Q130	Q122-I126 VanDerWaalsContact O-CG1 3.28Å; Q122-I126 WeakPolarHBondContact O-CG1 3.39Å; Q122-I126 PolarHBondContact O-N 2.81Å; E123-I126 PolarHBondContact O-N 3.17Å; E124-I126 VanDerWaalsContact C-N 3.33Å; E124-I126 PolarHBondContact O-N 3.46Å; I126-Q128 VanDerWaalsContact C-N 3.35Å; I126-Q128 PolarHBondContact O-N 3.29Å; I126-L129 PolarHBondContact O-N 3.01Å; I126-Q130 HydrophobicContact CG2-CG 4.41Å; I126-Q130 VanDerWaalsContact O-CG 3.31Å; I126-Q130 WeakPolarHBondContact O-CG 3.43Å; I126-Q130 PolarHBondContact O-N 3.34Å
127	Y	94.1	Very high	94.6	Very high	165 Å²	165	99.4 Å²	99.4	65%	0.647	50%	0.504	S	S	*	.	H	α-helix	trans	-61.2	-41.5	176.6	-79.3	-65	0	0	0	112.4	E123 E124 Q130 G131	E123-Y127 WeakPolarHBondContact O-CD2 3.4Å; E123-Y127 PolarHBondContact O-N 3.09Å; E124-Y127 PolarHBondContact O-N 3.15Å; Y127-Q130 PolarHBondContact O-N 2.77Å; Y127-G131 PolarHBondContact O-N 3.08Å
128	Q	95.4	Very high	94.9	Very high	110 Å²	110	98.2 Å²	98.2	51%	0.514	50%	0.499	S	S	.	.	H	α-helix	trans	-61.8	-45.5	176	-70.7	178.6	7	0	0	111.9	E124 Q125 I126 G131 M132	E124-Q128 WeakPolarHBondContact O-CG 3.49Å; E124-Q128 PolarHBondContact O-N 2.89Å; Q125-Q128 PolarHBondContact O-N 3.36Å; I126-Q128 VanDerWaalsContact C-N 3.35Å; I126-Q128 PolarHBondContact O-N 3.29Å; Q128-G131 PolarHBondContact O-N 3.12Å; Q128-M132 PolarHBondContact O-N 3.43Å
129	L	95.7	Very high	95.1	Very high	117 Å²	117	102.6 Å²	102.6	61%	0.613	51%	0.509	S	S	*	.	H	α-helix	trans	-65.3	-38.9	178.1	-73.1	172.5	0	0	0	112.3	Q125 I126 G131 M132 L133	Q125-L129 WeakPolarHBondContact O-CG 3.21Å; Q125-L129 PolarHBondContact O-N 3.13Å; I126-L129 PolarHBondContact O-N 3.01Å; L129-G131 VanDerWaalsContact C-N 3.33Å; L129-G131 PolarHBondContact O-N 3.38Å; L129-M132 PolarHBondContact O-N 3.42Å; L129-L133 WeakPolarHBondContact O-CB 3.24Å; L129-L133 PolarHBondContact O-N 2.87Å
130	Q	95.4	Very high	95.2	Very high	102 Å²	102	105 Å²	105	48%	0.477	52%	0.52	S	S	.	.	H	α-helix	trans	-60.1	-43.3	173.2	-74.9	175	-10.8	0	0	111.4	I126 Y127 M132 L133 E134	I126-Q130 HydrophobicContact CG2-CG 4.41Å; I126-Q130 VanDerWaalsContact O-CG 3.31Å; I126-Q130 WeakPolarHBondContact O-CG 3.43Å; I126-Q130 PolarHBondContact O-N 3.34Å; Y127-Q130 PolarHBondContact O-N 2.77Å; Q130-M132 PolarHBondContact O-N 3.37Å; Q130-L133 PolarHBondContact O-N 3.28Å; Q130-E134 PolarHBondContact O-N 2.81Å
131	G	96.1	Very high	95.5	Very high	46 Å²	46	106.7 Å²	106.7	47%	0.474	53%	0.525	S	S	.	.	H	α-helix	trans	-60.6	-42.3	174.8	0	0	0	0	0	113.1	Y127 Q128 L129 S135	Y127-G131 PolarHBondContact O-N 3.08Å; Q128-G131 PolarHBondContact O-N 3.12Å; L129-G131 VanDerWaalsContact C-N 3.33Å; L129-G131 PolarHBondContact O-N 3.38Å; G131-S135 WeakPolarHBondContact O-CB 3.48Å; G131-S135 PolarHBondContact O-N 3.31Å
132	M	95.6	Very high	95.7	Very high	122 Å²	122	107.6 Å²	107.6	60%	0.601	53%	0.525	S	S	*	.	H	α-helix	trans	-65.4	-39.4	175	-70.1	-169.6	-175.8	0	0	112.5	Q128 L129 Q130 S135 N136	Q128-M132 PolarHBondContact O-N 3.43Å; L129-M132 PolarHBondContact O-N 3.42Å; Q130-M132 PolarHBondContact O-N 3.37Å; M132-S135 PolarHBondContact O-N 3.04Å; M132-N136 WeakPolarHBondContact O-CB 3.47Å; M132-N136 PolarHBondContact O-N 3.5Å
133	L	96.9	Very high	95.8	Very high	94 Å²	94	107.8 Å²	107.8	49%	0.492	53%	0.529	S	S	.	.	H	α-helix	trans	-62.2	-47.3	178	-177.8	68.7	0	0	0	111.3	L129 Q130 S135 N136 K137	L129-L133 WeakPolarHBondContact O-CB 3.24Å; L129-L133 PolarHBondContact O-N 2.87Å; Q130-L133 PolarHBondContact O-N 3.28Å; L133-S135 VanDerWaalsContact C-N 3.35Å; L133-S135 PolarHBondContact O-N 2.89Å; L133-N136 PolarHBondContact O-N 3.4Å; L133-K137 WeakPolarHBondContact O-CG 3.5Å; L133-K137 PolarHBondContact O-N 3.36Å
134	E	95.8	Very high	96	Very high	107 Å²	107	109.9 Å²	109.9	50%	0.5	54%	0.537	S	S	.	.	H	α-helix	trans	-64.7	-39.1	177.8	-69.8	-52.1	132.5	0	0	112.1	Q130 K137 K138	Q130-E134 PolarHBondContact O-N 2.81Å; E134-K137 PolarHBondContact O-N 2.99Å; E134-K137 IonicContact OE1-NZ 3.86Å; E134-K137 PolarHBondContact OE1-NZ 3.43Å; E134-K138 PolarHBondContact O-N 3.4Å
135	S	96.7	Very high	96.1	Very high	65 Å²	65	109.4 Å²	109.4	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-60.7	-45.6	172.7	-175.4	0	0	0	0	112.1	G131 M132 L133 K138 R139	G131-S135 WeakPolarHBondContact O-CB 3.48Å; G131-S135 PolarHBondContact O-N 3.31Å; M132-S135 PolarHBondContact O-N 3.04Å; L133-S135 VanDerWaalsContact C-N 3.35Å; L133-S135 PolarHBondContact O-N 2.89Å; S135-K138 PolarHBondContact O-N 3.1Å; S135-R139 WeakPolarHBondContact O-CG 3.45Å; S135-R139 PolarHBondContact O-N 3.48Å
136	N	96.4	Very high	96.2	Very high	83 Å²	83	109.5 Å²	109.5	44%	0.444	54%	0.536	S	S	.	.	H	α-helix	trans	-66.4	-38.9	177.4	-78.1	-19.9	0	0	0	112.5	M132 L133 K138 R139 M140	M132-N136 WeakPolarHBondContact O-CB 3.47Å; M132-N136 PolarHBondContact O-N 3.5Å; L133-N136 PolarHBondContact O-N 3.4Å; N136-K138 VanDerWaalsContact C-N 3.33Å; N136-K138 PolarHBondContact O-N 3.32Å; N136-R139 PolarHBondContact O-N 3.11Å; N136-M140 WeakPolarHBondContact O-CG 3.42Å; N136-M140 PolarHBondContact O-N 3.4Å
137	K	96.9	Very high	96.2	Very high	97 Å²	97	108.8 Å²	108.8	42%	0.422	54%	0.539	S	S	.	.	H	α-helix	trans	-58.4	-45.5	173	-76.9	176.4	-175.8	168.6	0	111.3	L133 E134 R139 M140 L141	L133-K137 WeakPolarHBondContact O-CG 3.5Å; L133-K137 PolarHBondContact O-N 3.36Å; E134-K137 PolarHBondContact O-N 2.99Å; E134-K137 IonicContact OE1-NZ 3.86Å; E134-K137 PolarHBondContact OE1-NZ 3.43Å; K137-R139 PolarHBondContact O-N 3.42Å; K137-M140 WeakPolarHBondContact O-CB 3.35Å; K137-M140 PolarHBondContact O-N 3.31Å; K137-L141 PolarHBondContact O-N 2.93Å; K137-L141 VanDerWaalsContact O-N 3.09Å
138	K	96.7	Very high	96.3	Very high	140 Å²	140	104.4 Å²	104.4	61%	0.609	53%	0.526	S	S	*	.	H	α-helix	trans	-59.5	-47.2	175.5	-173.1	178.1	179	179.1	0	111.3	E134 S135 N136 M140 L141 D142	E134-K138 PolarHBondContact O-N 3.4Å; S135-K138 PolarHBondContact O-N 3.1Å; N136-K138 VanDerWaalsContact C-N 3.33Å; N136-K138 PolarHBondContact O-N 3.32Å; K138-M140 VanDerWaalsContact C-N 3.29Å; K138-M140 PolarHBondContact O-N 2.97Å; K138-L141 WeakPolarHBondContact O-CB 3.46Å; K138-L141 PolarHBondContact O-N 3.09Å; K138-L141 VanDerWaalsContact O-N 3.1Å; K138-D142 PolarHBondContact O-N 3.37Å
139	R	96.9	Very high	96.3	Very high	155 Å²	155	103.7 Å²	103.7	59%	0.585	52%	0.523	S	S	*	.	H	α-helix	trans	-60.7	-36	176.3	-68.4	175	74.1	-178	5.6	112.8	S135 N136 K137 D142 L143	S135-R139 WeakPolarHBondContact O-CG 3.45Å; S135-R139 PolarHBondContact O-N 3.48Å; N136-R139 PolarHBondContact O-N 3.11Å; K137-R139 PolarHBondContact O-N 3.42Å; R139-D142 PolarHBondContact O-N 2.8Å; R139-L143 WeakPolarHBondContact O-CB 3.33Å; R139-L143 VanDerWaalsContact O-CG 3.24Å; R139-L143 WeakPolarHBondContact O-CG 3.47Å; R139-L143 PolarHBondContact O-N 2.97Å
140	M	96.9	Very high	96.3	Very high	137 Å²	137	103.3 Å²	103.3	68%	0.675	52%	0.521	S	S	*	.	H	α-helix	trans	-65.3	-38.9	174.8	-74.9	-177.6	69.7	0	0	112.2	N136 K137 K138 K144	N136-M140 WeakPolarHBondContact O-CG 3.42Å; N136-M140 PolarHBondContact O-N 3.4Å; K137-M140 WeakPolarHBondContact O-CB 3.35Å; K137-M140 PolarHBondContact O-N 3.31Å; K138-M140 VanDerWaalsContact C-N 3.29Å; K138-M140 PolarHBondContact O-N 2.97Å; M140-K144 WeakPolarHBondContact O-CB 3.49Å; M140-K144 PolarHBondContact O-N 3.29Å
141	L	96.1	Very high	96.2	Very high	120 Å²	120	103 Å²	103	63%	0.628	52%	0.523	S	S	*	.	H	α-helix	trans	-65.6	-44.2	174.3	-67.2	173.3	0	0	0	111.1	K137 K138 L143 K144 Q145	K137-L141 PolarHBondContact O-N 2.93Å; K137-L141 VanDerWaalsContact O-N 3.09Å; K138-L141 WeakPolarHBondContact O-CB 3.46Å; K138-L141 PolarHBondContact O-N 3.09Å; K138-L141 VanDerWaalsContact O-N 3.1Å; L141-L143 PolarHBondContact O-N 2.91Å; L141-K144 PolarHBondContact O-N 3.48Å; L141-Q145 PolarHBondContact O-N 2.98Å
142	D	96.4	Very high	96.1	Very high	76 Å²	76	106.9 Å²	106.9	41%	0.406	53%	0.528	S	S	.	.	H	α-helix	trans	-61.9	-43.5	176.4	-65	-25.6	0	0	0	111.3	K138 R139 K144 Q145 M146	K138-D142 PolarHBondContact O-N 3.37Å; R139-D142 PolarHBondContact O-N 2.8Å; D142-K144 VanDerWaalsContact C-N 3.35Å; D142-K144 PolarHBondContact O-N 2.85Å; D142-Q145 WeakPolarHBondContact O-CB 3.44Å; D142-Q145 PolarHBondContact O-N 3.27Å; D142-M146 HydrophobicContact CB-CE 4.39Å; D142-M146 WeakPolarHBondContact O-CG 3.32Å; D142-M146 PolarHBondContact O-N 3.06Å
143	L	96.7	Very high	95.9	Very high	111 Å²	111	109 Å²	109	58%	0.581	53%	0.534	S	S	*	.	H	α-helix	trans	-63.3	-40.2	175.2	-77.2	171.1	0	0	0	112	R139 L141 Q145 M146 S147	R139-L143 WeakPolarHBondContact O-CB 3.33Å; R139-L143 VanDerWaalsContact O-CG 3.24Å; R139-L143 WeakPolarHBondContact O-CG 3.47Å; R139-L143 PolarHBondContact O-N 2.97Å; L141-L143 PolarHBondContact O-N 2.91Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-M146 PolarHBondContact O-N 3.46Å; L143-S147 WeakPolarHBondContact O-CB 3.43Å; L143-S147 PolarHBondContact O-N 3.36Å
144	K	96.9	Very high	95.8	Very high	143 Å²	143	108.9 Å²	108.9	62%	0.622	54%	0.54	S	S	*	.	H	α-helix	trans	-63.5	-41.5	175.6	-170.9	174.1	-177.9	179	0	110.8	M140 L141 D142 S147 I148	M140-K144 WeakPolarHBondContact O-CB 3.49Å; M140-K144 PolarHBondContact O-N 3.29Å; L141-K144 PolarHBondContact O-N 3.48Å; D142-K144 VanDerWaalsContact C-N 3.35Å; D142-K144 PolarHBondContact O-N 2.85Å; K144-S147 WeakPolarHBondContact O-CB 3.36Å; K144-S147 PolarHBondContact O-N 3.33Å; K144-I148 HydrophobicContact CG-CD1 4.46Å; K144-I148 WeakPolarHBondContact O-CG1 3.33Å; K144-I148 PolarHBondContact O-N 3.45Å; K144-I148 VanDerWaalsContact O-N 3.09Å
145	Q	96.2	Very high	95.7	Very high	106 Å²	106	109.6 Å²	109.6	50%	0.495	54%	0.543	S	S	.	.	H	α-helix	trans	-64.5	-44.2	175.8	-172.5	60.1	33.8	0	0	111.9	L141 D142 L143 S147 I148 Q149	L141-Q145 PolarHBondContact O-N 2.98Å; D142-Q145 WeakPolarHBondContact O-CB 3.44Å; D142-Q145 PolarHBondContact O-N 3.27Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; Q145-S147 VanDerWaalsContact C-N 3.32Å; Q145-S147 PolarHBondContact O-N 3.15Å; Q145-I148 PolarHBondContact O-N 2.88Å; Q145-Q149 WeakPolarHBondContact O-CG 3.44Å; Q145-Q149 PolarHBondContact O-N 3.05Å
146	M	95.9	Very high	95.3	Very high	112 Å²	112	113.2 Å²	113.2	55%	0.552	56%	0.558	S	S	*	*	H	α-helix	trans	-62.9	-39.2	175.3	-73.4	-177	-143.7	0	0	112.1	D142 L143 I148 Q149 L150	D142-M146 HydrophobicContact CB-CE 4.39Å; D142-M146 WeakPolarHBondContact O-CG 3.32Å; D142-M146 PolarHBondContact O-N 3.06Å; L143-M146 PolarHBondContact O-N 3.46Å; M146-I148 PolarHBondContact O-N 3.02Å; M146-Q149 PolarHBondContact O-N 3.11Å; M146-L150 WeakPolarHBondContact O-CB 3.45Å; M146-L150 PolarHBondContact O-N 3.19Å
147	S	96.3	Very high	95.2	Very high	76 Å²	76	114.7 Å²	114.7	53%	0.531	57%	0.572	S	S	.	*	H	α-helix	trans	-60.3	-45.2	176.2	-177.3	0	0	0	0	111.4	L143 K144 Q145 Q149 L150 D151	L143-S147 WeakPolarHBondContact O-CB 3.43Å; L143-S147 PolarHBondContact O-N 3.36Å; K144-S147 WeakPolarHBondContact O-CB 3.36Å; K144-S147 PolarHBondContact O-N 3.33Å; Q145-S147 VanDerWaalsContact C-N 3.32Å; Q145-S147 PolarHBondContact O-N 3.15Å; S147-Q149 VanDerWaalsContact C-N 3.34Å; S147-Q149 PolarHBondContact O-N 2.89Å; S147-L150 PolarHBondContact O-N 3.32Å; S147-D151 WeakPolarHBondContact O-CB 3.49Å; S147-D151 PolarHBondContact O-N 3.22Å
148	I	96	Very high	94.9	Very high	74 Å²	74	116.3 Å²	116.3	38%	0.379	59%	0.594	S	S	.	*	H	α-helix	trans	-62.4	-41.2	175.5	-66.5	164.5	0	0	0	111.2	K144 Q145 M146 D151 Q152	K144-I148 HydrophobicContact CG-CD1 4.46Å; K144-I148 WeakPolarHBondContact O-CG1 3.33Å; K144-I148 PolarHBondContact O-N 3.45Å; K144-I148 VanDerWaalsContact O-N 3.09Å; Q145-I148 PolarHBondContact O-N 2.88Å; M146-I148 PolarHBondContact O-N 3.02Å; I148-D151 PolarHBondContact O-N 3.41Å; I148-Q152 WeakPolarHBondContact O-CG 3.33Å; I148-Q152 PolarHBondContact O-N 3.13Å
149	Q	95.4	Very high	94.6	Very high	95 Å²	95	117.8 Å²	117.8	44%	0.444	60%	0.6	S	S	.	*	H	α-helix	trans	-66	-36.8	176.6	-72.8	176.9	-11.8	0	0	112.8	Q145 M146 S147 K153	Q145-Q149 WeakPolarHBondContact O-CG 3.44Å; Q145-Q149 PolarHBondContact O-N 3.05Å; M146-Q149 PolarHBondContact O-N 3.11Å; S147-Q149 VanDerWaalsContact C-N 3.34Å; S147-Q149 PolarHBondContact O-N 2.89Å; Q149-K153 WeakPolarHBondContact O-CG 3.43Å; Q149-K153 PolarHBondContact O-N 3.29Å
150	L	95.3	Very high	94.4	Very high	109 Å²	109	115.4 Å²	115.4	57%	0.571	60%	0.599	S	S	*	*	H	α-helix	trans	-68	-45.1	176.3	-178.2	62	0	0	0	110.5	M146 S147 Q152 K153 C154	M146-L150 WeakPolarHBondContact O-CB 3.45Å; M146-L150 PolarHBondContact O-N 3.19Å; S147-L150 PolarHBondContact O-N 3.32Å; L150-Q152 VanDerWaalsContact C-N 3.29Å; L150-Q152 PolarHBondContact O-N 3.16Å; L150-K153 PolarHBondContact O-N 3.32Å; L150-C154 PolarHBondContact O-N 3.37Å; L150-C154 VanDerWaalsContact O-N 3.16Å; L150-C154 PolarHBondContact O-SG 2.92Å
151	D	95	Very high	94.1	Very high	95 Å²	95	115 Å²	115	51%	0.508	61%	0.605	S	S	.	*	H	α-helix	trans	-56.5	-44.5	176.7	-172.7	73	0	0	0	111.4	S147 I148 K153 C154 Q155	S147-D151 WeakPolarHBondContact O-CB 3.49Å; S147-D151 PolarHBondContact O-N 3.22Å; I148-D151 PolarHBondContact O-N 3.41Å; D151-K153 VanDerWaalsContact C-N 3.3Å; D151-K153 PolarHBondContact O-N 3.05Å; D151-C154 PolarHBondContact O-N 3.06Å; D151-C154 VanDerWaalsContact O-N 3.13Å; D151-Q155 WeakPolarHBondContact O-CG 3.46Å; D151-Q155 PolarHBondContact O-N 3.44Å; D151-Q155 PolarHBondContact OD2-NE2 2.9Å; D151-Q155 VanDerWaalsContact OD2-NE2 3.11Å
152	Q	93.6	Very high	93.9	Very high	127 Å²	127	112.1 Å²	112.1	59%	0.593	59%	0.592	S	S	*	*	H	α-helix	trans	-59.8	-36.2	175.2	-74.9	174.6	-12.2	0	0	113.6	I148 L150 C154	I148-Q152 WeakPolarHBondContact O-CG 3.33Å; I148-Q152 PolarHBondContact O-N 3.13Å; L150-Q152 VanDerWaalsContact C-N 3.29Å; L150-Q152 PolarHBondContact O-N 3.16Å; Q152-C154 VanDerWaalsContact C-N 3.31Å
153	K	91.5	Very high	93.7	Very high	168 Å²	168	112.8 Å²	112.8	73%	0.73	59%	0.593	S	S	*	*	H	α-helix	trans	-74.5	-22.3	178.5	-72.5	177.8	-179.5	-177.9	0	113.2	Q149 L150 D151	Q149-K153 WeakPolarHBondContact O-CG 3.43Å; Q149-K153 PolarHBondContact O-N 3.29Å; L150-K153 PolarHBondContact O-N 3.32Å; D151-K153 VanDerWaalsContact C-N 3.3Å; D151-K153 PolarHBondContact O-N 3.05Å
154	C	93.5	Very high	93.7	Very high	90 Å²	90	111 Å²	111	61%	0.608	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	10.5	-177.1	-65	0	0	0	0	113.1	L150 D151 Q152	L150-C154 PolarHBondContact O-N 3.37Å; L150-C154 VanDerWaalsContact O-N 3.16Å; L150-C154 PolarHBondContact O-SG 2.92Å; D151-C154 PolarHBondContact O-N 3.06Å; D151-C154 VanDerWaalsContact O-N 3.13Å; Q152-C154 VanDerWaalsContact C-N 3.31Å
155	Q	93.4	Very high	93.7	Very high	122 Å²	122	107 Å²	107	57%	0.57	57%	0.565	S	S	*	*	S	Bend	trans	-72	-36.3	177.5	-69.3	-63.2	-26.2	0	0	112.7	D151	D151-Q155 WeakPolarHBondContact O-CG 3.46Å; D151-Q155 PolarHBondContact O-N 3.44Å; D151-Q155 PolarHBondContact OD2-NE2 2.9Å; D151-Q155 VanDerWaalsContact OD2-NE2 3.11Å
156	D	90.2	Very high	93.7	Very high	141 Å²	141	107.9 Å²	107.9	75%	0.754	58%	0.58	S	S	*	*	S	Bend	trans	-81.6	133.4	-177.4	-67.5	-34.5	0	0	0	110.8
157	P	92.5	Very high	93.7	Very high	114 Å²	114	105.2 Å²	105.2	74%	0.74	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-67.8	167.8	173.7	31.1	-35.4	0	0	0	110.8	K159	P157-K159 PolarHBondContact O-N 3.46Å
158	C	91.8	Very high	93.8	Very high	132 Å²	132	104.6 Å²	104.6	89%	0.892	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-53.7	127.2	170	-62.1	0	0	0	0	110	D160	C158-D160 PolarHBondContact O-N 3.33Å
159	K	90.9	Very high	93.9	Very high	171 Å²	171	101.4 Å²	101.4	74%	0.743	55%	0.546	S	S	*	.			trans	-71	113.9	173.9	-174.2	179.3	177.9	-172.3	0	109	P157 E163	P157-K159 PolarHBondContact O-N 3.46Å; K159-E163 WeakPolarHBondContact CE-OE1 3.35Å; K159-E163 IonicContact NZ-OE1 2.71Å; K159-E163 PolarHBondContact NZ-OE1 3.5Å
160	D	91.8	Very high	93.9	Very high	105 Å²	105	100.9 Å²	100.9	56%	0.561	54%	0.543	S	S	*	.			trans	-65.8	133.1	172.3	-164	-11.9	0	0	0	109.9	C158 V162	C158-D160 PolarHBondContact O-N 3.33Å; D160-V162 WeakPolarHBondContact OD1-CB 3.34Å; D160-V162 PolarHBondContact OD1-N 3.09Å
161	T	91.1	Very high	94.1	Very high	128 Å²	128	96.2 Å²	96.2	79%	0.785	52%	0.518	S	S	*	.	S	Bend	trans	-76.6	-18.6	173.7	54.4	0	0	0	0	111.4	E163	T161-E163 PolarHBondContact O-N 3.44Å
162	V	92.3	Very high	94.2	Very high	60 Å²	60	91.7 Å²	91.7	36%	0.364	49%	0.494	S	S	.	.			trans	-79.7	84.1	177.8	-174.7	0	0	0	0	110.4	D160 L185 P239	D160-V162 WeakPolarHBondContact OD1-CB 3.34Å; D160-V162 PolarHBondContact OD1-N 3.09Å; V162-L185 HydrophobicContact CG1-CD1 3.61Å; V162-P239 HydrophobicContact CB-CG 4.37Å; V162-P239 HydrophobicContact CG1-CG 4Å
163	E	91.8	Very high	94.4	Very high	90 Å²	90	85.8 Å²	85.8	42%	0.421	47%	0.466	S	S	.	.			trans	-89.6	112.4	177	-66.7	-176.1	179.3	0	0	111.7	K159 T161 K165	K159-E163 WeakPolarHBondContact CE-OE1 3.35Å; K159-E163 IonicContact NZ-OE1 2.71Å; K159-E163 PolarHBondContact NZ-OE1 3.5Å; T161-E163 PolarHBondContact O-N 3.44Å; E163-K165 IonicContact OE2-NZ 2.71Å
164	I	96.5	Very high	94.7	Very high	72 Å²	72	79.2 Å²	79.2	37%	0.369	44%	0.439	S	S	.	.			trans	-78.8	130.9	170.1	-56.4	172.8	0	0	0	109.3	L185 Y187 L198	I164-L185 HydrophobicContact CG1-CB 4.33Å; I164-Y187 HydrophobicContact CD1-CE2 3.98Å; I164-Y187 HydrophobicContact CG2-CD2 3.81Å; I164-Y187 HydrophobicContact CG2-CE2 3.82Å; I164-L198 HydrophobicContact CD1-CD1 3.99Å; I164-L198 HydrophobicContact CD1-CD2 4.21Å; I164-L198 HydrophobicContact CG1-CD1 4.16Å; I164-L198 HydrophobicContact CG2-CD1 3.76Å
165	K	96.2	Very high	94.9	Very high	60 Å²	60	75 Å²	75	26%	0.261	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	141.5	-178.4	-57.5	-56.7	179.7	-165.4	0	110.9	E163 I167 L185 Y186	E163-K165 IonicContact OE2-NZ 2.71Å; K165-I167 PolarHBondContact O-N 3.24Å; K165-L185 PolarHBondContact N-O 3.05Å; K165-Y186 HydrophobicContact CB-CD1 3.53Å; K165-Y186 HydrophobicContact CB-CD2 4.45Å; K165-Y186 HydrophobicContact CB-CE1 3.24Å; K165-Y186 HydrophobicContact CB-CE2 4.21Å; K165-Y186 HydrophobicContact CB-CG 4.14Å; K165-Y186 HydrophobicContact CG-CD1 4.34Å; K165-Y186 HydrophobicContact CG-CD2 4.5Å; K165-Y186 HydrophobicContact CG-CE1 3.79Å; K165-Y186 HydrophobicContact CG-CE2 3.96Å
166	P	96.2	Very high	95.1	Very high	125 Å²	125	69.6 Å²	69.6	81%	0.812	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	-18.6	-171	30.2	-36.6	0	0	0	114.2
167	I	97.1	Very high	95.5	Very high	56 Å²	56	67.8 Å²	67.8	29%	0.287	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	133.6	-179.5	-58.4	174	0	0	0	108.7	K165 I175 K178 A180 Y186	K165-I167 PolarHBondContact O-N 3.24Å; I167-I175 HydrophobicContact CG2-CG1 4.49Å; I167-I175 HydrophobicContact CG2-CG2 4.13Å; I167-K178 HydrophobicContact CG2-CB 4.01Å; I167-K178 HydrophobicContact CG2-CD 4.38Å; I167-A180 HydrophobicContact CD1-CB 3.97Å; I167-Y186 HydrophobicContact CB-CE1 4.39Å; I167-Y186 WeakPolarHBondContact O-CD1 3.48Å
168	T	97.9	Very high	95.7	Very high	63 Å²	63	67.8 Å²	67.8	39%	0.387	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	158.4	176.1	-172.4	0	0	0	0	111.5	K178 Y187	T168-K178 WeakPolarHBondContact O-CD 3.49Å; T168-K178 PolarHBondContact O-NZ 2.77Å; T168-Y187 WeakPolarHBondContact CA-O 3.43Å; T168-Y187 WeakPolarHBondContact CB-O 3.31Å; T168-Y187 PolarHBondContact OG1-O 2.94Å
169	G	97.2	Very high	95.9	Very high	7 Å²	7	63.8 Å²	63.8	7%	0.072	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	-175.3	177.7	0	0	0	0	0	112.9	D171 D174 V188 K189	G169-D171 VanDerWaalsContact C-N 3.31Å; G169-D174 WeakPolarHBondContact CA-OD2 3.45Å; G169-V188 CarbonylContact O-C 3.59Å; G169-V188 WeakPolarHBondContact O-CA 3.39Å; G169-K189 PolarHBondContact O-N 3.37Å
170	K	97.1	Very high	96.2	Very high	84 Å²	84	56 Å²	56	37%	0.365	32%	0.315	S	S	.	.	S	Bend	trans	-71.8	-30.8	178.6	-66.1	176.3	-66.5	179.3	0	112.7	D174 L191	K170-D174 HydrophobicContact CB-CB 4.38Å; K170-D174 PolarHBondContact N-OD2 3.01Å; K170-L191 HydrophobicContact CD-CD1 4.45Å; K170-L191 HydrophobicContact CD-CD2 3.69Å; K170-L191 HydrophobicContact CD-CG 3.93Å; K170-L191 HydrophobicContact CG-CD2 4.34Å
171	D	97.6	Very high	96.4	Very high	10 Å²	10	59.9 Å²	59.9	5%	0.053	33%	0.326	C	S	.	.	S	Bend	trans	-158.1	-178.5	176.4	59.4	25.2	0	0	0	109.1	G169 Q173 D174 I175 L255 Y263	G169-D171 VanDerWaalsContact C-N 3.31Å; D171-Q173 PolarHBondContact O-N 2.9Å; D171-Q173 WeakPolarHBondContact OD1-CA 3.36Å; D171-Q173 PolarHBondContact OD1-N 3.19Å; D171-D174 PolarHBondContact O-N 3.24Å; D171-D174 WeakPolarHBondContact OD1-CB 3.49Å; D171-D174 PolarHBondContact OD1-N 3.29Å; D171-I175 WeakPolarHBondContact O-CG1 3.24Å; D171-I175 PolarHBondContact O-N 2.94Å; D171-I175 VanDerWaalsContact O-N 3.14Å; D171-L255 HydrophobicContact CB-CD2 4.17Å; D171-Y263 PolarHBondContact OD2-OH 3Å
172	C	98.2	Very high	96.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.3	-25.7	179.4	-66.3	0	0	0	0	113.4	I175 A176 C201 G209 F210 T211	C172-I175 PolarHBondContact O-N 3.25Å; C172-A176 WeakPolarHBondContact O-CB 3.29Å; C172-A176 PolarHBondContact O-N 3.31Å; C172-C201 VanDerWaalsContact CA-SG 3.54Å; C172-C201 HydrophobicContact CB-CB 3.62Å; C172-C201 WeakPolarHBondContact CB-SG 3.48Å; C172-C201 WeakPolarHBondContact SG-CA 3.12Å; C172-C201 WeakPolarHBondContact SG-CB 3.48Å; C172-C201 CovalentContact SG-SG 2.02Å; C172-C201 PolarHBondContact SG-SG 2.86Å; C172-G209 CarbonylContact C-O 3.52Å; C172-G209 WeakPolarHBondContact CB-O 3.16Å; C172-F210 WeakPolarHBondContact CB-O 3.34Å; C172-F210 PolarHBondContact SG-O 2.86Å; C172-T211 VanDerWaalsContact CB-OG1 3.25Å; C172-T211 WeakPolarHBondContact CB-OG1 3.38Å; C172-T211 PolarHBondContact N-OG1 2.82Å; C172-T211 VanDerWaalsContact SG-CA 3.59Å; C172-T211 PolarHBondContact SG-OG1 2.97Å
173	Q	97.7	Very high	96.9	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.019	31%	0.306	C	S	.	.	H	α-helix	trans	-74.5	-39.2	177.7	-175.8	58.8	68.4	0	0	111.5	D171 I175 A176 N177 G207 G209 P408 R411	D171-Q173 PolarHBondContact O-N 2.9Å; D171-Q173 WeakPolarHBondContact OD1-CA 3.36Å; D171-Q173 PolarHBondContact OD1-N 3.19Å; Q173-I175 VanDerWaalsContact C-N 3.3Å; Q173-A176 PolarHBondContact O-N 2.87Å; Q173-N177 PolarHBondContact NE2-OD1 3.21Å; Q173-N177 WeakPolarHBondContact O-CB 3.19Å; Q173-N177 PolarHBondContact O-N 3.43Å; Q173-N177 PolarHBondContact O-ND2 3.41Å; Q173-N177 PolarHBondContact O-OD1 3.02Å; Q173-G207 PolarHBondContact NE2-O 2.96Å; Q173-G209 PolarHBondContact N-O 2.85Å; Q173-P408 HydrophobicContact CB-CG 3.93Å; Q173-P408 HydrophobicContact CG-CG 4.13Å; Q173-R411 VanDerWaalsContact CD-NE 3.31Å; Q173-R411 HydrophobicContact CG-CG 3.87Å
174	D	97.4	Very high	97.2	Very high	30 Å²	30	51.6 Å²	51.6	16%	0.16	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-38.7	172.2	-172.9	51.3	0	0	0	111.1	G169 K170 D171 N177 K178	G169-D174 WeakPolarHBondContact CA-OD2 3.45Å; K170-D174 HydrophobicContact CB-CB 4.38Å; K170-D174 PolarHBondContact N-OD2 3.01Å; D171-D174 PolarHBondContact O-N 3.24Å; D171-D174 WeakPolarHBondContact OD1-CB 3.49Å; D171-D174 PolarHBondContact OD1-N 3.29Å; D174-N177 PolarHBondContact O-N 3.08Å; D174-K178 WeakPolarHBondContact O-CG 3.27Å; D174-K178 PolarHBondContact O-N 3.01Å; D174-K178 WeakPolarHBondContact OD2-CE 3.44Å; D174-K178 IonicContact OD2-NZ 3.56Å; D174-K178 PolarHBondContact OD2-NZ 2.85Å
175	I	98.4	Very high	97.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-47.2	172.2	-73.9	162.6	0	0	0	111.3	I167 D171 C172 Q173 N177 K178 A180 Y186 V188 I203	I167-I175 HydrophobicContact CG2-CG1 4.49Å; I167-I175 HydrophobicContact CG2-CG2 4.13Å; D171-I175 WeakPolarHBondContact O-CG1 3.24Å; D171-I175 PolarHBondContact O-N 2.94Å; D171-I175 VanDerWaalsContact O-N 3.14Å; C172-I175 PolarHBondContact O-N 3.25Å; Q173-I175 VanDerWaalsContact C-N 3.3Å; I175-N177 VanDerWaalsContact C-N 3.34Å; I175-N177 PolarHBondContact O-N 3.35Å; I175-K178 WeakPolarHBondContact O-CB 3.41Å; I175-K178 PolarHBondContact O-N 2.77Å; I175-K178 VanDerWaalsContact O-N 3.15Å; I175-A180 HydrophobicContact CG2-CB 3.41Å; I175-A180 VanDerWaalsContact CG2-CB 3.41Å; I175-A180 WeakPolarHBondContact O-CB 3.44Å; I175-A180 PolarHBondContact O-N 3.5Å; I175-Y186 HydrophobicContact CD1-CD1 4.16Å; I175-Y186 HydrophobicContact CD1-CG 4.07Å; I175-Y186 HydrophobicContact CG2-CD1 3.53Å; I175-Y186 HydrophobicContact CG2-CE1 3.58Å; I175-Y186 HydrophobicContact CG2-CG 4.14Å; I175-V188 HydrophobicContact CD1-CG1 3.52Å; I175-I203 HydrophobicContact CG2-CD1 4.25Å
176	A	97.8	Very high	97.4	Very high	10 Å²	10	45.6 Å²	45.6	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-41.3	176	0	0	0	0	0	111.8	C172 Q173 K178 G179 I203	C172-A176 WeakPolarHBondContact O-CB 3.29Å; C172-A176 PolarHBondContact O-N 3.31Å; Q173-A176 PolarHBondContact O-N 2.87Å; A176-K178 PolarHBondContact O-N 3.02Å; A176-G179 PolarHBondContact O-N 2.97Å; A176-I203 HydrophobicContact CB-CD1 4.31Å; A176-I203 HydrophobicContact CB-CG2 4.17Å
177	N	97.3	Very high	97.5	Very high	103 Å²	103	43.6 Å²	43.6	55%	0.551	23%	0.234	S	C	*	.	H	α-helix	trans	-62.9	-28	176.4	-66.2	-16	0	0	0	112.8	Q173 D174 I175 G179	Q173-N177 PolarHBondContact NE2-OD1 3.21Å; Q173-N177 WeakPolarHBondContact O-CB 3.19Å; Q173-N177 PolarHBondContact O-N 3.43Å; Q173-N177 PolarHBondContact O-ND2 3.41Å; Q173-N177 PolarHBondContact O-OD1 3.02Å; D174-N177 PolarHBondContact O-N 3.08Å; I175-N177 VanDerWaalsContact C-N 3.34Å; I175-N177 PolarHBondContact O-N 3.35Å; N177-G179 PolarHBondContact O-N 3.43Å
178	K	97.8	Very high	97.6	Very high	114 Å²	114	41 Å²	41	50%	0.496	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	2.9	174.4	-72.2	166.1	177.3	164.8	0	113.7	I167 T168 D174 I175 A176	I167-K178 HydrophobicContact CG2-CB 4.01Å; I167-K178 HydrophobicContact CG2-CD 4.38Å; T168-K178 WeakPolarHBondContact O-CD 3.49Å; T168-K178 PolarHBondContact O-NZ 2.77Å; D174-K178 WeakPolarHBondContact O-CG 3.27Å; D174-K178 PolarHBondContact O-N 3.01Å; D174-K178 WeakPolarHBondContact OD2-CE 3.44Å; D174-K178 IonicContact OD2-NZ 3.56Å; D174-K178 PolarHBondContact OD2-NZ 2.85Å; I175-K178 WeakPolarHBondContact O-CB 3.41Å; I175-K178 PolarHBondContact O-N 2.77Å; I175-K178 VanDerWaalsContact O-N 3.15Å; A176-K178 PolarHBondContact O-N 3.02Å
179	G	96.6	Very high	97.6	Very high	48 Å²	48	43 Å²	43	50%	0.495	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.6	8	173	0	0	0	0	0	115.1	A176 N177	A176-G179 PolarHBondContact O-N 2.97Å; N177-G179 PolarHBondContact O-N 3.43Å
180	A	97.2	Very high	97.5	Very high	8 Å²	8	42.7 Å²	42.7	7%	0.066	22%	0.221	C	C	.	.			trans	-65	134	169.3	0	0	0	0	0	110.4	I167 I175 Y186 I203	I167-A180 HydrophobicContact CD1-CB 3.97Å; I175-A180 HydrophobicContact CG2-CB 3.41Å; I175-A180 VanDerWaalsContact CG2-CB 3.41Å; I175-A180 WeakPolarHBondContact O-CB 3.44Å; I175-A180 PolarHBondContact O-N 3.5Å; A180-Y186 HydrophobicContact CB-CE1 3.98Å; A180-I203 HydrophobicContact CB-CD1 3.64Å
181	K	95.4	Very high	97.3	Very high	186 Å²	186	43.9 Å²	43.9	81%	0.809	23%	0.231	S	C	*	.			trans	-123.4	-12.2	-176.7	-64.2	-175.9	-178.4	-178.8	0	114.3
182	S	95.7	Very high	97.1	Very high	60 Å²	60	50.6 Å²	50.6	42%	0.42	26%	0.26	S	S	.	.	S	Bend	trans	-110.3	136.2	-177.3	48.1	0	0	0	0	110.9	Y186	S182-Y186 WeakPolarHBondContact O-CE2 3.46Å; S182-Y186 PolarHBondContact O-OH 3.3Å
183	S	97.8	Very high	96.9	Very high	43 Å²	43	51 Å²	51	30%	0.301	26%	0.263	S	S	.	.			trans	-62.4	153.6	166.4	-54.9	0	0	0	0	110.9	Y200 C201 I203	S183-Y200 WeakPolarHBondContact CB-OH 3.42Å; S183-C201 CarbonylContact C-O 3.52Å; S183-C201 WeakPolarHBondContact CA-O 3.43Å; S183-C201 VanDerWaalsContact CB-O 3.32Å; S183-C201 WeakPolarHBondContact CB-O 3.25Å; S183-I203 PolarHBondContact OG-N 2.77Å; S183-I203 PolarHBondContact OG-O 2.71Å
184	G	97.6	Very high	96.8	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.5	-158.8	178.4	0	0	0	0	0	113	Y186 C201	G184-Y186 VanDerWaalsContact O-CD2 3.31Å; G184-Y186 WeakPolarHBondContact O-CD2 3.4Å; G184-C201 PolarHBondContact N-O 2.62Å; G184-C201 PolarHBondContact O-N 2.82Å
185	L	98.4	Very high	96.7	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.5	-175	-54.7	-175.8	0	0	0	111.6	V162 I164 K165 L198 V199 Y200 L237 P239	V162-L185 HydrophobicContact CG1-CD1 3.61Å; I164-L185 HydrophobicContact CG1-CB 4.33Å; K165-L185 PolarHBondContact N-O 3.05Å; L185-L198 HydrophobicContact CB-CD1 4.15Å; L185-L198 HydrophobicContact CD1-CD2 4.33Å; L185-V199 WeakPolarHBondContact CA-O 3.48Å; L185-Y200 HydrophobicContact CD2-CD2 4.06Å; L185-L237 HydrophobicContact CD2-CB 3.55Å; L185-P239 HydrophobicContact CD1-CG 3.9Å; L185-P239 HydrophobicContact CG-CB 4.4Å; L185-P239 HydrophobicContact CG-CG 4.1Å
186	Y	98.6	Very high	96.7	Very high	4 Å²	4	71.1 Å²	71.1	2%	0.016	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	148.9	178.5	-65.5	-99.5	0	0	0	110.8	K165 I167 I175 A180 S182 G184 V199 C201 I203	K165-Y186 HydrophobicContact CB-CD1 3.53Å; K165-Y186 HydrophobicContact CB-CD2 4.45Å; K165-Y186 HydrophobicContact CB-CE1 3.24Å; K165-Y186 HydrophobicContact CB-CE2 4.21Å; K165-Y186 HydrophobicContact CB-CG 4.14Å; K165-Y186 HydrophobicContact CG-CD1 4.34Å; K165-Y186 HydrophobicContact CG-CD2 4.5Å; K165-Y186 HydrophobicContact CG-CE1 3.79Å; K165-Y186 HydrophobicContact CG-CE2 3.96Å; I167-Y186 HydrophobicContact CB-CE1 4.39Å; I167-Y186 WeakPolarHBondContact O-CD1 3.48Å; I175-Y186 HydrophobicContact CD1-CD1 4.16Å; I175-Y186 HydrophobicContact CD1-CG 4.07Å; I175-Y186 HydrophobicContact CG2-CD1 3.53Å; I175-Y186 HydrophobicContact CG2-CE1 3.58Å; I175-Y186 HydrophobicContact CG2-CG 4.14Å; A180-Y186 HydrophobicContact CB-CE1 3.98Å; S182-Y186 WeakPolarHBondContact O-CE2 3.46Å; S182-Y186 PolarHBondContact O-OH 3.3Å; G184-Y186 VanDerWaalsContact O-CD2 3.31Å; G184-Y186 WeakPolarHBondContact O-CD2 3.4Å; Y186-V199 PolarHBondContact N-O 3.24Å; Y186-V199 WeakPolarHBondContact O-CG2 3.27Å; Y186-V199 PolarHBondContact O-N 2.91Å; Y186-C201 HydrophobicContact CD2-CB 3.62Å; Y186-C201 HydrophobicContact CE2-CB 3.99Å; Y186-C201 HydrophobicContact CG-CB 4.48Å; Y186-I203 HydrophobicContact CE2-CD1 4.37Å
187	Y	98.6	Very high	96.7	Very high	84 Å²	84	71.8 Å²	71.8	33%	0.329	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.4	168.2	-79.6	-74.9	0	0	0	110.9	I164 T168 Q196 F197 L198	I164-Y187 HydrophobicContact CD1-CE2 3.98Å; I164-Y187 HydrophobicContact CG2-CD2 3.81Å; I164-Y187 HydrophobicContact CG2-CE2 3.82Å; T168-Y187 WeakPolarHBondContact CA-O 3.43Å; T168-Y187 WeakPolarHBondContact CB-O 3.31Å; T168-Y187 PolarHBondContact OG1-O 2.94Å; Y187-Q196 HydrophobicContact CD1-CG 3.92Å; Y187-Q196 HydrophobicContact CG-CG 4.44Å; Y187-F197 WeakPolarHBondContact CA-O 3.28Å; Y187-L198 HydrophobicContact CD1-CB 4.35Å; Y187-L198 HydrophobicContact CD1-CD1 4.29Å; Y187-L198 HydrophobicContact CD2-CD1 4.16Å; Y187-L198 HydrophobicContact CE1-CB 4.04Å; Y187-L198 HydrophobicContact CE1-CD1 4.17Å; Y187-L198 HydrophobicContact CE2-CD1 4.05Å; Y187-L198 HydrophobicContact CG-CD1 4.28Å
188	V	98.4	Very high	96.8	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.7	172.3	-64.2	0	0	0	0	111.4	G169 I175 Q196 F197 V199 L255	G169-V188 CarbonylContact O-C 3.59Å; G169-V188 WeakPolarHBondContact O-CA 3.39Å; I175-V188 HydrophobicContact CD1-CG1 3.52Å; V188-Q196 VanDerWaalsContact O-CA 3.27Å; V188-Q196 WeakPolarHBondContact O-CA 3.48Å; V188-Q196 WeakPolarHBondContact O-CB 3.46Å; V188-F197 HydrophobicContact CG2-CD2 3.88Å; V188-F197 HydrophobicContact CG2-CE2 3.51Å; V188-F197 HydrophobicContact CG2-CZ 3.93Å; V188-F197 PolarHBondContact N-O 3.49Å; V188-F197 PolarHBondContact O-N 3.14Å; V188-V199 HydrophobicContact CB-CG2 4.31Å; V188-V199 HydrophobicContact CG1-CG2 3.59Å; V188-V199 HydrophobicContact CG2-CB 4.36Å; V188-V199 HydrophobicContact CG2-CG1 3.59Å; V188-V199 HydrophobicContact CG2-CG2 3.79Å; V188-L255 HydrophobicContact CG2-CD2 4.47Å
189	K	98	Very high	96.8	Very high	105 Å²	105	63.5 Å²	63.5	46%	0.457	32%	0.315	S	S	.	.			trans	-132.9	91.7	173.4	-170.6	178.2	179.4	174.9	0	110.1	G169 A193 Q196	G169-K189 PolarHBondContact O-N 3.37Å; K189-A193 WeakPolarHBondContact CE-O 3.36Å; K189-Q196 HydrophobicContact CB-CB 4.01Å; K189-Q196 HydrophobicContact CG-CB 4.47Å
190	P	96.6	Very high	96.9	Very high	1 Å²	1	62 Å²	62	1%	0.006	30%	0.295	C	S	.	.			trans	-56.3	153.3	172.9	-24.6	33.9	0	0	0	112	K192 A193 F197 L254 L255 Q258	P190-K192 VanDerWaalsContact C-N 3.28Å; P190-K192 PolarHBondContact O-N 3.35Å; P190-K192 VanDerWaalsContact O-N 3.12Å; P190-A193 HydrophobicContact CB-CB 4.14Å; P190-A193 HydrophobicContact CG-CB 4.32Å; P190-A193 VanDerWaalsContact O-CB 3.28Å; P190-A193 WeakPolarHBondContact O-CB 3.33Å; P190-A193 PolarHBondContact O-N 3.38Å; P190-F197 HydrophobicContact CG-CE1 3.87Å; P190-F197 HydrophobicContact CG-CZ 3.78Å; P190-L254 HydrophobicContact CB-CB 4.27Å; P190-L254 HydrophobicContact CG-CB 4.29Å; P190-L255 HydrophobicContact CG-CD2 3.8Å; P190-L255 HydrophobicContact CG-CG 4.1Å; P190-Q258 HydrophobicContact CB-CB 4.24Å
191	L	92.9	Very high	97	Very high	110 Å²	110	61.6 Å²	61.6	58%	0.576	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-36.2	-169.6	-70.3	174	0	0	0	115.2	K170 Q258	K170-L191 HydrophobicContact CD-CD1 4.45Å; K170-L191 HydrophobicContact CD-CD2 3.69Å; K170-L191 HydrophobicContact CD-CG 3.93Å; K170-L191 HydrophobicContact CG-CD2 4.34Å; L191-Q258 HydrophobicContact CB-CB 4.36Å; L191-Q258 WeakPolarHBondContact CD1-O 3.3Å
192	K	92.6	Very high	97.1	Very high	150 Å²	150	55.1 Å²	55.1	65%	0.652	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-2	179.9	-64.5	178.8	-178.4	170.1	0	113.2	P190 L254	P190-K192 VanDerWaalsContact C-N 3.28Å; P190-K192 PolarHBondContact O-N 3.35Å; P190-K192 VanDerWaalsContact O-N 3.12Å; K192-L254 HydrophobicContact CB-CD2 4.37Å
193	A	94.6	Very high	97.1	Very high	9 Å²	9	52.8 Å²	52.8	7%	0.074	25%	0.247	C	C	.	.			trans	-75.8	133.4	-179.4	0	0	0	0	0	110.6	K189 P190 L254	K189-A193 WeakPolarHBondContact CE-O 3.36Å; P190-A193 HydrophobicContact CB-CB 4.14Å; P190-A193 HydrophobicContact CG-CB 4.32Å; P190-A193 VanDerWaalsContact O-CB 3.28Å; P190-A193 WeakPolarHBondContact O-CB 3.33Å; P190-A193 PolarHBondContact O-N 3.38Å; A193-L254 HydrophobicContact CB-CD1 4.02Å
194	K	94.7	Very high	97	Very high	197 Å²	197	52.7 Å²	52.7	86%	0.857	24%	0.243	S	C	*	.	S	Bend	trans	-69	-46.4	175.7	-66.3	-179.8	-179.3	175.7	0	110.8
195	E	95.9	Very high	96.7	Very high	159 Å²	159	58 Å²	58	74%	0.743	28%	0.28	S	S	*	.	S	Bend	trans	-117.6	155.3	-177.1	-63.5	-177.8	-179.8	0	0	111
196	Q	97.7	Very high	96.4	Very high	101 Å²	101	65.5 Å²	65.5	47%	0.472	31%	0.313	S	S	.	.			trans	-80.8	153.3	170.7	69.5	-179.6	8.7	0	0	110	Y187 V188 K189	Y187-Q196 HydrophobicContact CD1-CG 3.92Å; Y187-Q196 HydrophobicContact CG-CG 4.44Å; V188-Q196 VanDerWaalsContact O-CA 3.27Å; V188-Q196 WeakPolarHBondContact O-CA 3.48Å; V188-Q196 WeakPolarHBondContact O-CB 3.46Å; K189-Q196 HydrophobicContact CB-CB 4.01Å; K189-Q196 HydrophobicContact CG-CB 4.47Å
197	F	98.4	Very high	96.2	Very high	23 Å²	23	66.3 Å²	66.3	10%	0.101	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.8	175.9	54	-95.3	0	0	0	111.3	Y187 V188 P190 V199 K251 L255	Y187-F197 WeakPolarHBondContact CA-O 3.28Å; V188-F197 HydrophobicContact CG2-CD2 3.88Å; V188-F197 HydrophobicContact CG2-CE2 3.51Å; V188-F197 HydrophobicContact CG2-CZ 3.93Å; V188-F197 PolarHBondContact N-O 3.49Å; V188-F197 PolarHBondContact O-N 3.14Å; P190-F197 HydrophobicContact CG-CE1 3.87Å; P190-F197 HydrophobicContact CG-CZ 3.78Å; F197-V199 HydrophobicContact CD2-CG1 3.72Å; F197-V199 HydrophobicContact CE2-CG1 3.6Å; F197-K251 HydrophobicContact CB-CD 4.16Å; F197-K251 HydrophobicContact CD1-CD 4.35Å; F197-K251 HydrophobicContact CD1-CG 4.09Å; F197-K251 HydrophobicContact CD2-CB 4.32Å; F197-K251 HydrophobicContact CD2-CD 3.63Å; F197-K251 HydrophobicContact CD2-CG 4.03Å; F197-K251 HydrophobicContact CE1-CB 4.28Å; F197-K251 HydrophobicContact CE1-CG 4.1Å; F197-K251 HydrophobicContact CE2-CB 3.83Å; F197-K251 HydrophobicContact CE2-CD 4.03Å; F197-K251 HydrophobicContact CE2-CG 4.03Å; F197-K251 HydrophobicContact CG-CD 3.79Å; F197-K251 HydrophobicContact CG-CG 4.04Å; F197-K251 HydrophobicContact CZ-CB 3.81Å; F197-K251 HydrophobicContact CZ-CG 4.06Å; F197-L255 HydrophobicContact CE2-CD1 4.16Å; F197-L255 HydrophobicContact CE2-CG 4.49Å; F197-L255 HydrophobicContact CZ-CD1 4.19Å; F197-L255 HydrophobicContact CZ-CD2 4.42Å; F197-L255 HydrophobicContact CZ-CG 4.06Å
198	L	98.4	Very high	96.1	Very high	44 Å²	44	64.8 Å²	64.8	23%	0.23	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	138	-179.1	-164.3	67.7	0	0	0	110.1	I164 L185 Y187 L237	I164-L198 HydrophobicContact CD1-CD1 3.99Å; I164-L198 HydrophobicContact CD1-CD2 4.21Å; I164-L198 HydrophobicContact CG1-CD1 4.16Å; I164-L198 HydrophobicContact CG2-CD1 3.76Å; L185-L198 HydrophobicContact CB-CD1 4.15Å; L185-L198 HydrophobicContact CD1-CD2 4.33Å; Y187-L198 HydrophobicContact CD1-CB 4.35Å; Y187-L198 HydrophobicContact CD1-CD1 4.29Å; Y187-L198 HydrophobicContact CD2-CD1 4.16Å; Y187-L198 HydrophobicContact CE1-CB 4.04Å; Y187-L198 HydrophobicContact CE1-CD1 4.17Å; Y187-L198 HydrophobicContact CE2-CD1 4.05Å; Y187-L198 HydrophobicContact CG-CD1 4.28Å; L198-L237 HydrophobicContact CB-CD1 4.08Å; L198-L237 HydrophobicContact CD2-CD1 4.1Å; L198-L237 HydrophobicContact CG-CD1 3.9Å; L198-L237 WeakPolarHBondContact O-CD1 3.27Å
199	V	98.6	Very high	96.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	156.9	174.2	-64.9	0	0	0	0	110.3	L185 Y186 V188 F197 T211 L247	L185-V199 WeakPolarHBondContact CA-O 3.48Å; Y186-V199 PolarHBondContact N-O 3.24Å; Y186-V199 WeakPolarHBondContact O-CG2 3.27Å; Y186-V199 PolarHBondContact O-N 2.91Å; V188-V199 HydrophobicContact CB-CG2 4.31Å; V188-V199 HydrophobicContact CG1-CG2 3.59Å; V188-V199 HydrophobicContact CG2-CB 4.36Å; V188-V199 HydrophobicContact CG2-CG1 3.59Å; V188-V199 HydrophobicContact CG2-CG2 3.79Å; F197-V199 HydrophobicContact CD2-CG1 3.72Å; F197-V199 HydrophobicContact CE2-CG1 3.6Å; V199-T211 HydrophobicContact CB-CG2 4.08Å; V199-T211 HydrophobicContact CG1-CG2 4.02Å; V199-T211 HydrophobicContact CG2-CG2 4.33Å; V199-L247 HydrophobicContact CG1-CD1 3.92Å; V199-L247 HydrophobicContact CG1-CD2 4.14Å
200	Y	98.6	Very high	96.1	Very high	16 Å²	16	60 Å²	60	6%	0.063	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.5	163.2	-176.5	-89.8	0	0	0	109.6	S183 L185 E202 V212 S238 D241	S183-Y200 WeakPolarHBondContact CB-OH 3.42Å; L185-Y200 HydrophobicContact CD2-CD2 4.06Å; Y200-E202 HydrophobicContact CE1-CB 4.17Å; Y200-V212 HydrophobicContact CD1-CB 4.16Å; Y200-V212 HydrophobicContact CD1-CG2 3.66Å; Y200-V212 HydrophobicContact CE1-CG2 4.28Å; Y200-V212 PolarHBondContact O-N 3.08Å; Y200-V212 VanDerWaalsContact O-N 3.11Å; Y200-S238 VanDerWaalsContact CD2-O 3.26Å; Y200-S238 WeakPolarHBondContact CD2-O 3.43Å; Y200-S238 WeakPolarHBondContact CE2-O 3.49Å; Y200-D241 HydrophobicContact CE1-CB 4.32Å; Y200-D241 HydrophobicContact CE2-CB 3.92Å; Y200-D241 WeakPolarHBondContact OH-CB 3.36Å
201	C	98.6	Very high	96.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.5	173.2	-63.8	0	0	0	0	110.3	C172 S183 G184 Y186 I203 F210	C172-C201 VanDerWaalsContact CA-SG 3.54Å; C172-C201 HydrophobicContact CB-CB 3.62Å; C172-C201 WeakPolarHBondContact CB-SG 3.48Å; C172-C201 WeakPolarHBondContact SG-CA 3.12Å; C172-C201 WeakPolarHBondContact SG-CB 3.48Å; C172-C201 CovalentContact SG-SG 2.02Å; C172-C201 PolarHBondContact SG-SG 2.86Å; S183-C201 CarbonylContact C-O 3.52Å; S183-C201 WeakPolarHBondContact CA-O 3.43Å; S183-C201 VanDerWaalsContact CB-O 3.32Å; S183-C201 WeakPolarHBondContact CB-O 3.25Å; G184-C201 PolarHBondContact N-O 2.62Å; G184-C201 PolarHBondContact O-N 2.82Å; Y186-C201 HydrophobicContact CD2-CB 3.62Å; Y186-C201 HydrophobicContact CE2-CB 3.99Å; Y186-C201 HydrophobicContact CG-CB 4.48Å; C201-I203 HydrophobicContact CB-CG1 4.24Å; C201-F210 WeakPolarHBondContact CA-O 3.41Å
202	E	98.2	Very high	96.4	Very high	50 Å²	50	54.9 Å²	54.9	23%	0.234	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	110.4	168	-170.1	-173.1	125.9	0	0	108.1	Y200 G209 F210 K405	Y200-E202 HydrophobicContact CE1-CB 4.17Å; E202-G209 CarbonylContact O-C 3.37Å; E202-G209 WeakPolarHBondContact O-CA 3.02Å; E202-F210 HydrophobicContact CB-CB 4.29Å; E202-F210 PolarHBondContact N-O 2.93Å; E202-F210 PolarHBondContact O-N 3.39Å; E202-K405 IonicContact OE1-NZ 2.85Å; E202-K405 PolarHBondContact OE1-NZ 2.88Å; E202-K405 IonicContact OE2-NZ 3.2Å; E202-K405 PolarHBondContact OE2-NZ 2.88Å
203	I	96.9	Very high	96.7	Very high	11 Å²	11	47.7 Å²	47.7	6%	0.056	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.4	-177.7	-55.6	-179.5	0	0	0	108.5	I175 A176 A180 S183 Y186 C201 R208	I175-I203 HydrophobicContact CG2-CD1 4.25Å; A176-I203 HydrophobicContact CB-CD1 4.31Å; A176-I203 HydrophobicContact CB-CG2 4.17Å; A180-I203 HydrophobicContact CB-CD1 3.64Å; S183-I203 PolarHBondContact OG-N 2.77Å; S183-I203 PolarHBondContact OG-O 2.71Å; Y186-I203 HydrophobicContact CE2-CD1 4.37Å; C201-I203 HydrophobicContact CB-CG1 4.24Å; I203-R208 WeakPolarHBondContact CA-O 3.49Å
204	D	94.1	Very high	96.9	Very high	40 Å²	40	47.3 Å²	47.3	21%	0.214	23%	0.234	C	C	.	.			trans	-88.7	173.4	177.6	76.6	8	0	0	0	113.1	F206 G207 R208	D204-F206 PolarHBondContact O-N 3.45Å; D204-F206 VanDerWaalsContact OD1-C 3.32Å; D204-F206 WeakPolarHBondContact OD1-CA 3.01Å; D204-F206 WeakPolarHBondContact OD1-CB 3.34Å; D204-F206 PolarHBondContact OD1-N 3Å; D204-G207 PolarHBondContact O-N 3.05Å; D204-G207 PolarHBondContact OD1-N 3.21Å; D204-R208 PolarHBondContact N-O 3.07Å; D204-R208 VanDerWaalsContact N-O 3.08Å; D204-R208 WeakPolarHBondContact OD1-CB 3.43Å; D204-R208 PolarHBondContact OD1-N 3.2Å; D204-R208 IonicContact OD2-CZ 3.89Å; D204-R208 IonicContact OD2-NE 3.69Å; D204-R208 PolarHBondContact OD2-NE 3.49Å; D204-R208 IonicContact OD2-NH2 3.22Å; D204-R208 PolarHBondContact OD2-NH2 3.33Å
205	S	92.4	Very high	97.1	Very high	114 Å²	114	38.2 Å²	38.2	80%	0.797	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.5	178.4	53.1	0	0	0	0	114	G207	S205-G207 VanDerWaalsContact C-N 3.33Å
206	F	92.1	Very high	97.2	Very high	157 Å²	157	30.8 Å²	30.8	69%	0.689	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	2.4	177	-54.9	-74.6	0	0	0	112.3	D204 R208	D204-F206 PolarHBondContact O-N 3.45Å; D204-F206 VanDerWaalsContact OD1-C 3.32Å; D204-F206 WeakPolarHBondContact OD1-CA 3.01Å; D204-F206 WeakPolarHBondContact OD1-CB 3.34Å; D204-F206 PolarHBondContact OD1-N 3Å; F206-R208 VanDerWaalsContact C-N 3.31Å
207	G	93.8	Very high	97.1	Very high	22 Å²	22	29.1 Å²	29.1	23%	0.227	15%	0.149	C	C	.	.			trans	70.9	25.7	-178.5	0	0	0	0	0	113	Q173 D204 S205 R411	Q173-G207 PolarHBondContact NE2-O 2.96Å; D204-G207 PolarHBondContact O-N 3.05Å; D204-G207 PolarHBondContact OD1-N 3.21Å; S205-G207 VanDerWaalsContact C-N 3.33Å; G207-R411 PolarHBondContact O-NH2 2.9Å
208	R	96.3	Very high	97	Very high	51 Å²	51	31 Å²	31	19%	0.192	16%	0.16	C	C	.	.			trans	-82.5	120.4	166.3	-64.2	-176.9	-64.6	-173.1	1.6	107.8	I203 D204 F206 F210 I407	I203-R208 WeakPolarHBondContact CA-O 3.49Å; D204-R208 PolarHBondContact N-O 3.07Å; D204-R208 VanDerWaalsContact N-O 3.08Å; D204-R208 WeakPolarHBondContact OD1-CB 3.43Å; D204-R208 PolarHBondContact OD1-N 3.2Å; D204-R208 IonicContact OD2-CZ 3.89Å; D204-R208 IonicContact OD2-NE 3.69Å; D204-R208 PolarHBondContact OD2-NE 3.49Å; D204-R208 IonicContact OD2-NH2 3.22Å; D204-R208 PolarHBondContact OD2-NH2 3.33Å; F206-R208 VanDerWaalsContact C-N 3.31Å; R208-F210 HydrophobicContact CB-CE2 4.18Å; R208-I407 HydrophobicContact CB-CD1 3.72Å; R208-I407 HydrophobicContact CG-CD1 4.24Å
209	G	97.6	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	97.6	-177.9	0	0	0	0	0	110.8	C172 Q173 E202	C172-G209 CarbonylContact C-O 3.52Å; C172-G209 WeakPolarHBondContact CB-O 3.16Å; Q173-G209 PolarHBondContact N-O 2.85Å; E202-G209 CarbonylContact O-C 3.37Å; E202-G209 WeakPolarHBondContact O-CA 3.02Å
210	F	98.4	Very high	96.8	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	137.7	175.5	-71.2	-94.7	0	0	0	110.7	C172 C201 E202 R208 R266 K405 I406 I407 I412	C172-F210 WeakPolarHBondContact CB-O 3.34Å; C172-F210 PolarHBondContact SG-O 2.86Å; C201-F210 WeakPolarHBondContact CA-O 3.41Å; E202-F210 HydrophobicContact CB-CB 4.29Å; E202-F210 PolarHBondContact N-O 2.93Å; E202-F210 PolarHBondContact O-N 3.39Å; R208-F210 HydrophobicContact CB-CE2 4.18Å; F210-R266 HydrophobicContact CE1-CB 4.35Å; F210-K405 HydrophobicContact CB-CB 4.2Å; F210-K405 HydrophobicContact CB-CD 3.87Å; F210-K405 HydrophobicContact CB-CG 4.17Å; F210-K405 HydrophobicContact CD1-CB 4.35Å; F210-K405 HydrophobicContact CD1-CD 3.94Å; F210-K405 HydrophobicContact CD1-CG 3.72Å; F210-K405 HydrophobicContact CE1-CG 4.46Å; F210-K405 HydrophobicContact CG-CD 3.95Å; F210-K405 HydrophobicContact CG-CG 4.2Å; F210-I406 WeakPolarHBondContact CA-O 3.09Å; F210-I407 HydrophobicContact CD1-CB 3.68Å; F210-I407 HydrophobicContact CD1-CD1 4.4Å; F210-I407 HydrophobicContact CD1-CG2 3.89Å; F210-I407 HydrophobicContact CD2-CD1 4.16Å; F210-I407 HydrophobicContact CE1-CB 3.72Å; F210-I407 HydrophobicContact CE1-CD1 4.19Å; F210-I407 HydrophobicContact CE1-CG2 3.4Å; F210-I407 VanDerWaalsContact CE1-CG2 3.4Å; F210-I407 HydrophobicContact CE2-CD1 3.92Å; F210-I407 HydrophobicContact CG-CB 4.28Å; F210-I407 HydrophobicContact CG-CD1 4.39Å; F210-I407 HydrophobicContact CZ-CB 4.33Å; F210-I407 HydrophobicContact CZ-CD1 3.94Å; F210-I407 HydrophobicContact CZ-CG2 3.97Å; F210-I412 HydrophobicContact CE1-CD1 4.45Å
211	T	98.6	Very high	96.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.5	167.9	-55.9	0	0	0	0	108.9	C172 V199 L213 L255 K405 I406	C172-T211 VanDerWaalsContact CB-OG1 3.25Å; C172-T211 WeakPolarHBondContact CB-OG1 3.38Å; C172-T211 PolarHBondContact N-OG1 2.82Å; C172-T211 VanDerWaalsContact SG-CA 3.59Å; C172-T211 PolarHBondContact SG-OG1 2.97Å; V199-T211 HydrophobicContact CB-CG2 4.08Å; V199-T211 HydrophobicContact CG1-CG2 4.02Å; V199-T211 HydrophobicContact CG2-CG2 4.33Å; T211-L213 HydrophobicContact CG2-CD2 4.36Å; T211-L255 HydrophobicContact CG2-CD1 3.94Å; T211-K405 CarbonylContact O-C 3.56Å; T211-K405 VanDerWaalsContact O-CA 3.27Å; T211-K405 WeakPolarHBondContact O-CA 3.47Å; T211-I406 PolarHBondContact N-O 3.12Å; T211-I406 PolarHBondContact O-N 2.8Å
212	V	98.8	Very high	96.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	127.3	178.8	-176.9	0	0	0	0	109.8	Y200 Q214 F245 T403 K405	Y200-V212 HydrophobicContact CD1-CB 4.16Å; Y200-V212 HydrophobicContact CD1-CG2 3.66Å; Y200-V212 HydrophobicContact CE1-CG2 4.28Å; Y200-V212 PolarHBondContact O-N 3.08Å; Y200-V212 VanDerWaalsContact O-N 3.11Å; V212-Q214 WeakPolarHBondContact CG1-O 3.32Å; V212-F245 HydrophobicContact CB-CZ 3.98Å; V212-F245 HydrophobicContact CG1-CE1 4.3Å; V212-F245 HydrophobicContact CG1-CE2 4.25Å; V212-F245 HydrophobicContact CG1-CZ 3.53Å; V212-T403 HydrophobicContact CG1-CG2 3.85Å; V212-T403 HydrophobicContact CG2-CG2 4.37Å; V212-K405 HydrophobicContact CB-CB 4.47Å; V212-K405 HydrophobicContact CG2-CB 4.05Å
213	L	98.9	Very high	96.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-34.9	-176.7	-57	-169.4	0	0	0	112	T211 L247 M252 L255 F284 M404 I406	T211-L213 HydrophobicContact CG2-CD2 4.36Å; L213-L247 HydrophobicContact CD2-CD2 3.75Å; L213-L247 WeakPolarHBondContact O-CB 3.36Å; L213-L247 PolarHBondContact O-N 2.6Å; L213-M252 HydrophobicContact CB-CE 3.79Å; L213-M252 HydrophobicContact CB-CG 4.36Å; L213-M252 HydrophobicContact CB-SD 4.12Å; L213-M252 HydrophobicContact CD1-CG 4.12Å; L213-M252 HydrophobicContact CD1-SD 4.11Å; L213-M252 HydrophobicContact CD2-CG 4.11Å; L213-M252 HydrophobicContact CG-CG 4.44Å; L213-M252 VanDerWaalsContact O-CE 3.23Å; L213-M252 WeakPolarHBondContact O-CE 3.32Å; L213-L255 HydrophobicContact CD2-CD1 4.14Å; L213-F284 HydrophobicContact CD1-CE1 3.93Å; L213-F284 HydrophobicContact CD1-CZ 4.25Å; L213-M404 HydrophobicContact CB-CB 4.28Å; L213-M404 PolarHBondContact N-O 2.54Å; L213-I406 HydrophobicContact CD1-CB 4.44Å; L213-I406 HydrophobicContact CD1-CD1 4.26Å; L213-I406 HydrophobicContact CD1-CG1 4.18Å; L213-I406 HydrophobicContact CD1-CG2 3.55Å; L213-I406 HydrophobicContact CD2-CD1 3.96Å; L213-I406 HydrophobicContact CD2-CG1 3.93Å; L213-I406 HydrophobicContact CG-CD1 4.5Å; L213-I406 HydrophobicContact CG-CG1 4.15Å; L213-I406 HydrophobicContact CG-CG2 4.25Å
214	Q	98.8	Very high	96.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	145	-179.4	-175.2	-95	40.3	0	0	109.4	V212 F223 F245 W246 L363 N364 T402 T403 M404	V212-Q214 WeakPolarHBondContact CG1-O 3.32Å; Q214-F223 HydrophobicContact CG-CE1 4.23Å; Q214-F245 WeakPolarHBondContact CA-O 3.15Å; Q214-W246 HydrophobicContact CB-CE3 3.7Å; Q214-W246 HydrophobicContact CB-CZ3 3.79Å; Q214-W246 HydrophobicContact CG-CE3 3.52Å; Q214-W246 HydrophobicContact CG-CZ3 3.77Å; Q214-L363 PolarHBondContact NE2-O 2.81Å; Q214-N364 PolarHBondContact NE2-OD1 2.81Å; Q214-N364 VanDerWaalsContact NE2-OD1 3.12Å; Q214-T402 PolarHBondContact NE2-OG1 3.27Å; Q214-T402 PolarHBondContact OE1-O 3.03Å; Q214-T402 PolarHBondContact OE1-OG1 3.06Å; Q214-T403 WeakPolarHBondContact O-CA 3.33Å; Q214-M404 HydrophobicContact CB-CB 3.9Å; Q214-M404 HydrophobicContact CB-CG 3.97Å; Q214-M404 HydrophobicContact CB-SD 3.94Å; Q214-M404 HydrophobicContact CG-SD 4.41Å; Q214-M404 PolarHBondContact N-O 2.92Å; Q214-M404 PolarHBondContact O-N 2.99Å
215	R	98.4	Very high	96.9	Very high	6 Å²	6	42.4 Å²	42.4	2%	0.023	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	132.7	173.1	-170	67.4	68.1	134.3	9	111.4	R217 D241 T243 E244 F245 T402 T403	R215-R217 HydrophobicContact CG-CG 3.92Å; R215-D241 IonicContact CZ-OD1 2.95Å; R215-D241 IonicContact CZ-OD2 2.77Å; R215-D241 IonicContact NE-OD1 3.84Å; R215-D241 PolarHBondContact NE-OD1 3.03Å; R215-D241 IonicContact NH1-OD1 3.16Å; R215-D241 PolarHBondContact NH1-OD1 2.75Å; R215-D241 IonicContact NH1-OD2 2.93Å; R215-D241 PolarHBondContact NH1-OD2 2.98Å; R215-D241 IonicContact NH2-OD1 3.39Å; R215-D241 PolarHBondContact NH2-OD1 2.94Å; R215-D241 IonicContact NH2-OD2 3.87Å; R215-D241 PolarHBondContact NH2-OD2 3.13Å; R215-T243 VanDerWaalsContact CG-O 3.31Å; R215-T243 WeakPolarHBondContact CG-O 3.44Å; R215-E244 VanDerWaalsContact O-CA 3.3Å; R215-E244 WeakPolarHBondContact O-CA 3.42Å; R215-E244 WeakPolarHBondContact O-CB 3.48Å; R215-F245 HydrophobicContact CB-CD1 3.76Å; R215-F245 HydrophobicContact CB-CE1 3.58Å; R215-F245 HydrophobicContact CB-CZ 4.26Å; R215-F245 HydrophobicContact CG-CE1 4.46Å; R215-F245 PolarHBondContact N-O 3.43Å; R215-F245 PolarHBondContact O-N 3.36Å; R215-F245 VanDerWaalsContact O-N 3.12Å; R215-T402 WeakPolarHBondContact CA-O 3.31Å; R215-T403 VanDerWaalsContact CD-OG1 3.25Å; R215-T403 WeakPolarHBondContact CD-OG1 3.4Å; R215-T403 VanDerWaalsContact CZ-OG1 3.31Å; R215-T403 PolarHBondContact NE-OG1 3.09Å; R215-T403 PolarHBondContact NH1-OG1 3.04Å
216	R	98.4	Very high	97.2	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.015	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.8	168.2	-52.2	-65.3	-64.8	-82.8	10.1	109.7	F223 E244 L363 G365 I387 E401 T402	R216-F223 HydrophobicContact CG-CZ 4.45Å; R216-F223 VanDerWaalsContact NE-CE2 3.3Å; R216-E244 WeakPolarHBondContact CA-OE1 3.49Å; R216-E244 IonicContact NE-OE1 2.92Å; R216-E244 IonicContact NE-OE2 3.62Å; R216-L363 PolarHBondContact NH1-O 3.49Å; R216-G365 VanDerWaalsContact CZ-O 3.31Å; R216-G365 PolarHBondContact NH1-O 3.27Å; R216-G365 PolarHBondContact NH2-O 2.95Å; R216-I387 HydrophobicContact CB-CD1 4.16Å; R216-I387 HydrophobicContact CG-CD1 4.22Å; R216-I387 VanDerWaalsContact CZ-CD1 3.48Å; R216-E401 CarbonylContact O-C 3.56Å; R216-E401 WeakPolarHBondContact O-CA 3.32Å; R216-T402 VanDerWaalsContact CB-OG1 3.31Å; R216-T402 WeakPolarHBondContact CB-OG1 3.07Å; R216-T402 WeakPolarHBondContact CG-OG1 3.42Å; R216-T402 PolarHBondContact N-O 3.19Å; R216-T402 PolarHBondContact O-N 3.11Å
217	R	95.6	Very high	97.6	Very high	66 Å²	66	32.7 Å²	32.7	25%	0.249	18%	0.175	C	C	.	.	S	Bend	trans	-152.9	-26.4	179.8	-45.1	-166.9	94.4	158.3	9.7	115.4	R215 D241 E244 Y367 E401	R215-R217 HydrophobicContact CG-CG 3.92Å; R217-D241 IonicContact CZ-OD2 3.34Å; R217-D241 PolarHBondContact NH1-O 2.92Å; R217-D241 IonicContact NH1-OD2 2.71Å; R217-D241 PolarHBondContact NH1-OD2 3.15Å; R217-E244 PolarHBondContact N-OE1 2.74Å; R217-Y367 PolarHBondContact O-OH 3.35Å; R217-E401 HydrophobicContact CB-CG 4.26Å; R217-E401 IonicContact CZ-OE2 3.04Å; R217-E401 IonicContact NE-OE2 2.67Å; R217-E401 PolarHBondContact NE-OE2 3.16Å; R217-E401 VanDerWaalsContact NE-OE2 3.08Å; R217-E401 IonicContact NH2-OE2 3.08Å; R217-E401 PolarHBondContact NH2-OE2 3.43Å
218	D	94.9	Very high	97.8	Very high	62 Å²	62	36.1 Å²	36.1	33%	0.332	19%	0.188	S	C	.	.	S	Bend	trans	-139.8	-13.2	-168.2	64.5	10	0	0	0	114.7	N220 E244	D218-N220 VanDerWaalsContact C-N 3.31Å; D218-N220 WeakPolarHBondContact OD1-CB 3.45Å; D218-N220 PolarHBondContact OD1-N 3.12Å; D218-N220 PolarHBondContact OD2-ND2 2.85Å; D218-E244 PolarHBondContact N-OE1 2.79Å; D218-E244 VanDerWaalsContact OD1-CG 3.28Å; D218-E244 WeakPolarHBondContact OD1-CG 3.43Å
219	G	96	Very high	97.9	Very high	30 Å²	30	37.3 Å²	37.3	31%	0.309	20%	0.195	S	C	.	.	S	Bend	trans	75.1	14.4	-178.3	0	0	0	0	0	114.8	V221 E244	G219-V221 VanDerWaalsContact C-N 3.35Å; G219-E244 WeakPolarHBondContact CA-OE2 3.49Å; G219-E244 VanDerWaalsContact N-CD 3.3Å; G219-E244 PolarHBondContact N-OE1 3.04Å; G219-E244 PolarHBondContact N-OE2 2.67Å
220	N	96.6	Very high	98	Very high	132 Å²	132	37.3 Å²	37.3	71%	0.706	20%	0.195	S	C	*	.			trans	-74.8	-24	-179.5	-78.3	-33.5	0	0	0	113.2	D218 E244	D218-N220 VanDerWaalsContact C-N 3.31Å; D218-N220 WeakPolarHBondContact OD1-CB 3.45Å; D218-N220 PolarHBondContact OD1-N 3.12Å; D218-N220 PolarHBondContact OD2-ND2 2.85Å; N220-E244 PolarHBondContact N-OE2 3.23Å
221	V	97.9	Very high	98	Very high	22 Å²	22	38.9 Å²	38.9	13%	0.133	20%	0.202	C	C	.	.	S	Bend	trans	-99	128.7	177.3	176.7	0	0	0	0	109.4	G219 F223 F234 E244	G219-V221 VanDerWaalsContact C-N 3.35Å; V221-F223 HydrophobicContact CB-CD2 4.48Å; V221-F223 HydrophobicContact CB-CE2 4.03Å; V221-F223 HydrophobicContact CG1-CD2 4.21Å; V221-F223 HydrophobicContact CG1-CE2 3.89Å; V221-F223 WeakPolarHBondContact O-CD2 3.42Å; V221-F234 HydrophobicContact CG1-CD2 3.79Å; V221-F234 HydrophobicContact CG1-CE2 4.04Å; V221-E244 HydrophobicContact CB-CB 3.83Å; V221-E244 HydrophobicContact CG2-CB 3.79Å; V221-E244 WeakPolarHBondContact CG2-O 3.27Å; V221-E244 PolarHBondContact N-OE2 2.94Å; V221-E244 VanDerWaalsContact N-OE2 3.08Å
222	D	97.6	Very high	98	Very high	90 Å²	90	43.4 Å²	43.4	48%	0.481	22%	0.223	S	C	.	.			trans	-78	121.1	173.9	170.8	34	0	0	0	110.6	N224 K225	D222-N224 WeakPolarHBondContact OD1-CB 3.41Å; D222-N224 PolarHBondContact OD1-N 3.25Å; D222-K225 WeakPolarHBondContact O-CE 3.49Å; D222-K225 WeakPolarHBondContact O-CG 3.34Å; D222-K225 PolarHBondContact O-NZ 3.49Å; D222-K225 IonicContact OD2-NZ 2.68Å; D222-K225 PolarHBondContact OD2-NZ 2.02Å
223	F	98.4	Very high	98	Very high	5 Å²	5	44.5 Å²	44.5	2%	0.022	23%	0.234	C	C	.	.			trans	-94.2	0.5	178.3	-81.8	-110	0	0	0	112.9	Q214 R216 V221 K225 Y230 F234 E244 W246 N364	Q214-F223 HydrophobicContact CG-CE1 4.23Å; R216-F223 HydrophobicContact CG-CZ 4.45Å; R216-F223 VanDerWaalsContact NE-CE2 3.3Å; V221-F223 HydrophobicContact CB-CD2 4.48Å; V221-F223 HydrophobicContact CB-CE2 4.03Å; V221-F223 HydrophobicContact CG1-CD2 4.21Å; V221-F223 HydrophobicContact CG1-CE2 3.89Å; V221-F223 WeakPolarHBondContact O-CD2 3.42Å; F223-K225 VanDerWaalsContact C-N 3.28Å; F223-K225 PolarHBondContact O-N 3.06Å; F223-Y230 WeakPolarHBondContact O-CE2 3.33Å; F223-Y230 PolarHBondContact O-OH 2.74Å; F223-F234 HydrophobicContact CB-CZ 4.47Å; F223-F234 AromaticContact CD1-CE2 3.74Å; F223-F234 HydrophobicContact CD1-CE2 3.74Å; F223-F234 AromaticContact CD1-CZ 3.64Å; F223-F234 HydrophobicContact CD1-CZ 3.64Å; F223-F234 HydrophobicContact CD2-CE2 4.06Å; F223-F234 AromaticContact CE1-CE2 3.83Å; F223-F234 HydrophobicContact CE1-CE2 3.83Å; F223-F234 AromaticContact CE1-CZ 3.96Å; F223-F234 HydrophobicContact CE1-CZ 3.96Å; F223-F234 HydrophobicContact CE2-CE2 4.12Å; F223-F234 AromaticContact CG-CE2 3.85Å; F223-F234 HydrophobicContact CG-CE2 3.85Å; F223-F234 HydrophobicContact CG-CZ 4.04Å; F223-F234 HydrophobicContact CZ-CE2 4Å; F223-E244 HydrophobicContact CE2-CB 4.35Å; F223-W246 HydrophobicContact CE1-CB 4.22Å; F223-N364 VanDerWaalsContact CB-O 3.25Å; F223-N364 WeakPolarHBondContact CB-O 3.44Å; F223-N364 HydrophobicContact CD1-CB 3.91Å
224	N	97.7	Very high	98	Very high	81 Å²	81	45.8 Å²	45.8	43%	0.433	24%	0.24	S	C	.	.			trans	-78.5	81	169.4	-169.2	8.3	0	0	0	109.9	D222 G350	D222-N224 WeakPolarHBondContact OD1-CB 3.41Å; D222-N224 PolarHBondContact OD1-N 3.25Å; N224-G350 VanDerWaalsContact CA-O 3.24Å; N224-G350 WeakPolarHBondContact CA-O 3.26Å; N224-G350 WeakPolarHBondContact CB-O 3.16Å
225	K	98.4	Very high	97.9	Very high	40 Å²	40	47.4 Å²	47.4	17%	0.174	26%	0.256	C	S	.	.			trans	-123.7	154.2	-171.5	-63.1	-68.5	178.7	-112.3	0	111.3	D222 F223 Q229 Y230 F234	D222-K225 WeakPolarHBondContact O-CE 3.49Å; D222-K225 WeakPolarHBondContact O-CG 3.34Å; D222-K225 PolarHBondContact O-NZ 3.49Å; D222-K225 IonicContact OD2-NZ 2.68Å; D222-K225 PolarHBondContact OD2-NZ 2.02Å; F223-K225 VanDerWaalsContact C-N 3.28Å; F223-K225 PolarHBondContact O-N 3.06Å; K225-Q229 HydrophobicContact CB-CB 3.84Å; K225-Q229 HydrophobicContact CD-CB 4.43Å; K225-Q229 HydrophobicContact CG-CB 4.49Å; K225-Y230 HydrophobicContact CB-CD2 3.81Å; K225-Y230 HydrophobicContact CB-CE2 3.63Å; K225-Y230 WeakPolarHBondContact O-CD2 3.27Å; K225-Y230 WeakPolarHBondContact O-CE2 3.39Å; K225-F234 HydrophobicContact CB-CD1 4.16Å; K225-F234 HydrophobicContact CB-CE1 3.86Å; K225-F234 HydrophobicContact CB-CZ 4.29Å; K225-F234 HydrophobicContact CG-CD1 3.92Å; K225-F234 HydrophobicContact CG-CD2 4.21Å; K225-F234 HydrophobicContact CG-CE1 3.79Å; K225-F234 HydrophobicContact CG-CE2 4.1Å; K225-F234 HydrophobicContact CG-CG 4.13Å; K225-F234 HydrophobicContact CG-CZ 3.89Å
226	D	98.6	Very high	97.8	Very high	59 Å²	59	55.4 Å²	55.4	32%	0.316	29%	0.288	S	S	.	.			trans	-77.6	175.3	-179.9	68.8	41.4	0	0	0	112.7	I228 Q229 Y230 D335	D226-I228 VanDerWaalsContact C-N 3.32Å; D226-I228 PolarHBondContact O-N 2.84Å; D226-I228 PolarHBondContact OD1-N 2.96Å; D226-Q229 PolarHBondContact O-N 2.97Å; D226-Q229 WeakPolarHBondContact OD1-CB 3.3Å; D226-Q229 VanDerWaalsContact OD1-CG 3.29Å; D226-Q229 WeakPolarHBondContact OD1-CG 3.43Å; D226-Q229 PolarHBondContact OD1-N 2.87Å; D226-Q229 PolarHBondContact OD2-OE1 3.11Å; D226-Y230 PolarHBondContact O-N 2.99Å; D226-D335 WeakPolarHBondContact CA-OD1 3.41Å
227	W	98.8	Very high	97.8	Very high	9 Å²	9	57.2 Å²	57.2	3%	0.034	30%	0.297	C	S	.	.	H	α-helix	trans	-56.5	-43.6	-178.9	-178.9	-100.9	0	0	0	113.1	Y230 K231 E289 M292 Y293 F331 T333 D335 K336	W227-Y230 PolarHBondContact O-N 3.08Å; W227-K231 VanDerWaalsContact O-CB 3.25Å; W227-K231 WeakPolarHBondContact O-CB 3.45Å; W227-K231 PolarHBondContact O-N 2.95Å; W227-E289 HydrophobicContact CZ2-CG 4.37Å; W227-E289 PolarHBondContact NE1-OE1 3.32Å; W227-E289 VanDerWaalsContact NE1-OE1 3.15Å; W227-M292 HydrophobicContact CH2-CB 4Å; W227-M292 HydrophobicContact CH2-SD 4.1Å; W227-M292 HydrophobicContact CZ2-SD 4.09Å; W227-Y293 AromaticContact CH2-CD2 3.72Å; W227-Y293 HydrophobicContact CH2-CD2 3.72Å; W227-Y293 HydrophobicContact CH2-CE2 4.28Å; W227-Y293 AromaticContact CZ2-CD2 3.52Å; W227-Y293 HydrophobicContact CZ2-CD2 3.52Å; W227-Y293 AromaticContact CZ2-CE2 3.62Å; W227-Y293 HydrophobicContact CZ2-CE2 3.62Å; W227-F331 HydrophobicContact CH2-CB 4.36Å; W227-F331 HydrophobicContact CZ3-CB 4.16Å; W227-F331 HydrophobicContact CZ3-CD1 4.07Å; W227-F331 WeakPolarHBondContact CZ3-O 3.49Å; W227-T333 WeakPolarHBondContact CA-OG1 3.29Å; W227-T333 HydrophobicContact CE3-CG2 4.15Å; W227-T333 PolarHBondContact N-OG1 2.9Å; W227-D335 WeakPolarHBondContact CB-OD2 3.33Å; W227-D335 PolarHBondContact N-OD1 3.21Å; W227-D335 PolarHBondContact N-OD2 3.01Å; W227-K336 HydrophobicContact CB-CB 4.14Å; W227-K336 HydrophobicContact CB-CD 4.42Å; W227-K336 HydrophobicContact CD2-CB 4.13Å; W227-K336 HydrophobicContact CD2-CD 3.3Å; W227-K336 HydrophobicContact CD2-CG 4.32Å; W227-K336 VanDerWaalsContact CE2-NZ 3.31Å; W227-K336 HydrophobicContact CE3-CB 3.86Å; W227-K336 HydrophobicContact CE3-CD 3.52Å; W227-K336 HydrophobicContact CE3-CG 4.18Å; W227-K336 HydrophobicContact CG-CB 4.26Å; W227-K336 HydrophobicContact CG-CD 3.7Å; W227-K336 HydrophobicContact CH2-CD 4.06Å; W227-K336 HydrophobicContact CZ2-CD 3.9Å; W227-K336 HydrophobicContact CZ3-CD 3.89Å
228	I	98.8	Very high	97.7	Very high	94 Å²	94	54.6 Å²	54.6	48%	0.482	29%	0.29	S	S	.	.	H	α-helix	trans	-71.5	-40.2	-175.3	-61.6	-62.4	0	0	0	110.1	D226 K231 E232	D226-I228 VanDerWaalsContact C-N 3.32Å; D226-I228 PolarHBondContact O-N 2.84Å; D226-I228 PolarHBondContact OD1-N 2.96Å; I228-K231 WeakPolarHBondContact O-CB 3.5Å; I228-K231 PolarHBondContact O-N 3.32Å; I228-E232 HydrophobicContact CG2-CG 4.31Å; I228-E232 WeakPolarHBondContact O-CG 3.4Å; I228-E232 PolarHBondContact O-N 2.89Å
229	Q	98.8	Very high	97.6	Very high	75 Å²	75	53.4 Å²	53.4	35%	0.35	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-44.2	174.9	-69.5	174.9	-41.7	0	0	111.4	K225 D226 K231 G233 F234	K225-Q229 HydrophobicContact CB-CB 3.84Å; K225-Q229 HydrophobicContact CD-CB 4.43Å; K225-Q229 HydrophobicContact CG-CB 4.49Å; D226-Q229 PolarHBondContact O-N 2.97Å; D226-Q229 WeakPolarHBondContact OD1-CB 3.3Å; D226-Q229 VanDerWaalsContact OD1-CG 3.29Å; D226-Q229 WeakPolarHBondContact OD1-CG 3.43Å; D226-Q229 PolarHBondContact OD1-N 2.87Å; D226-Q229 PolarHBondContact OD2-OE1 3.11Å; Q229-K231 VanDerWaalsContact C-N 3.33Å; Q229-K231 PolarHBondContact O-N 3.34Å; Q229-G233 CarbonylContact O-C 3.59Å; Q229-G233 VanDerWaalsContact O-CA 3.31Å; Q229-G233 WeakPolarHBondContact O-CA 3.21Å; Q229-G233 PolarHBondContact O-N 3.38Å; Q229-F234 HydrophobicContact CB-CD1 4.34Å
230	Y	98.9	Very high	97.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.1	-32.9	174.3	-92.1	-74.4	0	0	0	113.2	F223 K225 D226 W227 F234 W246 G248 N249 F331 T333 G352 N364	F223-Y230 WeakPolarHBondContact O-CE2 3.33Å; F223-Y230 PolarHBondContact O-OH 2.74Å; K225-Y230 HydrophobicContact CB-CD2 3.81Å; K225-Y230 HydrophobicContact CB-CE2 3.63Å; K225-Y230 WeakPolarHBondContact O-CD2 3.27Å; K225-Y230 WeakPolarHBondContact O-CE2 3.39Å; D226-Y230 PolarHBondContact O-N 2.99Å; W227-Y230 PolarHBondContact O-N 3.08Å; Y230-F234 AromaticContact CD1-CE1 3.7Å; Y230-F234 HydrophobicContact CD1-CE1 3.7Å; Y230-F234 HydrophobicContact CD1-CZ 4.26Å; Y230-F234 HydrophobicContact CD2-CE1 4.12Å; Y230-F234 AromaticContact CE1-CE1 3.59Å; Y230-F234 HydrophobicContact CE1-CE1 3.59Å; Y230-F234 AromaticContact CE1-CZ 3.67Å; Y230-F234 HydrophobicContact CE1-CZ 3.67Å; Y230-F234 HydrophobicContact CE2-CE1 4.03Å; Y230-F234 HydrophobicContact CE2-CZ 4.26Å; Y230-F234 AromaticContact CG-CE1 3.96Å; Y230-F234 HydrophobicContact CG-CE1 3.96Å; Y230-F234 AromaticContact CZ-CE1 3.76Å; Y230-F234 AromaticContact CZ-CZ 3.67Å; Y230-W246 AromaticContact CD1-CD1 3.65Å; Y230-W246 HydrophobicContact CD1-CD2 4.1Å; Y230-W246 AromaticContact CD1-CE2 3.86Å; Y230-W246 AromaticContact CD1-CG 4Å; Y230-W246 HydrophobicContact CD1-CG 4Å; Y230-W246 AromaticContact CD1-NE1 3.57Å; Y230-W246 HydrophobicContact CE1-CD2 4.11Å; Y230-W246 HydrophobicContact CE1-CG 4.13Å; Y230-W246 PolarHBondContact O-NE1 3.17Å; Y230-G248 CarbonylContact O-C 3.55Å; Y230-G248 WeakPolarHBondContact O-CA 3.23Å; Y230-N249 VanDerWaalsContact O-CG 3.26Å; Y230-N249 PolarHBondContact O-N 2.86Å; Y230-N249 PolarHBondContact O-OD1 2.96Å; Y230-F331 AromaticContact CD1-CE1 3.72Å; Y230-F331 HydrophobicContact CD1-CE1 3.72Å; Y230-F331 AromaticContact CD1-CZ 3.49Å; Y230-F331 HydrophobicContact CD1-CZ 3.49Å; Y230-F331 VanDerWaalsContact CD1-CZ 3.49Å; Y230-F331 HydrophobicContact CD2-CE1 4.31Å; Y230-F331 HydrophobicContact CE1-CE1 4.42Å; Y230-F331 AromaticContact CE1-CZ 3.95Å; Y230-F331 HydrophobicContact CE1-CZ 3.95Å; Y230-F331 AromaticContact CG-CE1 3.66Å; Y230-F331 HydrophobicContact CG-CE1 3.66Å; Y230-F331 AromaticContact CG-CZ 3.96Å; Y230-F331 HydrophobicContact CG-CZ 3.96Å; Y230-T333 HydrophobicContact CD2-CG2 3.61Å; Y230-T333 HydrophobicContact CE2-CG2 4.39Å; Y230-T333 HydrophobicContact CG-CG2 4.12Å; Y230-G352 VanDerWaalsContact CZ-CA 3.44Å; Y230-G352 PolarHBondContact OH-N 2.77Å; Y230-N364 WeakPolarHBondContact CE1-ND2 3.31Å
231	K	98.8	Very high	97.2	Very high	39 Å²	39	51.4 Å²	51.4	17%	0.17	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-53.3	174.2	164.8	175.4	179.3	177.4	0	112.2	W227 I228 Q229 G248 N249 E250 E289 Y293	W227-K231 VanDerWaalsContact O-CB 3.25Å; W227-K231 WeakPolarHBondContact O-CB 3.45Å; W227-K231 PolarHBondContact O-N 2.95Å; I228-K231 WeakPolarHBondContact O-CB 3.5Å; I228-K231 PolarHBondContact O-N 3.32Å; Q229-K231 VanDerWaalsContact C-N 3.33Å; Q229-K231 PolarHBondContact O-N 3.34Å; K231-G248 CarbonylContact O-C 3.56Å; K231-G248 VanDerWaalsContact O-C 3.3Å; K231-G248 WeakPolarHBondContact O-CA 3.37Å; K231-N249 PolarHBondContact O-N 2.73Å; K231-E250 HydrophobicContact CG-CB 4.3Å; K231-E250 PolarHBondContact O-N 2.72Å; K231-E250 VanDerWaalsContact O-N 3.17Å; K231-E289 WeakPolarHBondContact CD-OE1 3.39Å; K231-E289 WeakPolarHBondContact CE-OE2 3.27Å; K231-E289 VanDerWaalsContact NZ-CD 3.35Å; K231-E289 IonicContact NZ-OE1 3.43Å; K231-E289 PolarHBondContact NZ-OE1 2.87Å; K231-E289 IonicContact NZ-OE2 3.36Å; K231-E289 PolarHBondContact NZ-OE2 3.43Å; K231-Y293 HydrophobicContact CB-CE2 4.21Å; K231-Y293 WeakPolarHBondContact CD-OH 3.31Å; K231-Y293 WeakPolarHBondContact CE-OH 3.34Å; K231-Y293 HydrophobicContact CG-CE2 4.34Å; K231-Y293 VanDerWaalsContact CG-OH 3.27Å; K231-Y293 WeakPolarHBondContact CG-OH 3.21Å
232	E	98.6	Very high	97.1	Very high	98 Å²	98	54 Å²	54	46%	0.458	28%	0.283	S	S	.	.	H	α-helix	trans	-82.3	-27.9	-173.6	-62.4	-57	147.7	0	0	112.6	I228 K251	I228-E232 HydrophobicContact CG2-CG 4.31Å; I228-E232 WeakPolarHBondContact O-CG 3.4Å; I228-E232 PolarHBondContact O-N 2.89Å; E232-K251 WeakPolarHBondContact O-CE 3.35Å; E232-K251 PolarHBondContact O-NZ 3.12Å
233	G	98.7	Very high	97	Very high	23 Å²	23	51.2 Å²	51.2	24%	0.237	27%	0.269	C	S	.	.			trans	99.7	158.1	-175.4	0	0	0	0	0	113.3	Q229 W246 L247	Q229-G233 CarbonylContact O-C 3.59Å; Q229-G233 VanDerWaalsContact O-CA 3.31Å; Q229-G233 WeakPolarHBondContact O-CA 3.21Å; Q229-G233 PolarHBondContact O-N 3.38Å; G233-W246 CarbonylContact C-O 3.52Å; G233-W246 WeakPolarHBondContact CA-O 3.35Å; G233-L247 WeakPolarHBondContact CA-O 3.48Å
234	F	98.8	Very high	97	Very high	27 Å²	27	51 Å²	51	12%	0.118	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	171.9	-178.7	59	-97.1	0	0	0	111.4	V221 F223 K225 Q229 Y230 F245 W246	V221-F234 HydrophobicContact CG1-CD2 3.79Å; V221-F234 HydrophobicContact CG1-CE2 4.04Å; F223-F234 HydrophobicContact CB-CZ 4.47Å; F223-F234 AromaticContact CD1-CE2 3.74Å; F223-F234 HydrophobicContact CD1-CE2 3.74Å; F223-F234 AromaticContact CD1-CZ 3.64Å; F223-F234 HydrophobicContact CD1-CZ 3.64Å; F223-F234 HydrophobicContact CD2-CE2 4.06Å; F223-F234 AromaticContact CE1-CE2 3.83Å; F223-F234 HydrophobicContact CE1-CE2 3.83Å; F223-F234 AromaticContact CE1-CZ 3.96Å; F223-F234 HydrophobicContact CE1-CZ 3.96Å; F223-F234 HydrophobicContact CE2-CE2 4.12Å; F223-F234 AromaticContact CG-CE2 3.85Å; F223-F234 HydrophobicContact CG-CE2 3.85Å; F223-F234 HydrophobicContact CG-CZ 4.04Å; F223-F234 HydrophobicContact CZ-CE2 4Å; K225-F234 HydrophobicContact CB-CD1 4.16Å; K225-F234 HydrophobicContact CB-CE1 3.86Å; K225-F234 HydrophobicContact CB-CZ 4.29Å; K225-F234 HydrophobicContact CG-CD1 3.92Å; K225-F234 HydrophobicContact CG-CD2 4.21Å; K225-F234 HydrophobicContact CG-CE1 3.79Å; K225-F234 HydrophobicContact CG-CE2 4.1Å; K225-F234 HydrophobicContact CG-CG 4.13Å; K225-F234 HydrophobicContact CG-CZ 3.89Å; Q229-F234 HydrophobicContact CB-CD1 4.34Å; Y230-F234 AromaticContact CD1-CE1 3.7Å; Y230-F234 HydrophobicContact CD1-CE1 3.7Å; Y230-F234 HydrophobicContact CD1-CZ 4.26Å; Y230-F234 HydrophobicContact CD2-CE1 4.12Å; Y230-F234 AromaticContact CE1-CE1 3.59Å; Y230-F234 HydrophobicContact CE1-CE1 3.59Å; Y230-F234 AromaticContact CE1-CZ 3.67Å; Y230-F234 HydrophobicContact CE1-CZ 3.67Å; Y230-F234 HydrophobicContact CE2-CE1 4.03Å; Y230-F234 HydrophobicContact CE2-CZ 4.26Å; Y230-F234 AromaticContact CG-CE1 3.96Å; Y230-F234 HydrophobicContact CG-CE1 3.96Å; Y230-F234 AromaticContact CZ-CE1 3.76Å; Y230-F234 AromaticContact CZ-CZ 3.67Å; F234-F245 WeakPolarHBondContact O-CA 3.34Å; F234-F245 WeakPolarHBondContact O-CB 3.47Å; F234-W246 HydrophobicContact CD1-CB 4.02Å; F234-W246 HydrophobicContact CD2-CB 4.27Å; F234-W246 HydrophobicContact CE1-CB 3.61Å; F234-W246 HydrophobicContact CE1-CG 4.01Å; F234-W246 HydrophobicContact CE2-CB 3.88Å; F234-W246 HydrophobicContact CG-CB 4.33Å; F234-W246 HydrophobicContact CZ-CB 3.53Å; F234-W246 HydrophobicContact CZ-CG 4.23Å; F234-W246 PolarHBondContact N-O 3.02Å; F234-W246 PolarHBondContact O-N 3.38Å
235	G	97.9	Very high	97.1	Very high	33 Å²	33	47.4 Å²	47.4	34%	0.34	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	84	-167.3	-171.5	0	0	0	0	0	111.9	E244	G235-E244 WeakPolarHBondContact CA-O 3.21Å
236	Y	96.4	Very high	97.1	Very high	175 Å²	175	45.6 Å²	45.6	69%	0.686	24%	0.241	S	C	*	.			trans	-124.7	141.3	-172.7	-57.4	-82.2	0	0	0	110.3	T243 E244	Y236-T243 VanDerWaalsContact O-CB 3.26Å; Y236-T243 WeakPolarHBondContact O-CB 3.1Å; Y236-T243 PolarHBondContact O-OG1 2.81Å; Y236-E244 PolarHBondContact N-O 3.06Å; Y236-E244 VanDerWaalsContact N-O 3.07Å
237	L	96.7	Very high	97.1	Very high	41 Å²	41	43 Å²	43	22%	0.215	23%	0.228	C	C	.	.			trans	-96.6	129.6	168.9	-59.2	175.4	0	0	0	108.1	L185 L198 F245	L185-L237 HydrophobicContact CD2-CB 3.55Å; L198-L237 HydrophobicContact CB-CD1 4.08Å; L198-L237 HydrophobicContact CD2-CD1 4.1Å; L198-L237 HydrophobicContact CG-CD1 3.9Å; L198-L237 WeakPolarHBondContact O-CD1 3.27Å; L237-F245 HydrophobicContact CD2-CB 4.47Å; L237-F245 HydrophobicContact CD2-CD1 3.63Å; L237-F245 HydrophobicContact CD2-CD2 3.57Å; L237-F245 HydrophobicContact CD2-CE1 3.54Å; L237-F245 HydrophobicContact CD2-CE2 3.49Å; L237-F245 VanDerWaalsContact CD2-CE2 3.49Å; L237-F245 HydrophobicContact CD2-CG 3.63Å; L237-F245 HydrophobicContact CD2-CZ 3.45Å; L237-F245 VanDerWaalsContact CD2-CZ 3.45Å
238	S	94.8	Very high	97.1	Very high	12 Å²	12	42.6 Å²	42.6	8%	0.084	23%	0.226	C	C	.	.			trans	-121.1	146.3	175.1	81.3	0	0	0	0	111.6	Y200 D240 D241 T242 T243	Y200-S238 VanDerWaalsContact CD2-O 3.26Å; Y200-S238 WeakPolarHBondContact CD2-O 3.43Å; Y200-S238 WeakPolarHBondContact CE2-O 3.49Å; S238-D240 WeakPolarHBondContact CB-OD1 3.41Å; S238-D240 PolarHBondContact O-N 2.92Å; S238-D240 PolarHBondContact OG-OD1 2.96Å; S238-D241 PolarHBondContact O-N 2.96Å; S238-D241 PolarHBondContact OG-N 3.47Å; S238-D241 VanDerWaalsContact OG-N 3.17Å; S238-T242 PolarHBondContact OG-N 3.02Å; S238-T242 PolarHBondContact OG-OG1 2.99Å; S238-T243 PolarHBondContact N-OG1 3.49Å
239	P	92.1	Very high	97.1	Very high	36 Å²	36	38.1 Å²	38.1	23%	0.234	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-25.3	179.8	-15.7	27.9	0	0	0	113.5	V162 L185	V162-P239 HydrophobicContact CB-CG 4.37Å; V162-P239 HydrophobicContact CG1-CG 4Å; L185-P239 HydrophobicContact CD1-CG 3.9Å; L185-P239 HydrophobicContact CG-CB 4.4Å; L185-P239 HydrophobicContact CG-CG 4.1Å
240	D	92.1	Very high	97.1	Very high	103 Å²	103	37.3 Å²	37.3	55%	0.551	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	2.2	-178.4	65.5	-26.8	0	0	0	113.7	S238 T242	S238-D240 WeakPolarHBondContact CB-OD1 3.41Å; S238-D240 PolarHBondContact O-N 2.92Å; S238-D240 PolarHBondContact OG-OD1 2.96Å; D240-T242 VanDerWaalsContact C-N 3.35Å; D240-T242 HydrophobicContact CB-CG2 4.33Å; D240-T242 PolarHBondContact O-N 2.8Å; D240-T242 PolarHBondContact OD1-OG1 3.39Å; D240-T242 WeakPolarHBondContact OD2-CG2 3.05Å; D240-T242 PolarHBondContact OD2-OG1 2.9Å
241	D	92.9	Very high	97.1	Very high	18 Å²	18	39.8 Å²	39.8	10%	0.096	21%	0.21	C	C	.	.	S	Bend	trans	62.8	33.5	175.3	-164.8	45.8	0	0	0	114.9	Y200 R215 R217 S238	Y200-D241 HydrophobicContact CE1-CB 4.32Å; Y200-D241 HydrophobicContact CE2-CB 3.92Å; Y200-D241 WeakPolarHBondContact OH-CB 3.36Å; R215-D241 IonicContact CZ-OD1 2.95Å; R215-D241 IonicContact CZ-OD2 2.77Å; R215-D241 IonicContact NE-OD1 3.84Å; R215-D241 PolarHBondContact NE-OD1 3.03Å; R215-D241 IonicContact NH1-OD1 3.16Å; R215-D241 PolarHBondContact NH1-OD1 2.75Å; R215-D241 IonicContact NH1-OD2 2.93Å; R215-D241 PolarHBondContact NH1-OD2 2.98Å; R215-D241 IonicContact NH2-OD1 3.39Å; R215-D241 PolarHBondContact NH2-OD1 2.94Å; R215-D241 IonicContact NH2-OD2 3.87Å; R215-D241 PolarHBondContact NH2-OD2 3.13Å; R217-D241 IonicContact CZ-OD2 3.34Å; R217-D241 PolarHBondContact NH1-O 2.92Å; R217-D241 IonicContact NH1-OD2 2.71Å; R217-D241 PolarHBondContact NH1-OD2 3.15Å; S238-D241 PolarHBondContact O-N 2.96Å; S238-D241 PolarHBondContact OG-N 3.47Å; S238-D241 VanDerWaalsContact OG-N 3.17Å
242	T	94.3	Very high	97.1	Very high	76 Å²	76	37.9 Å²	37.9	47%	0.466	20%	0.202	S	C	.	.			trans	-100.2	2.3	-176.1	54.2	0	0	0	0	113.7	S238 D240	S238-T242 PolarHBondContact OG-N 3.02Å; S238-T242 PolarHBondContact OG-OG1 2.99Å; D240-T242 VanDerWaalsContact C-N 3.35Å; D240-T242 HydrophobicContact CB-CG2 4.33Å; D240-T242 PolarHBondContact O-N 2.8Å; D240-T242 PolarHBondContact OD1-OG1 3.39Å; D240-T242 WeakPolarHBondContact OD2-CG2 3.05Å; D240-T242 PolarHBondContact OD2-OG1 2.9Å
243	T	96.4	Very high	97.1	Very high	31 Å²	31	34.6 Å²	34.6	19%	0.19	19%	0.186	C	C	.	.	S	Bend	trans	-113.1	163.6	-175.5	57.1	0	0	0	0	113.4	R215 Y236 S238	R215-T243 VanDerWaalsContact CG-O 3.31Å; R215-T243 WeakPolarHBondContact CG-O 3.44Å; Y236-T243 VanDerWaalsContact O-CB 3.26Å; Y236-T243 WeakPolarHBondContact O-CB 3.1Å; Y236-T243 PolarHBondContact O-OG1 2.81Å; S238-T243 PolarHBondContact N-OG1 3.49Å
244	E	98.6	Very high	97	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	18%	0.181	C	C	.	.			trans	-102.9	147	172.8	-58.7	-171.3	141.4	0	0	111.3	R215 R216 R217 D218 G219 N220 V221 F223 G235 Y236	R215-E244 VanDerWaalsContact O-CA 3.3Å; R215-E244 WeakPolarHBondContact O-CA 3.42Å; R215-E244 WeakPolarHBondContact O-CB 3.48Å; R216-E244 WeakPolarHBondContact CA-OE1 3.49Å; R216-E244 IonicContact NE-OE1 2.92Å; R216-E244 IonicContact NE-OE2 3.62Å; R217-E244 PolarHBondContact N-OE1 2.74Å; D218-E244 PolarHBondContact N-OE1 2.79Å; D218-E244 VanDerWaalsContact OD1-CG 3.28Å; D218-E244 WeakPolarHBondContact OD1-CG 3.43Å; G219-E244 WeakPolarHBondContact CA-OE2 3.49Å; G219-E244 VanDerWaalsContact N-CD 3.3Å; G219-E244 PolarHBondContact N-OE1 3.04Å; G219-E244 PolarHBondContact N-OE2 2.67Å; N220-E244 PolarHBondContact N-OE2 3.23Å; V221-E244 HydrophobicContact CB-CB 3.83Å; V221-E244 HydrophobicContact CG2-CB 3.79Å; V221-E244 WeakPolarHBondContact CG2-O 3.27Å; V221-E244 PolarHBondContact N-OE2 2.94Å; V221-E244 VanDerWaalsContact N-OE2 3.08Å; F223-E244 HydrophobicContact CE2-CB 4.35Å; G235-E244 WeakPolarHBondContact CA-O 3.21Å; Y236-E244 PolarHBondContact N-O 3.06Å; Y236-E244 VanDerWaalsContact N-O 3.07Å
245	F	98.8	Very high	97	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	161.4	176.8	65.5	-87.1	0	0	0	113.2	V212 Q214 R215 F234 L237 L247	V212-F245 HydrophobicContact CB-CZ 3.98Å; V212-F245 HydrophobicContact CG1-CE1 4.3Å; V212-F245 HydrophobicContact CG1-CE2 4.25Å; V212-F245 HydrophobicContact CG1-CZ 3.53Å; Q214-F245 WeakPolarHBondContact CA-O 3.15Å; R215-F245 HydrophobicContact CB-CD1 3.76Å; R215-F245 HydrophobicContact CB-CE1 3.58Å; R215-F245 HydrophobicContact CB-CZ 4.26Å; R215-F245 HydrophobicContact CG-CE1 4.46Å; R215-F245 PolarHBondContact N-O 3.43Å; R215-F245 PolarHBondContact O-N 3.36Å; R215-F245 VanDerWaalsContact O-N 3.12Å; F234-F245 WeakPolarHBondContact O-CA 3.34Å; F234-F245 WeakPolarHBondContact O-CB 3.47Å; L237-F245 HydrophobicContact CD2-CB 4.47Å; L237-F245 HydrophobicContact CD2-CD1 3.63Å; L237-F245 HydrophobicContact CD2-CD2 3.57Å; L237-F245 HydrophobicContact CD2-CE1 3.54Å; L237-F245 HydrophobicContact CD2-CE2 3.49Å; L237-F245 VanDerWaalsContact CD2-CE2 3.49Å; L237-F245 HydrophobicContact CD2-CG 3.63Å; L237-F245 HydrophobicContact CD2-CZ 3.45Å; L237-F245 VanDerWaalsContact CD2-CZ 3.45Å; F245-L247 HydrophobicContact CE2-CB 4.41Å
246	W	98.9	Very high	96.9	Very high	2 Å²	2	32 Å²	32	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.5	160.7	-178.7	-104.6	0	0	0	108.2	Q214 F223 Y230 G233 F234 G248 N249 M252 F331 W353 W354 N364 M404	Q214-W246 HydrophobicContact CB-CE3 3.7Å; Q214-W246 HydrophobicContact CB-CZ3 3.79Å; Q214-W246 HydrophobicContact CG-CE3 3.52Å; Q214-W246 HydrophobicContact CG-CZ3 3.77Å; F223-W246 HydrophobicContact CE1-CB 4.22Å; Y230-W246 AromaticContact CD1-CD1 3.65Å; Y230-W246 HydrophobicContact CD1-CD2 4.1Å; Y230-W246 AromaticContact CD1-CE2 3.86Å; Y230-W246 AromaticContact CD1-CG 4Å; Y230-W246 HydrophobicContact CD1-CG 4Å; Y230-W246 AromaticContact CD1-NE1 3.57Å; Y230-W246 HydrophobicContact CE1-CD2 4.11Å; Y230-W246 HydrophobicContact CE1-CG 4.13Å; Y230-W246 PolarHBondContact O-NE1 3.17Å; G233-W246 CarbonylContact C-O 3.52Å; G233-W246 WeakPolarHBondContact CA-O 3.35Å; F234-W246 HydrophobicContact CD1-CB 4.02Å; F234-W246 HydrophobicContact CD2-CB 4.27Å; F234-W246 HydrophobicContact CE1-CB 3.61Å; F234-W246 HydrophobicContact CE1-CG 4.01Å; F234-W246 HydrophobicContact CE2-CB 3.88Å; F234-W246 HydrophobicContact CG-CB 4.33Å; F234-W246 HydrophobicContact CZ-CB 3.53Å; F234-W246 HydrophobicContact CZ-CG 4.23Å; F234-W246 PolarHBondContact N-O 3.02Å; F234-W246 PolarHBondContact O-N 3.38Å; W246-G248 VanDerWaalsContact C-N 3.27Å; W246-G248 PolarHBondContact O-N 2.92Å; W246-N249 VanDerWaalsContact CE2-OD1 3.24Å; W246-N249 WeakPolarHBondContact CZ2-OD1 3.36Å; W246-N249 PolarHBondContact NE1-OD1 3.45Å; W246-M252 HydrophobicContact CD2-CE 3.62Å; W246-M252 HydrophobicContact CE3-CE 3.89Å; W246-M252 HydrophobicContact CG-CE 4.35Å; W246-M252 HydrophobicContact CH2-CE 3.6Å; W246-M252 HydrophobicContact CH2-SD 3.94Å; W246-M252 HydrophobicContact CZ2-CE 3.3Å; W246-M252 HydrophobicContact CZ2-SD 3.66Å; W246-M252 HydrophobicContact CZ3-CE 3.88Å; W246-F331 HydrophobicContact CH2-CE2 4.34Å; W246-F331 HydrophobicContact CZ2-CE2 4.01Å; W246-F331 HydrophobicContact CZ2-CZ 4.15Å; W246-W353 HydrophobicContact CH2-CZ3 4.49Å; W246-W353 HydrophobicContact CZ3-CZ3 4.35Å; W246-W354 AromaticContact CH2-CH2 3.97Å; W246-W354 HydrophobicContact CH2-CH2 3.97Å; W246-W354 HydrophobicContact CH2-CZ3 4.3Å; W246-N364 WeakPolarHBondContact CZ3-ND2 3.3Å; W246-M404 HydrophobicContact CZ3-SD 4.09Å
247	L	98.8	Very high	96.9	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.031	14%	0.138	C	C	.	.			trans	-62.1	-37.6	-173.4	-179.4	62.4	0	0	0	112.1	V199 L213 G233 F245 K251 M252 L255	V199-L247 HydrophobicContact CG1-CD1 3.92Å; V199-L247 HydrophobicContact CG1-CD2 4.14Å; L213-L247 HydrophobicContact CD2-CD2 3.75Å; L213-L247 WeakPolarHBondContact O-CB 3.36Å; L213-L247 PolarHBondContact O-N 2.6Å; G233-L247 WeakPolarHBondContact CA-O 3.48Å; F245-L247 HydrophobicContact CE2-CB 4.41Å; L247-K251 HydrophobicContact CD1-CD 4.01Å; L247-K251 HydrophobicContact CD2-CB 4.26Å; L247-K251 HydrophobicContact CG-CB 4.03Å; L247-K251 HydrophobicContact CG-CD 4.08Å; L247-K251 VanDerWaalsContact O-CD 3.3Å; L247-K251 WeakPolarHBondContact O-CD 3.39Å; L247-K251 PolarHBondContact O-NZ 3.31Å; L247-M252 HydrophobicContact CB-CE 4.07Å; L247-L255 HydrophobicContact CD2-CD1 3.81Å
248	G	98.8	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.			trans	120.6	132.3	-177	0	0	0	0	0	112.3	Y230 K231 W246 E250 K251 M252	Y230-G248 CarbonylContact O-C 3.55Å; Y230-G248 WeakPolarHBondContact O-CA 3.23Å; K231-G248 CarbonylContact O-C 3.56Å; K231-G248 VanDerWaalsContact O-C 3.3Å; K231-G248 WeakPolarHBondContact O-CA 3.37Å; W246-G248 VanDerWaalsContact C-N 3.27Å; W246-G248 PolarHBondContact O-N 2.92Å; G248-E250 VanDerWaalsContact C-N 3.3Å; G248-E250 PolarHBondContact O-N 2.78Å; G248-K251 PolarHBondContact O-N 2.69Å; G248-K251 VanDerWaalsContact O-N 3.15Å; G248-M252 WeakPolarHBondContact O-CG 3.46Å; G248-M252 PolarHBondContact O-N 2.77Å
249	N	98.9	Very high	96.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.3	-38.5	-175	-62.1	-10.6	0	0	0	112.4	Y230 K231 W246 M252 H253 Y293 F331	Y230-N249 VanDerWaalsContact O-CG 3.26Å; Y230-N249 PolarHBondContact O-N 2.86Å; Y230-N249 PolarHBondContact O-OD1 2.96Å; K231-N249 PolarHBondContact O-N 2.73Å; W246-N249 VanDerWaalsContact CE2-OD1 3.24Å; W246-N249 WeakPolarHBondContact CZ2-OD1 3.36Å; W246-N249 PolarHBondContact NE1-OD1 3.45Å; N249-M252 PolarHBondContact O-N 3.4Å; N249-H253 WeakPolarHBondContact O-CB 3.29Å; N249-H253 PolarHBondContact O-N 3.36Å; N249-Y293 HydrophobicContact CB-CD1 3.62Å; N249-Y293 HydrophobicContact CB-CD2 3.62Å; N249-Y293 HydrophobicContact CB-CE1 3.9Å; N249-Y293 HydrophobicContact CB-CE2 3.9Å; N249-Y293 HydrophobicContact CB-CG 3.47Å; N249-Y293 VanDerWaalsContact CB-CG 3.47Å; N249-F331 VanDerWaalsContact ND2-CD1 3.28Å; N249-F331 WeakPolarHBondContact ND2-CD1 3.18Å; N249-F331 WeakPolarHBondContact ND2-CE1 3.16Å
250	E	98.7	Very high	95.8	Very high	57 Å²	57	29.7 Å²	29.7	27%	0.266	17%	0.171	S	C	.	.	H	α-helix	trans	-66.1	-40.6	178.7	-178.8	59.6	-166.4	0	0	111.1	K231 G248 H253 L254 Y293	K231-E250 HydrophobicContact CG-CB 4.3Å; K231-E250 PolarHBondContact O-N 2.72Å; K231-E250 VanDerWaalsContact O-N 3.17Å; G248-E250 VanDerWaalsContact C-N 3.3Å; G248-E250 PolarHBondContact O-N 2.78Å; E250-H253 WeakPolarHBondContact O-CB 3.19Å; E250-H253 PolarHBondContact O-N 3.39Å; E250-L254 HydrophobicContact CG-CD1 4.21Å; E250-L254 WeakPolarHBondContact O-CB 3.4Å; E250-L254 VanDerWaalsContact O-CG 3.27Å; E250-L254 WeakPolarHBondContact O-CG 3.5Å; E250-L254 PolarHBondContact O-N 2.8Å; E250-Y293 HydrophobicContact CB-CE1 4.27Å; E250-Y293 WeakPolarHBondContact OE2-CE1 3.31Å; E250-Y293 PolarHBondContact OE2-OH 3.28Å
251	K	98.7	Very high	95.6	Very high	52 Å²	52	28.3 Å²	28.3	23%	0.226	16%	0.163	C	C	.	.	H	α-helix	trans	-65.5	-40.6	175.9	-62.9	177.3	-162.2	144.8	0	111.2	F197 E232 L247 G248 L254 L255	F197-K251 HydrophobicContact CB-CD 4.16Å; F197-K251 HydrophobicContact CD1-CD 4.35Å; F197-K251 HydrophobicContact CD1-CG 4.09Å; F197-K251 HydrophobicContact CD2-CB 4.32Å; F197-K251 HydrophobicContact CD2-CD 3.63Å; F197-K251 HydrophobicContact CD2-CG 4.03Å; F197-K251 HydrophobicContact CE1-CB 4.28Å; F197-K251 HydrophobicContact CE1-CG 4.1Å; F197-K251 HydrophobicContact CE2-CB 3.83Å; F197-K251 HydrophobicContact CE2-CD 4.03Å; F197-K251 HydrophobicContact CE2-CG 4.03Å; F197-K251 HydrophobicContact CG-CD 3.79Å; F197-K251 HydrophobicContact CG-CG 4.04Å; F197-K251 HydrophobicContact CZ-CB 3.81Å; F197-K251 HydrophobicContact CZ-CG 4.06Å; E232-K251 WeakPolarHBondContact O-CE 3.35Å; E232-K251 PolarHBondContact O-NZ 3.12Å; L247-K251 HydrophobicContact CD1-CD 4.01Å; L247-K251 HydrophobicContact CD2-CB 4.26Å; L247-K251 HydrophobicContact CG-CB 4.03Å; L247-K251 HydrophobicContact CG-CD 4.08Å; L247-K251 VanDerWaalsContact O-CD 3.3Å; L247-K251 WeakPolarHBondContact O-CD 3.39Å; L247-K251 PolarHBondContact O-NZ 3.31Å; G248-K251 PolarHBondContact O-N 2.69Å; G248-K251 VanDerWaalsContact O-N 3.15Å; K251-L254 PolarHBondContact O-N 3.33Å; K251-L255 WeakPolarHBondContact O-CB 3.08Å; K251-L255 WeakPolarHBondContact O-CD1 3.27Å; K251-L255 VanDerWaalsContact O-CG 3.3Å; K251-L255 WeakPolarHBondContact O-CG 3.38Å; K251-L255 PolarHBondContact O-N 2.87Å
252	M	98.6	Very high	95.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-41.1	174.8	-63.8	-175.2	-162.1	0	0	112.3	L213 W246 L247 G248 N249 L255 S256 V286	L213-M252 HydrophobicContact CB-CE 3.79Å; L213-M252 HydrophobicContact CB-CG 4.36Å; L213-M252 HydrophobicContact CB-SD 4.12Å; L213-M252 HydrophobicContact CD1-CG 4.12Å; L213-M252 HydrophobicContact CD1-SD 4.11Å; L213-M252 HydrophobicContact CD2-CG 4.11Å; L213-M252 HydrophobicContact CG-CG 4.44Å; L213-M252 VanDerWaalsContact O-CE 3.23Å; L213-M252 WeakPolarHBondContact O-CE 3.32Å; W246-M252 HydrophobicContact CD2-CE 3.62Å; W246-M252 HydrophobicContact CE3-CE 3.89Å; W246-M252 HydrophobicContact CG-CE 4.35Å; W246-M252 HydrophobicContact CH2-CE 3.6Å; W246-M252 HydrophobicContact CH2-SD 3.94Å; W246-M252 HydrophobicContact CZ2-CE 3.3Å; W246-M252 HydrophobicContact CZ2-SD 3.66Å; W246-M252 HydrophobicContact CZ3-CE 3.88Å; L247-M252 HydrophobicContact CB-CE 4.07Å; G248-M252 WeakPolarHBondContact O-CG 3.46Å; G248-M252 PolarHBondContact O-N 2.77Å; N249-M252 PolarHBondContact O-N 3.4Å; M252-L255 PolarHBondContact O-N 2.99Å; M252-S256 WeakPolarHBondContact O-CB 3.39Å; M252-S256 PolarHBondContact O-N 3.31Å; M252-S256 PolarHBondContact O-OG 3.32Å; M252-V286 HydrophobicContact CB-CB 4.36Å; M252-V286 HydrophobicContact CB-CG2 3.97Å
253	H	98.5	Very high	95.8	Very high	29 Å²	29	26 Å²	26	13%	0.134	15%	0.15	C	C	.	.	H	α-helix	trans	-59.7	-51.2	173.9	170.8	57.4	0	0	0	111.1	N249 E250 L255 S256 T257 V286 G287 Y293	N249-H253 WeakPolarHBondContact O-CB 3.29Å; N249-H253 PolarHBondContact O-N 3.36Å; E250-H253 WeakPolarHBondContact O-CB 3.19Å; E250-H253 PolarHBondContact O-N 3.39Å; H253-L255 VanDerWaalsContact C-N 3.33Å; H253-L255 PolarHBondContact O-N 3.41Å; H253-S256 PolarHBondContact O-N 2.93Å; H253-S256 PolarHBondContact O-OG 3.45Å; H253-T257 PolarHBondContact CE1-OG1 3.41Å; H253-T257 WeakPolarHBondContact O-CB 3.25Å; H253-T257 WeakPolarHBondContact O-CG2 3.44Å; H253-T257 PolarHBondContact O-N 3.15Å; H253-T257 PolarHBondContact O-OG1 2.95Å; H253-V286 HydrophobicContact CB-CB 4.44Å; H253-V286 HydrophobicContact CB-CG1 4.32Å; H253-V286 PolarHBondContact ND1-O 2.83Å; H253-G287 VanDerWaalsContact ND1-C 3.32Å; H253-G287 PolarHBondContact ND1-O 3.13Å; H253-Y293 HydrophobicContact CB-CD1 4.43Å
254	L	98.1	Very high	95.8	Very high	26 Å²	26	24.5 Å²	24.5	14%	0.136	14%	0.141	C	C	.	.	H	α-helix	trans	-60.6	-41.2	179.6	-70.5	169.8	0	0	0	112	P190 K192 A193 E250 K251 Q258	P190-L254 HydrophobicContact CB-CB 4.27Å; P190-L254 HydrophobicContact CG-CB 4.29Å; K192-L254 HydrophobicContact CB-CD2 4.37Å; A193-L254 HydrophobicContact CB-CD1 4.02Å; E250-L254 HydrophobicContact CG-CD1 4.21Å; E250-L254 WeakPolarHBondContact O-CB 3.4Å; E250-L254 VanDerWaalsContact O-CG 3.27Å; E250-L254 WeakPolarHBondContact O-CG 3.5Å; E250-L254 PolarHBondContact O-N 2.8Å; K251-L254 PolarHBondContact O-N 3.33Å; L254-Q258 WeakPolarHBondContact O-CB 3.47Å; L254-Q258 PolarHBondContact O-N 2.88Å
255	L	98	Very high	95.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.8	-47.1	177.5	-75.7	163.3	0	0	0	112.5	D171 V188 P190 F197 T211 L213 L247 K251 M252 H253 T257 Q258 Y263 I406	D171-L255 HydrophobicContact CB-CD2 4.17Å; V188-L255 HydrophobicContact CG2-CD2 4.47Å; P190-L255 HydrophobicContact CG-CD2 3.8Å; P190-L255 HydrophobicContact CG-CG 4.1Å; F197-L255 HydrophobicContact CE2-CD1 4.16Å; F197-L255 HydrophobicContact CE2-CG 4.49Å; F197-L255 HydrophobicContact CZ-CD1 4.19Å; F197-L255 HydrophobicContact CZ-CD2 4.42Å; F197-L255 HydrophobicContact CZ-CG 4.06Å; T211-L255 HydrophobicContact CG2-CD1 3.94Å; L213-L255 HydrophobicContact CD2-CD1 4.14Å; L247-L255 HydrophobicContact CD2-CD1 3.81Å; K251-L255 WeakPolarHBondContact O-CB 3.08Å; K251-L255 WeakPolarHBondContact O-CD1 3.27Å; K251-L255 VanDerWaalsContact O-CG 3.3Å; K251-L255 WeakPolarHBondContact O-CG 3.38Å; K251-L255 PolarHBondContact O-N 2.87Å; M252-L255 PolarHBondContact O-N 2.99Å; H253-L255 VanDerWaalsContact C-N 3.33Å; H253-L255 PolarHBondContact O-N 3.41Å; L255-T257 PolarHBondContact O-N 2.72Å; L255-Q258 WeakPolarHBondContact O-CG 3.31Å; L255-Q258 PolarHBondContact O-NE2 3.36Å; L255-Q258 VanDerWaalsContact O-NE2 3.09Å; L255-Y263 VanDerWaalsContact O-CE2 3.27Å; L255-Y263 WeakPolarHBondContact O-CE2 3.26Å; L255-I406 HydrophobicContact CB-CD1 3.9Å; L255-I406 HydrophobicContact CD1-CD1 4.48Å
256	S	96.9	Very high	95.8	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-78.5	-17.1	-172.9	61.8	0	0	0	0	114.3	M252 H253 V286	M252-S256 WeakPolarHBondContact O-CB 3.39Å; M252-S256 PolarHBondContact O-N 3.31Å; M252-S256 PolarHBondContact O-OG 3.32Å; H253-S256 PolarHBondContact O-N 2.93Å; H253-S256 PolarHBondContact O-OG 3.45Å; S256-V286 PolarHBondContact OG-N 2.81Å; S256-V286 VanDerWaalsContact OG-N 3.13Å
257	T	95.5	Very high	95.8	Very high	36 Å²	36	25.2 Å²	25.2	22%	0.221	14%	0.143	C	C	.	.	H	α-helix	trans	-114.9	5.6	-176.4	68.5	0	0	0	0	114.6	H253 L255 S259	H253-T257 PolarHBondContact CE1-OG1 3.41Å; H253-T257 WeakPolarHBondContact O-CB 3.25Å; H253-T257 WeakPolarHBondContact O-CG2 3.44Å; H253-T257 PolarHBondContact O-N 3.15Å; H253-T257 PolarHBondContact O-OG1 2.95Å; L255-T257 PolarHBondContact O-N 2.72Å; T257-S259 PolarHBondContact O-N 3.29Å
258	Q	92	Very high	95.8	Very high	11 Å²	11	27.7 Å²	27.7	5%	0.051	16%	0.155	C	C	.	.	S	Bend	trans	-67.4	-29.6	-174.4	62.9	-177.6	-58.8	0	0	114.8	P190 L191 L254 L255 Y263	P190-Q258 HydrophobicContact CB-CB 4.24Å; L191-Q258 HydrophobicContact CB-CB 4.36Å; L191-Q258 WeakPolarHBondContact CD1-O 3.3Å; L254-Q258 WeakPolarHBondContact O-CB 3.47Å; L254-Q258 PolarHBondContact O-N 2.88Å; L255-Q258 WeakPolarHBondContact O-CG 3.31Å; L255-Q258 PolarHBondContact O-NE2 3.36Å; L255-Q258 VanDerWaalsContact O-NE2 3.09Å; Q258-Y263 HydrophobicContact CG-CE2 4.45Å; Q258-Y263 PolarHBondContact NE2-OH 3.07Å
259	S	83.7	Confident	95.8	Very high	46 Å²	46	27.8 Å²	27.8	32%	0.322	16%	0.155	S	C	.	.	S	Bend	trans	-139.6	170.2	-171	88.4	0	0	0	0	112.8	T257 I261	T257-S259 PolarHBondContact O-N 3.29Å; S259-I261 PolarHBondContact O-N 2.85Å; S259-I261 PolarHBondContact OG-N 2.77Å; S259-I261 VanDerWaalsContact OG-N 3.07Å; S259-I261 PolarHBondContact OG-O 3.02Å
260	S	83.9	Confident	95.8	Very high	122 Å²	122	28.5 Å²	28.5	85%	0.853	16%	0.159	S	C	*	.	S	Bend	trans	-71.4	-17.8	171.7	52.5	0	0	0	0	113.1	P262	S260-P262 WeakPolarHBondContact O-CD 3.37Å
261	I	89.3	Confident	95.8	Very high	73 Å²	73	25.9 Å²	25.9	37%	0.374	15%	0.147	S	C	.	.	S	Bend	trans	-76.2	117.5	176.2	-55.7	173.8	0	0	0	107.4	S259 P408	S259-I261 PolarHBondContact O-N 2.85Å; S259-I261 PolarHBondContact OG-N 2.77Å; S259-I261 VanDerWaalsContact OG-N 3.07Å; S259-I261 PolarHBondContact OG-O 3.02Å; I261-P408 HydrophobicContact CG2-CB 4.01Å
262	P	93.4	Very high	95.8	Very high	41 Å²	41	26.8 Å²	26.8	27%	0.266	15%	0.149	S	C	.	.			trans	-68.2	159.6	177.6	25.8	-29.4	0	0	0	111.1	S260 M283 T409	S260-P262 WeakPolarHBondContact O-CD 3.37Å; P262-M283 HydrophobicContact CB-CB 4.2Å; P262-M283 HydrophobicContact CB-CG 3.89Å; P262-M283 HydrophobicContact CG-CG 4.38Å; P262-T409 VanDerWaalsContact C-OG1 3.27Å; P262-T409 WeakPolarHBondContact O-CB 3.47Å; P262-T409 PolarHBondContact O-N 2.82Å; P262-T409 PolarHBondContact O-OG1 3.49Å
263	Y	96.8	Very high	95.7	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	150.3	172.5	-73.5	-100.7	0	0	0	110.5	D171 L255 Q258 M283 F284 I406 I407 P408	D171-Y263 PolarHBondContact OD2-OH 3Å; L255-Y263 VanDerWaalsContact O-CE2 3.27Å; L255-Y263 WeakPolarHBondContact O-CE2 3.26Å; Q258-Y263 HydrophobicContact CG-CE2 4.45Å; Q258-Y263 PolarHBondContact NE2-OH 3.07Å; Y263-M283 CarbonylContact O-C 3.58Å; Y263-M283 VanDerWaalsContact O-CA 3.29Å; Y263-M283 WeakPolarHBondContact O-CA 3.13Å; Y263-M283 PolarHBondContact O-N 3.02Å; Y263-F284 PolarHBondContact O-N 3.24Å; Y263-I406 HydrophobicContact CD1-CB 4.14Å; Y263-I406 HydrophobicContact CD1-CD1 4Å; Y263-I406 HydrophobicContact CD1-CG1 4.26Å; Y263-I406 HydrophobicContact CE1-CD1 4.39Å; Y263-I406 HydrophobicContact CG-CD1 4.49Å; Y263-I407 CarbonylContact C-O 3.5Å; Y263-I407 WeakPolarHBondContact CA-O 3.12Å; Y263-I407 VanDerWaalsContact CD1-C 3.44Å; Y263-P408 HydrophobicContact CD1-CG 4.26Å; Y263-P408 HydrophobicContact CE1-CG 3.68Å
264	V	98	Very high	95.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.1	162.9	176.7	0	0	0	0	107.7	D280 Y281 I406 I407 T409 I412	V264-D280 HydrophobicContact CG1-CB 4.06Å; V264-Y281 WeakPolarHBondContact CA-O 3.32Å; V264-I406 VanDerWaalsContact O-CA 3.27Å; V264-I406 WeakPolarHBondContact O-CA 3.26Å; V264-I407 PolarHBondContact N-O 3.04Å; V264-I407 PolarHBondContact O-N 3.02Å; V264-I407 VanDerWaalsContact O-N 3.12Å; V264-T409 HydrophobicContact CG2-CG2 4.01Å; V264-I412 HydrophobicContact CB-CD1 3.86Å; V264-I412 HydrophobicContact CG1-CD1 3.75Å; V264-I412 HydrophobicContact CG2-CD1 4.26Å
265	L	98.6	Very high	95.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.4	164.7	170	71.1	0	0	0	108.3	I267 D280 Y281 F284 F309 M404 I406	L265-I267 HydrophobicContact CD1-CG1 4.44Å; L265-I267 HydrophobicContact CD2-CD1 4.02Å; L265-I267 HydrophobicContact CD2-CG1 4.07Å; L265-I267 HydrophobicContact CG-CG1 4.1Å; L265-D280 CarbonylContact O-C 3.3Å; L265-D280 VanDerWaalsContact O-CA 3.27Å; L265-D280 WeakPolarHBondContact O-CA 3.27Å; L265-Y281 HydrophobicContact CD2-CD2 4.27Å; L265-Y281 PolarHBondContact N-O 3.4Å; L265-Y281 PolarHBondContact O-N 2.89Å; L265-F284 HydrophobicContact CB-CB 3.68Å; L265-F284 HydrophobicContact CB-CD1 4.16Å; L265-F284 HydrophobicContact CB-CD2 3.69Å; L265-F284 HydrophobicContact CB-CE2 4.32Å; L265-F284 HydrophobicContact CB-CG 3.57Å; L265-F284 HydrophobicContact CD2-CD2 3.66Å; L265-F284 HydrophobicContact CD2-CE2 3.67Å; L265-F284 HydrophobicContact CD2-CG 4.4Å; L265-F284 HydrophobicContact CD2-CZ 4.44Å; L265-F284 HydrophobicContact CG-CD2 4.19Å; L265-F284 HydrophobicContact CG-CE2 4.39Å; L265-F284 HydrophobicContact CG-CG 4.47Å; L265-F309 HydrophobicContact CD2-CE2 3.97Å; L265-M404 HydrophobicContact CD1-CB 4.13Å; L265-M404 HydrophobicContact CD1-CE 4.1Å; L265-M404 HydrophobicContact CD2-CE 4.13Å; L265-I406 HydrophobicContact CB-CG2 4.24Å; L265-I406 HydrophobicContact CD1-CG2 3.99Å
266	R	98.6	Very high	95.7	Very high	24 Å²	24	43.9 Å²	43.9	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.7	167.2	174.4	161.9	-68.6	-174.1	-2.6	109	F210 E268 D280 K405	F210-R266 HydrophobicContact CE1-CB 4.35Å; R266-E268 WeakPolarHBondContact CD-OE1 3.49Å; R266-E268 HydrophobicContact CG-CG 3.95Å; R266-D280 WeakPolarHBondContact CA-OD1 3.23Å; R266-D280 WeakPolarHBondContact CB-OD1 3.44Å; R266-D280 WeakPolarHBondContact CG-OD1 3.46Å; R266-D280 IonicContact CZ-OD1 3.18Å; R266-D280 IonicContact CZ-OD2 2.77Å; R266-D280 IonicContact NE-OD1 3.56Å; R266-D280 PolarHBondContact NE-OD1 2.84Å; R266-D280 IonicContact NE-OD2 2.73Å; R266-D280 PolarHBondContact NE-OD2 2.95Å; R266-D280 IonicContact NH2-OD1 2.71Å; R266-D280 IonicContact NH2-OD2 3.68Å; R266-D280 PolarHBondContact NH2-OD2 3.48Å; R266-K405 HydrophobicContact CB-CG 4.22Å; R266-K405 PolarHBondContact N-O 2.79Å; R266-K405 PolarHBondContact O-N 3.24Å
267	I	98.8	Very high	95.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.2	170.6	-66.8	176.7	0	0	0	107.1	L265 L269 H278 A279 Y281 F309 L363 W389 T403 M404	L265-I267 HydrophobicContact CD1-CG1 4.44Å; L265-I267 HydrophobicContact CD2-CD1 4.02Å; L265-I267 HydrophobicContact CD2-CG1 4.07Å; L265-I267 HydrophobicContact CG-CG1 4.1Å; I267-L269 HydrophobicContact CG2-CD1 4.43Å; I267-L269 HydrophobicContact CG2-CD2 3.45Å; I267-L269 VanDerWaalsContact CG2-CD2 3.45Å; I267-L269 HydrophobicContact CG2-CG 3.89Å; I267-H278 CarbonylContact O-C 3.59Å; I267-H278 WeakPolarHBondContact O-CA 3.33Å; I267-H278 WeakPolarHBondContact O-CB 3.19Å; I267-A279 PolarHBondContact N-O 3.09Å; I267-A279 PolarHBondContact O-N 2.86Å; I267-Y281 HydrophobicContact CD1-CD2 4.42Å; I267-Y281 HydrophobicContact CD1-CE2 3.98Å; I267-F309 HydrophobicContact CD1-CE2 3.66Å; I267-F309 HydrophobicContact CD1-CZ 3.65Å; I267-L363 HydrophobicContact CD1-CD1 4.1Å; I267-L363 HydrophobicContact CG1-CD1 4.33Å; I267-L363 HydrophobicContact CG2-CD1 3.73Å; I267-W389 HydrophobicContact CD1-CH2 3.59Å; I267-W389 HydrophobicContact CD1-CZ3 3.72Å; I267-W389 HydrophobicContact CG2-CH2 4.4Å; I267-W389 HydrophobicContact CG2-CZ3 4.24Å; I267-T403 WeakPolarHBondContact CA-O 3.3Å; I267-M404 HydrophobicContact CG1-CG 4.32Å
268	E	98.8	Very high	95.9	Very high	58 Å²	58	47.5 Å²	47.5	27%	0.271	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.8	174	-69.9	173.7	178.1	0	0	109.5	R266 H278 T402 T403 K405	R266-E268 WeakPolarHBondContact CD-OE1 3.49Å; R266-E268 HydrophobicContact CG-CG 3.95Å; E268-H278 HydrophobicContact CG-CB 4.24Å; E268-T402 CarbonylContact O-C 3.51Å; E268-T402 WeakPolarHBondContact O-CA 3.32Å; E268-T403 PolarHBondContact N-O 2.84Å; E268-T403 PolarHBondContact O-N 3.49Å; E268-K405 VanDerWaalsContact CD-CE 3.41Å; E268-K405 WeakPolarHBondContact OE1-CE 3.45Å; E268-K405 IonicContact OE1-NZ 3.71Å; E268-K405 PolarHBondContact OE1-NZ 3.44Å; E268-K405 IonicContact OE2-NZ 2.74Å; E268-K405 PolarHBondContact OE2-NZ 2.71Å
269	L	98.8	Very high	96.2	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.4	-172.1	-51.1	174.5	0	0	0	109	I267 K276 K277 A305 L363 W389 W392 L399 E401 T402	I267-L269 HydrophobicContact CG2-CD1 4.43Å; I267-L269 HydrophobicContact CG2-CD2 3.45Å; I267-L269 VanDerWaalsContact CG2-CD2 3.45Å; I267-L269 HydrophobicContact CG2-CG 3.89Å; L269-K276 VanDerWaalsContact O-CA 3.3Å; L269-K276 WeakPolarHBondContact O-CA 3.48Å; L269-K277 PolarHBondContact N-O 2.95Å; L269-K277 PolarHBondContact O-N 2.76Å; L269-A305 HydrophobicContact CD1-CB 3.97Å; L269-L363 HydrophobicContact CD2-CD2 3.76Å; L269-W389 HydrophobicContact CD1-CB 3.78Å; L269-W389 HydrophobicContact CD1-CD2 3.67Å; L269-W389 HydrophobicContact CD1-CE3 4.27Å; L269-W389 HydrophobicContact CD1-CG 3.42Å; L269-W389 VanDerWaalsContact CD1-CG 3.42Å; L269-W392 HydrophobicContact CB-CE3 4.01Å; L269-W392 HydrophobicContact CB-CZ3 3.53Å; L269-W392 HydrophobicContact CD1-CE3 4.02Å; L269-W392 HydrophobicContact CD1-CZ3 4.41Å; L269-L399 HydrophobicContact CB-CD1 4.03Å; L269-L399 HydrophobicContact CD1-CD1 4.05Å; L269-L399 HydrophobicContact CD2-CD1 3.75Å; L269-L399 HydrophobicContact CG-CD1 4.15Å; L269-E401 CarbonylContact C-O 3.59Å; L269-E401 WeakPolarHBondContact CA-O 3.5Å; L269-T402 HydrophobicContact CD2-CG2 3.81Å
270	T	98.7	Very high	96.9	Very high	15 Å²	15	45.1 Å²	45.1	9%	0.092	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.4	173.3	-52.6	0	0	0	0	110	N275 K276 K400 E401	T270-N275 WeakPolarHBondContact CA-O 3.44Å; T270-K276 HydrophobicContact CG2-CG 4.13Å; T270-K400 WeakPolarHBondContact O-CB 3.39Å; T270-K400 PolarHBondContact O-N 2.84Å; T270-E401 PolarHBondContact N-O 3.34Å; T270-E401 PolarHBondContact O-N 2.92Å; T270-E401 VanDerWaalsContact O-N 3.11Å
271	D	98.4	Very high	97.6	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	20%	0.198	C	C	.	.			trans	-87.3	176.8	176	80.3	2.8	0	0	0	111.7	Q273 G274 N275 W392 H393 Y397	D271-Q273 PolarHBondContact O-N 3.02Å; D271-Q273 VanDerWaalsContact OD1-C 3.28Å; D271-Q273 VanDerWaalsContact OD1-CA 3.29Å; D271-Q273 WeakPolarHBondContact OD1-CA 3.29Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.47Å; D271-Q273 PolarHBondContact OD1-N 2.89Å; D271-Q273 PolarHBondContact OD2-OE1 3.2Å; D271-G274 PolarHBondContact O-N 2.87Å; D271-G274 PolarHBondContact OD1-N 2.88Å; D271-N275 PolarHBondContact N-O 3.12Å; D271-N275 PolarHBondContact OD1-N 3.43Å; D271-N275 WeakPolarHBondContact OD2-CB 3.35Å; D271-N275 PolarHBondContact OD2-ND2 2.6Å; D271-W392 HydrophobicContact CB-CH2 3.66Å; D271-W392 HydrophobicContact CB-CZ2 3.95Å; D271-W392 HydrophobicContact CB-CZ3 4.43Å; D271-H393 IonicContact OD2-NE2 3.85Å; D271-Y397 HydrophobicContact CB-CE1 4.09Å; D271-Y397 WeakPolarHBondContact CB-OH 3.38Å
272	W	98	Very high	98	Very high	70 Å²	70	35.9 Å²	35.9	27%	0.265	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-9	180	-66.9	85.9	0	0	0	113.8	Y367 Y368 P369 G370 G371 Y397 S398 K400	W272-Y367 AromaticContact CH2-CE1 3.85Å; W272-Y367 HydrophobicContact CH2-CE1 3.85Å; W272-Y367 AromaticContact CH2-CZ 3.91Å; W272-Y367 WeakPolarHBondContact CH2-OH 3.48Å; W272-Y367 HydrophobicContact CZ2-CE1 4Å; W272-Y367 AromaticContact CZ2-CZ 3.93Å; W272-Y368 WeakPolarHBondContact CZ2-O 3.41Å; W272-P369 VanDerWaalsContact CH2-CA 3.49Å; W272-P369 HydrophobicContact CH2-CB 4.25Å; W272-G370 VanDerWaalsContact CH2-N 3.27Å; W272-G371 VanDerWaalsContact NE1-N 3.17Å; W272-Y397 AromaticContact CD1-CZ 3.79Å; W272-Y397 PolarHBondContact N-OH 2.78Å; W272-S398 PolarHBondContact NE1-O 3.19Å; W272-K400 HydrophobicContact CD2-CB 3.82Å; W272-K400 HydrophobicContact CD2-CD 4.31Å; W272-K400 HydrophobicContact CD2-CG 4Å; W272-K400 HydrophobicContact CE3-CB 4.31Å; W272-K400 HydrophobicContact CE3-CD 4.02Å; W272-K400 HydrophobicContact CE3-CG 3.97Å; W272-K400 HydrophobicContact CG-CB 4.09Å; W272-K400 HydrophobicContact CH2-CG 4.04Å; W272-K400 HydrophobicContact CZ2-CB 4.1Å; W272-K400 HydrophobicContact CZ2-CG 4.09Å; W272-K400 HydrophobicContact CZ3-CD 4.28Å; W272-K400 HydrophobicContact CZ3-CG 4Å
273	Q	97.7	Very high	98.1	Very high	129 Å²	129	37.9 Å²	37.9	60%	0.603	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-4.4	173.6	-68.6	67.4	53.6	0	0	111.7	D271 Y397	D271-Q273 PolarHBondContact O-N 3.02Å; D271-Q273 VanDerWaalsContact OD1-C 3.28Å; D271-Q273 VanDerWaalsContact OD1-CA 3.29Å; D271-Q273 WeakPolarHBondContact OD1-CA 3.29Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.47Å; D271-Q273 PolarHBondContact OD1-N 2.89Å; D271-Q273 PolarHBondContact OD2-OE1 3.2Å; Q273-Y397 PolarHBondContact OE1-OH 2.92Å
274	G	97.4	Very high	98.2	Very high	47 Å²	47	37.8 Å²	37.8	49%	0.485	19%	0.187	S	C	.	.			trans	84.1	7.4	-178.6	0	0	0	0	0	114	D271	D271-G274 PolarHBondContact O-N 2.87Å; D271-G274 PolarHBondContact OD1-N 2.88Å
275	N	98.3	Very high	98.2	Very high	91 Å²	91	42.1 Å²	42.1	49%	0.487	21%	0.206	S	C	.	.			trans	-70.3	138.4	172.7	-56.3	-56.5	0	0	0	109.1	T270 D271 W392	T270-N275 WeakPolarHBondContact CA-O 3.44Å; D271-N275 PolarHBondContact N-O 3.12Å; D271-N275 PolarHBondContact OD1-N 3.43Å; D271-N275 WeakPolarHBondContact OD2-CB 3.35Å; D271-N275 PolarHBondContact OD2-ND2 2.6Å; N275-W392 HydrophobicContact CB-CZ2 4.07Å; N275-W392 WeakPolarHBondContact O-CH2 3.46Å
276	K	98.4	Very high	98.2	Very high	148 Å²	148	42.1 Å²	42.1	64%	0.643	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.2	179.9	-62.4	-173	177.3	-175.1	0	109.9	L269 T270	L269-K276 VanDerWaalsContact O-CA 3.3Å; L269-K276 WeakPolarHBondContact O-CA 3.48Å; T270-K276 HydrophobicContact CG2-CG 4.13Å
277	K	98.4	Very high	98.2	Very high	60 Å²	60	41.5 Å²	41.5	26%	0.261	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	161.5	174.5	-67.2	-157.2	170.1	-166.9	0	111	L269 D304 A305 W392	L269-K277 PolarHBondContact N-O 2.95Å; L269-K277 PolarHBondContact O-N 2.76Å; K277-D304 WeakPolarHBondContact CA-OD1 3.35Å; K277-D304 HydrophobicContact CD-CB 4.42Å; K277-D304 VanDerWaalsContact CD-O 3.26Å; K277-D304 WeakPolarHBondContact CD-O 3.46Å; K277-D304 PolarHBondContact NZ-O 3.32Å; K277-A305 HydrophobicContact CB-CB 3.82Å; K277-W392 HydrophobicContact CB-CD2 4.34Å; K277-W392 HydrophobicContact CB-CE3 4.23Å; K277-W392 HydrophobicContact CB-CH2 4.32Å; K277-W392 HydrophobicContact CB-CZ2 4.45Å; K277-W392 HydrophobicContact CB-CZ3 4.23Å; K277-W392 HydrophobicContact CD-CD2 3.61Å; K277-W392 VanDerWaalsContact CD-CE2 3.46Å; K277-W392 HydrophobicContact CD-CE3 4.31Å; K277-W392 HydrophobicContact CD-CG 3.75Å; K277-W392 HydrophobicContact CD-CZ2 4.03Å; K277-W392 VanDerWaalsContact CE-NE1 3.31Å; K277-W392 HydrophobicContact CG-CD2 4.09Å; K277-W392 HydrophobicContact CG-CE3 4.41Å; K277-W392 HydrophobicContact CG-CH2 4.12Å; K277-W392 HydrophobicContact CG-CZ2 3.79Å; K277-W392 HydrophobicContact CG-CZ3 4.43Å
278	H	98.3	Very high	98.1	Very high	55 Å²	55	43.9 Å²	43.9	26%	0.255	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	158.6	176.7	71.9	-62.9	0	0	0	113.2	I267 E268 D280 G303 D304 A305	I267-H278 CarbonylContact O-C 3.59Å; I267-H278 WeakPolarHBondContact O-CA 3.33Å; I267-H278 WeakPolarHBondContact O-CB 3.19Å; E268-H278 HydrophobicContact CG-CB 4.24Å; H278-D280 IonicContact CD2-OD1 3.48Å; H278-D280 IonicContact CD2-OD2 2.67Å; H278-G303 CarbonylContact O-C 3.43Å; H278-G303 WeakPolarHBondContact O-CA 3.33Å; H278-D304 IonicContact CE1-OD1 2.81Å; H278-D304 IonicContact CG-OD1 2.79Å; H278-D304 PolarHBondContact N-OD1 3.21Å; H278-D304 IonicContact ND1-OD1 2.74Å; H278-D304 PolarHBondContact ND1-OD1 2.79Å; H278-D304 PolarHBondContact O-N 3.27Å; H278-D304 VanDerWaalsContact O-N 3.09Å; H278-A305 VanDerWaalsContact O-CB 3.23Å; H278-A305 WeakPolarHBondContact O-CB 3.35Å; H278-A305 PolarHBondContact O-N 2.99Å
279	A	98.4	Very high	98.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	126.8	171.3	0	0	0	0	0	109.3	I267 Y281 Y300 A305 W389	I267-A279 PolarHBondContact N-O 3.09Å; I267-A279 PolarHBondContact O-N 2.86Å; A279-Y281 HydrophobicContact CB-CE2 3.85Å; A279-Y300 HydrophobicContact CB-CE2 3.93Å; A279-A305 HydrophobicContact CB-CB 4.14Å; A279-W389 HydrophobicContact CB-CH2 4.31Å; A279-W389 HydrophobicContact CB-CZ2 3.65Å
280	D	98.3	Very high	98.1	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.032	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.2	-179.4	-69.7	-18.6	0	0	0	110.7	V264 L265 R266 H278 Y300 F301 G302	V264-D280 HydrophobicContact CG1-CB 4.06Å; L265-D280 CarbonylContact O-C 3.3Å; L265-D280 VanDerWaalsContact O-CA 3.27Å; L265-D280 WeakPolarHBondContact O-CA 3.27Å; R266-D280 WeakPolarHBondContact CA-OD1 3.23Å; R266-D280 WeakPolarHBondContact CB-OD1 3.44Å; R266-D280 WeakPolarHBondContact CG-OD1 3.46Å; R266-D280 IonicContact CZ-OD1 3.18Å; R266-D280 IonicContact CZ-OD2 2.77Å; R266-D280 IonicContact NE-OD1 3.56Å; R266-D280 PolarHBondContact NE-OD1 2.84Å; R266-D280 IonicContact NE-OD2 2.73Å; R266-D280 PolarHBondContact NE-OD2 2.95Å; R266-D280 IonicContact NH2-OD1 2.71Å; R266-D280 IonicContact NH2-OD2 3.68Å; R266-D280 PolarHBondContact NH2-OD2 3.48Å; H278-D280 IonicContact CD2-OD1 3.48Å; H278-D280 IonicContact CD2-OD2 2.67Å; D280-Y300 WeakPolarHBondContact O-CD2 3.4Å; D280-F301 HydrophobicContact CB-CB 3.86Å; D280-F301 HydrophobicContact CB-CD1 4.03Å; D280-F301 HydrophobicContact CB-CG 4.43Å; D280-F301 WeakPolarHBondContact O-CA 3.45Å; D280-F301 WeakPolarHBondContact O-CB 3.36Å; D280-F301 PolarHBondContact O-N 3.46Å; D280-G302 PolarHBondContact N-O 3.37Å; D280-G302 PolarHBondContact O-N 2.84Å
281	Y	98.3	Very high	98.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.4	-179.8	-63.8	-89.4	0	0	0	110.7	V264 L265 I267 A279 Y297 Y300 D307 F309 W389	V264-Y281 WeakPolarHBondContact CA-O 3.32Å; L265-Y281 HydrophobicContact CD2-CD2 4.27Å; L265-Y281 PolarHBondContact N-O 3.4Å; L265-Y281 PolarHBondContact O-N 2.89Å; I267-Y281 HydrophobicContact CD1-CD2 4.42Å; I267-Y281 HydrophobicContact CD1-CE2 3.98Å; A279-Y281 HydrophobicContact CB-CE2 3.85Å; Y281-Y297 HydrophobicContact CD1-CD1 4.27Å; Y281-Y297 AromaticContact CD1-CD2 3.71Å; Y281-Y297 HydrophobicContact CD1-CD2 3.71Å; Y281-Y297 HydrophobicContact CD1-CE1 4.16Å; Y281-Y297 AromaticContact CD1-CE2 3.59Å; Y281-Y297 HydrophobicContact CD1-CE2 3.59Å; Y281-Y297 HydrophobicContact CD1-CG 4.06Å; Y281-Y297 AromaticContact CD1-CZ 3.82Å; Y281-Y297 HydrophobicContact CE1-CE1 4.42Å; Y281-Y297 HydrophobicContact CE1-CE2 4.04Å; Y281-Y297 AromaticContact CE1-CZ 3.94Å; Y281-Y297 HydrophobicContact CG-CD2 4.5Å; Y281-Y300 HydrophobicContact CD1-CD2 4.24Å; Y281-Y300 AromaticContact CE1-CD2 3.84Å; Y281-Y300 HydrophobicContact CE1-CD2 3.84Å; Y281-D307 VanDerWaalsContact CE1-OD1 3.31Å; Y281-D307 WeakPolarHBondContact CE1-OD1 3.42Å; Y281-D307 PolarHBondContact OH-OD1 3.4Å; Y281-F309 AromaticContact CD1-CD2 4Å; Y281-F309 HydrophobicContact CD1-CD2 4Å; Y281-F309 AromaticContact CD2-CD2 4Å; Y281-F309 HydrophobicContact CD2-CD2 4Å; Y281-F309 HydrophobicContact CD2-CE2 4.2Å; Y281-F309 HydrophobicContact CE1-CB 3.7Å; Y281-F309 AromaticContact CE1-CD2 3.6Å; Y281-F309 HydrophobicContact CE1-CD2 3.6Å; Y281-F309 HydrophobicContact CE1-CG 4.03Å; Y281-F309 AromaticContact CE2-CD2 3.6Å; Y281-F309 HydrophobicContact CE2-CD2 3.6Å; Y281-F309 AromaticContact CE2-CE2 3.94Å; Y281-F309 HydrophobicContact CE2-CE2 3.94Å; Y281-F309 HydrophobicContact CE2-CG 4.39Å; Y281-F309 HydrophobicContact CG-CD2 4.17Å; Y281-F309 AromaticContact CZ-CD2 3.37Å; Y281-F309 AromaticContact CZ-CG 3.79Å; Y281-F309 PolarHBondContact OH-N 3.08Å; Y281-W389 HydrophobicContact CE2-CH2 4.07Å; Y281-W389 HydrophobicContact CE2-CZ2 4.43Å; Y281-W389 WeakPolarHBondContact OH-CH2 3.44Å; Y281-W389 WeakPolarHBondContact OH-CZ2 3.42Å
282	A	96.9	Very high	98.1	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	145.8	-176.1	0	0	0	0	0	112.3	F284 Y297 A298 Y299 F301	A282-F284 VanDerWaalsContact C-N 3.27Å; A282-F284 PolarHBondContact O-N 2.72Å; A282-Y297 WeakPolarHBondContact O-CB 3.31Å; A282-A298 PolarHBondContact O-N 2.95Å; A282-Y299 HydrophobicContact CB-CD1 4.17Å; A282-Y299 HydrophobicContact CB-CD2 4.2Å; A282-Y299 HydrophobicContact CB-CE1 3.79Å; A282-Y299 HydrophobicContact CB-CE2 3.83Å; A282-Y299 HydrophobicContact CB-CG 4.35Å; A282-Y299 PolarHBondContact N-O 2.82Å; A282-F301 HydrophobicContact CB-CB 4.3Å; A282-F301 HydrophobicContact CB-CD2 4.14Å
283	M	96.4	Very high	98.2	Very high	84 Å²	84	50.8 Å²	50.8	41%	0.414	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.1	38.7	178.2	-51	-179.5	65.6	0	0	113.4	P262 Y263 K285 A298	P262-M283 HydrophobicContact CB-CB 4.2Å; P262-M283 HydrophobicContact CB-CG 3.89Å; P262-M283 HydrophobicContact CG-CG 4.38Å; Y263-M283 CarbonylContact O-C 3.58Å; Y263-M283 VanDerWaalsContact O-CA 3.29Å; Y263-M283 WeakPolarHBondContact O-CA 3.13Å; Y263-M283 PolarHBondContact O-N 3.02Å; M283-K285 PolarHBondContact O-N 2.78Å; M283-A298 HydrophobicContact CB-CB 3.76Å; M283-A298 HydrophobicContact CG-CB 3.85Å; M283-A298 HydrophobicContact SD-CB 3.5Å; M283-A298 VanDerWaalsContact SD-CB 3.5Å
284	F	98.1	Very high	98.2	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	131.4	177.9	170.9	-99.9	0	0	0	111.6	L213 Y263 L265 A282 V286 L295 I406	L213-F284 HydrophobicContact CD1-CE1 3.93Å; L213-F284 HydrophobicContact CD1-CZ 4.25Å; Y263-F284 PolarHBondContact O-N 3.24Å; L265-F284 HydrophobicContact CB-CB 3.68Å; L265-F284 HydrophobicContact CB-CD1 4.16Å; L265-F284 HydrophobicContact CB-CD2 3.69Å; L265-F284 HydrophobicContact CB-CE2 4.32Å; L265-F284 HydrophobicContact CB-CG 3.57Å; L265-F284 HydrophobicContact CD2-CD2 3.66Å; L265-F284 HydrophobicContact CD2-CE2 3.67Å; L265-F284 HydrophobicContact CD2-CG 4.4Å; L265-F284 HydrophobicContact CD2-CZ 4.44Å; L265-F284 HydrophobicContact CG-CD2 4.19Å; L265-F284 HydrophobicContact CG-CE2 4.39Å; L265-F284 HydrophobicContact CG-CG 4.47Å; A282-F284 VanDerWaalsContact C-N 3.27Å; A282-F284 PolarHBondContact O-N 2.72Å; F284-V286 HydrophobicContact CE1-CG2 3.98Å; F284-V286 HydrophobicContact CE2-CG2 4.29Å; F284-V286 HydrophobicContact CZ-CG2 3.53Å; F284-L295 HydrophobicContact CD2-CD1 3.76Å; F284-L295 HydrophobicContact CE2-CD1 3.37Å; F284-L295 HydrophobicContact CZ-CD1 4.46Å; F284-I406 HydrophobicContact CD1-CG2 3.66Å; F284-I406 HydrophobicContact CE1-CG2 3.84Å
285	K	98.1	Very high	98.3	Very high	91 Å²	91	45.4 Å²	45.4	40%	0.396	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	142.3	175.3	-67.2	179.3	-176.6	175.7	0	111.1	M283 T296	M283-K285 PolarHBondContact O-N 2.78Å; K285-T296 WeakPolarHBondContact CB-OG1 3.45Å; K285-T296 PolarHBondContact N-O 2.86Å; K285-T296 PolarHBondContact O-N 3.02Å
286	V	98.6	Very high	98.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.7	164.6	179.8	0	0	0	0	107.6	M252 H253 S256 F284 Y293 R294 W354	M252-V286 HydrophobicContact CB-CB 4.36Å; M252-V286 HydrophobicContact CB-CG2 3.97Å; H253-V286 HydrophobicContact CB-CB 4.44Å; H253-V286 HydrophobicContact CB-CG1 4.32Å; H253-V286 PolarHBondContact ND1-O 2.83Å; S256-V286 PolarHBondContact OG-N 2.81Å; S256-V286 VanDerWaalsContact OG-N 3.13Å; F284-V286 HydrophobicContact CE1-CG2 3.98Å; F284-V286 HydrophobicContact CE2-CG2 4.29Å; F284-V286 HydrophobicContact CZ-CG2 3.53Å; V286-Y293 HydrophobicContact CG1-CD1 4.15Å; V286-Y293 HydrophobicContact CG1-CG 4.44Å; V286-R294 CarbonylContact C-O 3.55Å; V286-R294 WeakPolarHBondContact CA-O 3.38Å; V286-W354 HydrophobicContact CG2-CZ2 4Å
287	G	98.4	Very high	98.3	Very high	12 Å²	12	37.3 Å²	37.3	12%	0.124	19%	0.192	C	C	.	.			trans	-66.1	168.5	179	0	0	0	0	0	113	H253 Y293 R294	H253-G287 VanDerWaalsContact ND1-C 3.32Å; H253-G287 PolarHBondContact ND1-O 3.13Å; G287-Y293 WeakPolarHBondContact O-CA 3.35Å; G287-Y293 WeakPolarHBondContact O-CD1 3.45Å; G287-R294 PolarHBondContact N-O 3.08Å
288	P	98.4	Very high	98.3	Very high	50 Å²	50	37 Å²	37	33%	0.325	20%	0.201	S	C	.	.			trans	-69.9	165.9	173.1	31.7	-36.4	0	0	0	111.5	V290 D291 M292 Y293	P288-V290 HydrophobicContact CB-CG1 4.15Å; P288-V290 HydrophobicContact CG-CG1 3.78Å; P288-V290 PolarHBondContact O-N 3.14Å; P288-D291 HydrophobicContact CG-CB 4.19Å; P288-D291 CarbonylContact O-C 3.6Å; P288-D291 WeakPolarHBondContact O-CA 3.09Å; P288-D291 PolarHBondContact O-N 2.87Å; P288-M292 PolarHBondContact O-N 3.2Å; P288-Y293 PolarHBondContact O-N 2.86Å; P288-Y293 VanDerWaalsContact O-N 3.14Å
289	E	98.6	Very high	98.2	Very high	62 Å²	62	40.3 Å²	40.3	29%	0.29	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-57.4	-34.8	178	-171.7	167.8	-155	0	0	113.7	W227 K231 D291 M292 Y293	W227-E289 HydrophobicContact CZ2-CG 4.37Å; W227-E289 PolarHBondContact NE1-OE1 3.32Å; W227-E289 VanDerWaalsContact NE1-OE1 3.15Å; K231-E289 WeakPolarHBondContact CD-OE1 3.39Å; K231-E289 WeakPolarHBondContact CE-OE2 3.27Å; K231-E289 VanDerWaalsContact NZ-CD 3.35Å; K231-E289 IonicContact NZ-OE1 3.43Å; K231-E289 PolarHBondContact NZ-OE1 2.87Å; K231-E289 IonicContact NZ-OE2 3.36Å; K231-E289 PolarHBondContact NZ-OE2 3.43Å; E289-D291 PolarHBondContact O-N 3.3Å; E289-M292 WeakPolarHBondContact O-CA 3.14Å; E289-M292 PolarHBondContact O-N 2.68Å; E289-Y293 HydrophobicContact CB-CE1 4.06Å; E289-Y293 HydrophobicContact CB-CE2 4.03Å; E289-Y293 WeakPolarHBondContact CB-OH 3.34Å; E289-Y293 HydrophobicContact CG-CE2 3.85Å
290	V	98.5	Very high	98.2	Very high	133 Å²	133	43.2 Å²	43.2	81%	0.806	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-63.5	-24.3	177.1	67.5	0	0	0	0	112.7	P288	P288-V290 HydrophobicContact CB-CG1 4.15Å; P288-V290 HydrophobicContact CG-CG1 3.78Å; P288-V290 PolarHBondContact O-N 3.14Å
291	D	98.8	Very high	98	Very high	51 Å²	51	45.6 Å²	45.6	27%	0.273	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-104.5	24.7	171.3	-168.1	31.3	0	0	0	111.6	P288 E289 Y293 R294 Q330	P288-D291 HydrophobicContact CG-CB 4.19Å; P288-D291 CarbonylContact O-C 3.6Å; P288-D291 WeakPolarHBondContact O-CA 3.09Å; P288-D291 PolarHBondContact O-N 2.87Å; E289-D291 PolarHBondContact O-N 3.3Å; D291-Y293 VanDerWaalsContact C-N 3.26Å; D291-Y293 PolarHBondContact O-N 3.32Å; D291-R294 PolarHBondContact O-N 2.96Å; D291-R294 IonicContact OD1-CZ 2.69Å; D291-R294 IonicContact OD1-NE 3.08Å; D291-R294 PolarHBondContact OD1-NE 2.92Å; D291-R294 IonicContact OD1-NH2 2.86Å; D291-R294 PolarHBondContact OD1-NH2 3.4Å; D291-R294 WeakPolarHBondContact OD2-CB 3.39Å; D291-R294 IonicContact OD2-CZ 2.78Å; D291-R294 IonicContact OD2-NE 3.36Å; D291-R294 PolarHBondContact OD2-NE 2.77Å; D291-R294 IonicContact OD2-NH2 3.79Å; D291-Q330 PolarHBondContact OD1-NE2 3.4Å
292	M	98.8	Very high	97.8	Very high	45 Å²	45	46.7 Å²	46.7	22%	0.222	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	39.5	174.7	-52.9	-57.5	-177	0	0	113.7	W227 P288 E289 R294 Q330 F331 K336	W227-M292 HydrophobicContact CH2-CB 4Å; W227-M292 HydrophobicContact CH2-SD 4.1Å; W227-M292 HydrophobicContact CZ2-SD 4.09Å; P288-M292 PolarHBondContact O-N 3.2Å; E289-M292 WeakPolarHBondContact O-CA 3.14Å; E289-M292 PolarHBondContact O-N 2.68Å; M292-R294 PolarHBondContact O-N 2.97Å; M292-Q330 HydrophobicContact CB-CB 3.89Å; M292-Q330 HydrophobicContact CB-CG 3.98Å; M292-F331 VanDerWaalsContact O-CB 3.29Å; M292-F331 WeakPolarHBondContact O-CB 3.31Å; M292-F331 PolarHBondContact O-N 2.67Å; M292-K336 HydrophobicContact SD-CD 4.35Å; M292-K336 WeakPolarHBondContact SD-CE 3.43Å; M292-K336 PolarHBondContact SD-NZ 3.06Å
293	Y	98.9	Very high	97.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	38.5	178.4	-57.6	-68.6	0	0	0	114.1	W227 K231 N249 E250 H253 V286 G287 P288 E289 D291 L295 W354	W227-Y293 AromaticContact CH2-CD2 3.72Å; W227-Y293 HydrophobicContact CH2-CD2 3.72Å; W227-Y293 HydrophobicContact CH2-CE2 4.28Å; W227-Y293 AromaticContact CZ2-CD2 3.52Å; W227-Y293 HydrophobicContact CZ2-CD2 3.52Å; W227-Y293 AromaticContact CZ2-CE2 3.62Å; W227-Y293 HydrophobicContact CZ2-CE2 3.62Å; K231-Y293 HydrophobicContact CB-CE2 4.21Å; K231-Y293 WeakPolarHBondContact CD-OH 3.31Å; K231-Y293 WeakPolarHBondContact CE-OH 3.34Å; K231-Y293 HydrophobicContact CG-CE2 4.34Å; K231-Y293 VanDerWaalsContact CG-OH 3.27Å; K231-Y293 WeakPolarHBondContact CG-OH 3.21Å; N249-Y293 HydrophobicContact CB-CD1 3.62Å; N249-Y293 HydrophobicContact CB-CD2 3.62Å; N249-Y293 HydrophobicContact CB-CE1 3.9Å; N249-Y293 HydrophobicContact CB-CE2 3.9Å; N249-Y293 HydrophobicContact CB-CG 3.47Å; N249-Y293 VanDerWaalsContact CB-CG 3.47Å; E250-Y293 HydrophobicContact CB-CE1 4.27Å; E250-Y293 WeakPolarHBondContact OE2-CE1 3.31Å; E250-Y293 PolarHBondContact OE2-OH 3.28Å; H253-Y293 HydrophobicContact CB-CD1 4.43Å; V286-Y293 HydrophobicContact CG1-CD1 4.15Å; V286-Y293 HydrophobicContact CG1-CG 4.44Å; G287-Y293 WeakPolarHBondContact O-CA 3.35Å; G287-Y293 WeakPolarHBondContact O-CD1 3.45Å; P288-Y293 PolarHBondContact O-N 2.86Å; P288-Y293 VanDerWaalsContact O-N 3.14Å; E289-Y293 HydrophobicContact CB-CE1 4.06Å; E289-Y293 HydrophobicContact CB-CE2 4.03Å; E289-Y293 WeakPolarHBondContact CB-OH 3.34Å; E289-Y293 HydrophobicContact CG-CE2 3.85Å; D291-Y293 VanDerWaalsContact C-N 3.26Å; D291-Y293 PolarHBondContact O-N 3.32Å; Y293-L295 PolarHBondContact O-N 2.8Å; Y293-W354 PolarHBondContact O-NE1 3.44Å
294	R	98.9	Very high	97.8	Very high	64 Å²	64	48.1 Å²	48.1	24%	0.242	26%	0.262	C	S	.	.			trans	-49.8	131.6	-178.3	-171.5	-174.5	-57.6	-83.4	-2.8	113.2	V286 G287 D291 M292 T296 G328 M329 Q330	V286-R294 CarbonylContact C-O 3.55Å; V286-R294 WeakPolarHBondContact CA-O 3.38Å; G287-R294 PolarHBondContact N-O 3.08Å; D291-R294 PolarHBondContact O-N 2.96Å; D291-R294 IonicContact OD1-CZ 2.69Å; D291-R294 IonicContact OD1-NE 3.08Å; D291-R294 PolarHBondContact OD1-NE 2.92Å; D291-R294 IonicContact OD1-NH2 2.86Å; D291-R294 PolarHBondContact OD1-NH2 3.4Å; D291-R294 WeakPolarHBondContact OD2-CB 3.39Å; D291-R294 IonicContact OD2-CZ 2.78Å; D291-R294 IonicContact OD2-NE 3.36Å; D291-R294 PolarHBondContact OD2-NE 2.77Å; D291-R294 IonicContact OD2-NH2 3.79Å; M292-R294 PolarHBondContact O-N 2.97Å; R294-T296 HydrophobicContact CG-CG2 4.24Å; R294-G328 WeakPolarHBondContact CD-O 3.45Å; R294-G328 WeakPolarHBondContact CG-O 3.43Å; R294-G328 PolarHBondContact NH1-O 2.92Å; R294-M329 CarbonylContact C-O 3.5Å; R294-M329 VanDerWaalsContact CA-O 3.31Å; R294-M329 WeakPolarHBondContact CA-O 3.17Å; R294-M329 WeakPolarHBondContact CG-O 3.21Å; R294-Q330 HydrophobicContact CB-CG 4.4Å
295	L	98.8	Very high	97.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129	169.9	175.4	60.4	0	0	0	109.7	F284 Y293 Y297 F309 H326 G328 M329 W354	F284-L295 HydrophobicContact CD2-CD1 3.76Å; F284-L295 HydrophobicContact CE2-CD1 3.37Å; F284-L295 HydrophobicContact CZ-CD1 4.46Å; Y293-L295 PolarHBondContact O-N 2.8Å; L295-Y297 HydrophobicContact CG-CD1 4.46Å; L295-F309 HydrophobicContact CD2-CD2 4.31Å; L295-F309 HydrophobicContact CD2-CE2 4.18Å; L295-F309 HydrophobicContact CD2-CZ 4.31Å; L295-H326 HydrophobicContact CD2-CB 3.98Å; L295-G328 WeakPolarHBondContact O-CA 3.39Å; L295-G328 PolarHBondContact O-N 3.17Å; L295-M329 PolarHBondContact N-O 2.83Å; L295-W354 HydrophobicContact CB-CB 4.21Å; L295-W354 VanDerWaalsContact CB-CD1 3.45Å; L295-W354 HydrophobicContact CB-CD2 3.69Å; L295-W354 HydrophobicContact CB-CE3 4.48Å; L295-W354 HydrophobicContact CB-CG 3.53Å; L295-W354 HydrophobicContact CB-CZ2 4.48Å; L295-W354 HydrophobicContact CD2-CB 4.37Å; L295-W354 HydrophobicContact CD2-CD2 4Å; L295-W354 HydrophobicContact CD2-CE3 4.01Å; L295-W354 HydrophobicContact CD2-CG 4.18Å; L295-W354 HydrophobicContact CG-CD2 4.32Å; L295-W354 HydrophobicContact CG-CG 4.47Å
296	T	98.6	Very high	97.8	Very high	51 Å²	51	44.7 Å²	44.7	31%	0.313	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	143.6	166.9	55.4	0	0	0	0	110.6	K285 R294 N327	K285-T296 WeakPolarHBondContact CB-OG1 3.45Å; K285-T296 PolarHBondContact N-O 2.86Å; K285-T296 PolarHBondContact O-N 3.02Å; R294-T296 HydrophobicContact CG-CG2 4.24Å; T296-N327 WeakPolarHBondContact CA-OD1 3.13Å
297	Y	98.2	Very high	97.8	Very high	18 Å²	18	46.3 Å²	46.3	7%	0.071	26%	0.261	C	S	.	.			trans	-147.1	157.6	168.9	61.7	-90.4	0	0	0	108.8	Y281 A282 L295 F309 D310 N327	Y281-Y297 HydrophobicContact CD1-CD1 4.27Å; Y281-Y297 AromaticContact CD1-CD2 3.71Å; Y281-Y297 HydrophobicContact CD1-CD2 3.71Å; Y281-Y297 HydrophobicContact CD1-CE1 4.16Å; Y281-Y297 AromaticContact CD1-CE2 3.59Å; Y281-Y297 HydrophobicContact CD1-CE2 3.59Å; Y281-Y297 HydrophobicContact CD1-CG 4.06Å; Y281-Y297 AromaticContact CD1-CZ 3.82Å; Y281-Y297 HydrophobicContact CE1-CE1 4.42Å; Y281-Y297 HydrophobicContact CE1-CE2 4.04Å; Y281-Y297 AromaticContact CE1-CZ 3.94Å; Y281-Y297 HydrophobicContact CG-CD2 4.5Å; A282-Y297 WeakPolarHBondContact O-CB 3.31Å; L295-Y297 HydrophobicContact CG-CD1 4.46Å; Y297-F309 HydrophobicContact CE1-CB 3.74Å; Y297-F309 HydrophobicContact CE1-CD2 4.05Å; Y297-F309 HydrophobicContact CE1-CG 4.31Å; Y297-F309 VanDerWaalsContact OH-C 3.28Å; Y297-F309 WeakPolarHBondContact OH-CB 3.38Å; Y297-D310 PolarHBondContact OH-N 3.05Å; Y297-N327 HydrophobicContact CD1-CB 4.1Å; Y297-N327 HydrophobicContact CE1-CB 3.39Å; Y297-N327 HydrophobicContact CE2-CB 4.44Å; Y297-N327 PolarHBondContact N-OD1 2.9Å; Y297-N327 VanDerWaalsContact N-OD1 3.08Å; Y297-N327 PolarHBondContact O-ND2 2.89Å; Y297-N327 PolarHBondContact O-OD1 3.24Å
298	A	97.3	Very high	97.8	Very high	54 Å²	54	45.7 Å²	45.7	45%	0.446	26%	0.256	S	S	.	.	S	Bend	trans	-79.1	-47.4	-176.6	0	0	0	0	0	112.1	A282 M283	A282-A298 PolarHBondContact O-N 2.95Å; M283-A298 HydrophobicContact CB-CB 3.76Å; M283-A298 HydrophobicContact CG-CB 3.85Å; M283-A298 HydrophobicContact SD-CB 3.5Å; M283-A298 VanDerWaalsContact SD-CB 3.5Å
299	Y	97.3	Very high	97.8	Very high	124 Å²	124	43.3 Å²	43.3	49%	0.486	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	162.3	179.5	57.2	-85.5	0	0	0	110.8	A282 F301	A282-Y299 HydrophobicContact CB-CD1 4.17Å; A282-Y299 HydrophobicContact CB-CD2 4.2Å; A282-Y299 HydrophobicContact CB-CE1 3.79Å; A282-Y299 HydrophobicContact CB-CE2 3.83Å; A282-Y299 HydrophobicContact CB-CG 4.35Å; A282-Y299 PolarHBondContact N-O 2.82Å; Y299-F301 AromaticContact CE2-CD2 3.89Å; Y299-F301 HydrophobicContact CE2-CD2 3.89Å; Y299-F301 PolarHBondContact O-N 3.25Å
300	Y	97.9	Very high	97.8	Very high	61 Å²	61	44.3 Å²	44.3	24%	0.239	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	119	168.7	175.9	-112.7	0	0	0	110.7	A279 D280 Y281 G302 G303 G306 D307	A279-Y300 HydrophobicContact CB-CE2 3.93Å; D280-Y300 WeakPolarHBondContact O-CD2 3.4Å; Y281-Y300 HydrophobicContact CD1-CD2 4.24Å; Y281-Y300 AromaticContact CE1-CD2 3.84Å; Y281-Y300 HydrophobicContact CE1-CD2 3.84Å; Y300-G302 WeakPolarHBondContact CE2-O 3.28Å; Y300-G302 VanDerWaalsContact OH-C 3.23Å; Y300-G302 PolarHBondContact OH-O 3.12Å; Y300-G303 VanDerWaalsContact OH-CA 3.29Å; Y300-G303 WeakPolarHBondContact OH-CA 3.4Å; Y300-G303 PolarHBondContact OH-N 2.89Å; Y300-G303 VanDerWaalsContact OH-N 3.15Å; Y300-G303 PolarHBondContact OH-O 2.9Å; Y300-G306 WeakPolarHBondContact OH-CA 3.25Å; Y300-G306 PolarHBondContact OH-N 3.14Å; Y300-D307 WeakPolarHBondContact CB-OD2 3.46Å; Y300-D307 HydrophobicContact CD1-CB 4.03Å; Y300-D307 HydrophobicContact CD2-CB 3.79Å; Y300-D307 HydrophobicContact CE1-CB 4.36Å; Y300-D307 HydrophobicContact CE2-CB 4.13Å; Y300-D307 HydrophobicContact CG-CB 3.71Å
301	F	93.6	Very high	97.8	Very high	55 Å²	55	38 Å²	38	24%	0.241	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-29	-175.2	-168.1	-107.9	0	0	0	112.1	D280 A282 Y299 I412 A414	D280-F301 HydrophobicContact CB-CB 3.86Å; D280-F301 HydrophobicContact CB-CD1 4.03Å; D280-F301 HydrophobicContact CB-CG 4.43Å; D280-F301 WeakPolarHBondContact O-CA 3.45Å; D280-F301 WeakPolarHBondContact O-CB 3.36Å; D280-F301 PolarHBondContact O-N 3.46Å; A282-F301 HydrophobicContact CB-CB 4.3Å; A282-F301 HydrophobicContact CB-CD2 4.14Å; Y299-F301 AromaticContact CE2-CD2 3.89Å; Y299-F301 HydrophobicContact CE2-CD2 3.89Å; Y299-F301 PolarHBondContact O-N 3.25Å; F301-I412 HydrophobicContact CD1-CG2 4.35Å; F301-I412 HydrophobicContact CE1-CG2 3.52Å; F301-I412 HydrophobicContact CZ-CG2 4.11Å; F301-A414 HydrophobicContact CE2-CB 4.46Å; F301-A414 HydrophobicContact CZ-CB 3.83Å
302	G	95.1	Very high	97.7	Very high	24 Å²	24	39 Å²	39	25%	0.247	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.1	178.2	179.2	0	0	0	0	0	112.5	D280 Y300	D280-G302 PolarHBondContact N-O 3.37Å; D280-G302 PolarHBondContact O-N 2.84Å; Y300-G302 WeakPolarHBondContact CE2-O 3.28Å; Y300-G302 VanDerWaalsContact OH-C 3.23Å; Y300-G302 PolarHBondContact OH-O 3.12Å
303	G	96	Very high	97.7	Very high	34 Å²	34	41.2 Å²	41.2	35%	0.351	22%	0.224	S	C	.	.			trans	136.7	158.5	-177.1	0	0	0	0	0	112.2	H278 Y300	H278-G303 CarbonylContact O-C 3.43Å; H278-G303 WeakPolarHBondContact O-CA 3.33Å; Y300-G303 VanDerWaalsContact OH-CA 3.29Å; Y300-G303 WeakPolarHBondContact OH-CA 3.4Å; Y300-G303 PolarHBondContact OH-N 2.89Å; Y300-G303 VanDerWaalsContact OH-N 3.15Å; Y300-G303 PolarHBondContact OH-O 2.9Å
304	D	97.6	Very high	97.5	Very high	80 Å²	80	42.9 Å²	42.9	43%	0.428	23%	0.232	S	C	.	.	S	Bend	trans	-89.2	-11.4	-179.2	56.7	-16.9	0	0	0	113.2	K277 H278 G306	K277-D304 WeakPolarHBondContact CA-OD1 3.35Å; K277-D304 HydrophobicContact CD-CB 4.42Å; K277-D304 VanDerWaalsContact CD-O 3.26Å; K277-D304 WeakPolarHBondContact CD-O 3.46Å; K277-D304 PolarHBondContact NZ-O 3.32Å; H278-D304 IonicContact CE1-OD1 2.81Å; H278-D304 IonicContact CG-OD1 2.79Å; H278-D304 PolarHBondContact N-OD1 3.21Å; H278-D304 IonicContact ND1-OD1 2.74Å; H278-D304 PolarHBondContact ND1-OD1 2.79Å; H278-D304 PolarHBondContact O-N 3.27Å; H278-D304 VanDerWaalsContact O-N 3.09Å; D304-G306 VanDerWaalsContact C-N 3.33Å
305	A	97.7	Very high	97.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-76.1	-19	173.9	0	0	0	0	0	113.2	L269 K277 H278 A279 W389 T391	L269-A305 HydrophobicContact CD1-CB 3.97Å; K277-A305 HydrophobicContact CB-CB 3.82Å; H278-A305 VanDerWaalsContact O-CB 3.23Å; H278-A305 WeakPolarHBondContact O-CB 3.35Å; H278-A305 PolarHBondContact O-N 2.99Å; A279-A305 HydrophobicContact CB-CB 4.14Å; A305-W389 PolarHBondContact O-NE1 3.1Å; A305-T391 WeakPolarHBondContact O-CB 3.26Å; A305-T391 PolarHBondContact O-OG1 2.9Å
306	G	98	Very high	96.9	Very high	20 Å²	20	48.3 Å²	48.3	21%	0.206	28%	0.281	C	S	.	.			trans	78.4	164.6	-175.3	0	0	0	0	0	113.7	Y300 D304 A308 W389 T391	Y300-G306 WeakPolarHBondContact OH-CA 3.25Å; Y300-G306 PolarHBondContact OH-N 3.14Å; D304-G306 VanDerWaalsContact C-N 3.33Å; G306-A308 PolarHBondContact O-N 3.08Å; G306-W389 WeakPolarHBondContact O-CZ2 3.38Å; G306-W389 PolarHBondContact O-NE1 3.03Å; G306-T391 VanDerWaalsContact C-OG1 3.32Å; G306-T391 PolarHBondContact O-OG1 3.24Å
307	D	98.4	Very high	96.6	Very high	34 Å²	34	49.5 Å²	49.5	18%	0.182	29%	0.285	C	S	.	.			trans	-87.1	86.4	-177.7	-173.5	-5.1	0	0	0	111.6	Y281 Y300 F309 D310	Y281-D307 VanDerWaalsContact CE1-OD1 3.31Å; Y281-D307 WeakPolarHBondContact CE1-OD1 3.42Å; Y281-D307 PolarHBondContact OH-OD1 3.4Å; Y300-D307 WeakPolarHBondContact CB-OD2 3.46Å; Y300-D307 HydrophobicContact CD1-CB 4.03Å; Y300-D307 HydrophobicContact CD2-CB 3.79Å; Y300-D307 HydrophobicContact CE1-CB 4.36Å; Y300-D307 HydrophobicContact CE2-CB 4.13Å; Y300-D307 HydrophobicContact CG-CB 3.71Å; D307-F309 VanDerWaalsContact C-N 3.33Å; D307-F309 PolarHBondContact OD1-N 2.99Å; D307-F309 VanDerWaalsContact OD1-N 3.14Å; D307-D310 HydrophobicContact CB-CB 4.33Å; D307-D310 VanDerWaalsContact CG-CB 3.43Å; D307-D310 PolarHBondContact OD1-N 2.91Å; D307-D310 VanDerWaalsContact OD2-CB 3.31Å; D307-D310 WeakPolarHBondContact OD2-CB 3.44Å
308	A	98.3	Very high	96.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.322	C	S	.	.	S	Bend	trans	-79.4	-15.2	174.6	0	0	0	0	0	113	G306 D310 G311 A360 A361 W389 T391	G306-A308 PolarHBondContact O-N 3.08Å; A308-D310 VanDerWaalsContact C-N 3.35Å; A308-G311 PolarHBondContact O-N 3.29Å; A308-A360 WeakPolarHBondContact O-CB 3.4Å; A308-A361 HydrophobicContact CB-CB 3.79Å; A308-W389 HydrophobicContact CB-CD2 3.67Å; A308-W389 VanDerWaalsContact CB-CE2 3.43Å; A308-W389 HydrophobicContact CB-CE3 4.07Å; A308-W389 HydrophobicContact CB-CG 4.16Å; A308-W389 HydrophobicContact CB-CH2 4.04Å; A308-W389 HydrophobicContact CB-CZ2 3.65Å; A308-W389 HydrophobicContact CB-CZ3 4.25Å; A308-T391 HydrophobicContact CB-CG2 4.13Å
309	F	98.6	Very high	96.3	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-22.3	175.6	-73.2	-22.5	0	0	0	113.3	L265 I267 Y281 L295 Y297 D307 G311 S325 H326 W353 A361 W389	L265-F309 HydrophobicContact CD2-CE2 3.97Å; I267-F309 HydrophobicContact CD1-CE2 3.66Å; I267-F309 HydrophobicContact CD1-CZ 3.65Å; Y281-F309 AromaticContact CD1-CD2 4Å; Y281-F309 HydrophobicContact CD1-CD2 4Å; Y281-F309 AromaticContact CD2-CD2 4Å; Y281-F309 HydrophobicContact CD2-CD2 4Å; Y281-F309 HydrophobicContact CD2-CE2 4.2Å; Y281-F309 HydrophobicContact CE1-CB 3.7Å; Y281-F309 AromaticContact CE1-CD2 3.6Å; Y281-F309 HydrophobicContact CE1-CD2 3.6Å; Y281-F309 HydrophobicContact CE1-CG 4.03Å; Y281-F309 AromaticContact CE2-CD2 3.6Å; Y281-F309 HydrophobicContact CE2-CD2 3.6Å; Y281-F309 AromaticContact CE2-CE2 3.94Å; Y281-F309 HydrophobicContact CE2-CE2 3.94Å; Y281-F309 HydrophobicContact CE2-CG 4.39Å; Y281-F309 HydrophobicContact CG-CD2 4.17Å; Y281-F309 AromaticContact CZ-CD2 3.37Å; Y281-F309 AromaticContact CZ-CG 3.79Å; Y281-F309 PolarHBondContact OH-N 3.08Å; L295-F309 HydrophobicContact CD2-CD2 4.31Å; L295-F309 HydrophobicContact CD2-CE2 4.18Å; L295-F309 HydrophobicContact CD2-CZ 4.31Å; Y297-F309 HydrophobicContact CE1-CB 3.74Å; Y297-F309 HydrophobicContact CE1-CD2 4.05Å; Y297-F309 HydrophobicContact CE1-CG 4.31Å; Y297-F309 VanDerWaalsContact OH-C 3.28Å; Y297-F309 WeakPolarHBondContact OH-CB 3.38Å; D307-F309 VanDerWaalsContact C-N 3.33Å; D307-F309 PolarHBondContact OD1-N 2.99Å; D307-F309 VanDerWaalsContact OD1-N 3.14Å; F309-G311 PolarHBondContact O-N 2.86Å; F309-S325 CarbonylContact O-C 3.54Å; F309-S325 WeakPolarHBondContact O-CA 3.31Å; F309-H326 HydrophobicContact CB-CB 4.33Å; F309-H326 HydrophobicContact CD1-CB 3.81Å; F309-H326 AromaticContact CD1-CG 3.7Å; F309-H326 AromaticContact CD1-ND1 3.64Å; F309-H326 HydrophobicContact CE1-CB 4.39Å; F309-H326 HydrophobicContact CG-CB 4.25Å; F309-H326 PolarHBondContact O-N 3.36Å; F309-W353 AromaticContact CE1-CZ2 3.89Å; F309-W353 HydrophobicContact CE1-CZ2 3.89Å; F309-W353 HydrophobicContact CZ-CZ2 4.19Å; F309-A361 HydrophobicContact CD1-CB 3.85Å; F309-A361 HydrophobicContact CE1-CB 3.82Å; F309-W389 HydrophobicContact CD1-CH2 4.43Å; F309-W389 HydrophobicContact CE1-CH2 4.41Å; F309-W389 HydrophobicContact CE1-CZ3 4.18Å; F309-W389 HydrophobicContact CZ-CZ3 4.47Å
310	D	98.3	Very high	96.1	Very high	82 Å²	82	49.2 Å²	49.2	44%	0.439	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	2.7	167.5	-168.6	56.6	0	0	0	113.5	Y297 D307 A308 K321	Y297-D310 PolarHBondContact OH-N 3.05Å; D307-D310 HydrophobicContact CB-CB 4.33Å; D307-D310 VanDerWaalsContact CG-CB 3.43Å; D307-D310 PolarHBondContact OD1-N 2.91Å; D307-D310 VanDerWaalsContact OD2-CB 3.31Å; D307-D310 WeakPolarHBondContact OD2-CB 3.44Å; A308-D310 VanDerWaalsContact C-N 3.35Å; D310-K321 PolarHBondContact O-NZ 2.65Å; D310-K321 VanDerWaalsContact OD2-CE 3.27Å; D310-K321 WeakPolarHBondContact OD2-CE 3.46Å; D310-K321 IonicContact OD2-NZ 3.92Å; D310-K321 PolarHBondContact OD2-NZ 3.4Å
311	G	98	Very high	96.1	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.021	30%	0.301	C	S	.	.			trans	78	162.5	-179.2	0	0	0	0	0	113	A308 F309 K321 T324	A308-G311 PolarHBondContact O-N 3.29Å; F309-G311 PolarHBondContact O-N 2.86Å; G311-K321 WeakPolarHBondContact CA-O 3.36Å; G311-K321 PolarHBondContact O-NZ 3.38Å; G311-T324 WeakPolarHBondContact CA-OG1 3.29Å
312	F	98.1	Very high	96.3	Very high	70 Å²	70	54.4 Å²	54.4	31%	0.307	32%	0.319	S	S	.	.			trans	-130.3	134.5	-174.8	-171.7	-95.4	0	0	0	110.5	F314 D320 K321 T324 A360 A390 T391	F312-F314 HydrophobicContact CB-CE2 4.39Å; F312-F314 HydrophobicContact CB-CZ 4.44Å; F312-F314 AromaticContact CD1-CD1 3.46Å; F312-F314 HydrophobicContact CD1-CD1 3.46Å; F312-F314 VanDerWaalsContact CD1-CD1 3.46Å; F312-F314 HydrophobicContact CD1-CD2 4.27Å; F312-F314 AromaticContact CD1-CE1 3.56Å; F312-F314 HydrophobicContact CD1-CE1 3.56Å; F312-F314 HydrophobicContact CD1-CE2 4.36Å; F312-F314 AromaticContact CD1-CG 3.85Å; F312-F314 HydrophobicContact CD1-CG 3.85Å; F312-F314 HydrophobicContact CD1-CZ 4.03Å; F312-F314 AromaticContact CE1-CD1 3.8Å; F312-F314 HydrophobicContact CE1-CD1 3.8Å; F312-F314 HydrophobicContact CE1-CE1 4.04Å; F312-F314 HydrophobicContact CE1-CG 4.46Å; F312-F314 HydrophobicContact CG-CE1 4.48Å; F312-F314 PolarHBondContact O-N 2.95Å; F312-D320 CarbonylContact O-C 3.46Å; F312-K321 WeakPolarHBondContact O-CA 3.29Å; F312-K321 PolarHBondContact O-N 2.85Å; F312-T324 PolarHBondContact N-OG1 3.18Å; F312-T324 PolarHBondContact O-OG1 2.88Å; F312-A360 HydrophobicContact CB-CB 3.68Å; F312-A390 HydrophobicContact CB-CB 3.66Å; F312-A390 HydrophobicContact CD1-CB 3.88Å; F312-A390 HydrophobicContact CD2-CB 4.02Å; F312-A390 HydrophobicContact CG-CB 3.57Å; F312-T391 HydrophobicContact CD2-CG2 4.02Å
313	D	97.1	Very high	96.4	Very high	92 Å²	92	56.6 Å²	56.6	49%	0.492	32%	0.321	S	S	.	.			trans	-81.2	105.2	172.3	-175.7	0	0	0	0	108.6	G315 K321	D313-G315 VanDerWaalsContact C-N 3.32Å; D313-G315 PolarHBondContact OD1-N 2.74Å; D313-K321 HydrophobicContact CB-CB 4.32Å
314	F	95	Very high	96.5	Very high	35 Å²	35	55.2 Å²	55.2	15%	0.154	31%	0.306	C	S	.	.			trans	-84.1	-12.8	-176.4	-89	-52.8	0	0	0	112.7	F312 D316 D320 T324 A360 A390 R395	F312-F314 HydrophobicContact CB-CE2 4.39Å; F312-F314 HydrophobicContact CB-CZ 4.44Å; F312-F314 AromaticContact CD1-CD1 3.46Å; F312-F314 HydrophobicContact CD1-CD1 3.46Å; F312-F314 VanDerWaalsContact CD1-CD1 3.46Å; F312-F314 HydrophobicContact CD1-CD2 4.27Å; F312-F314 AromaticContact CD1-CE1 3.56Å; F312-F314 HydrophobicContact CD1-CE1 3.56Å; F312-F314 HydrophobicContact CD1-CE2 4.36Å; F312-F314 AromaticContact CD1-CG 3.85Å; F312-F314 HydrophobicContact CD1-CG 3.85Å; F312-F314 HydrophobicContact CD1-CZ 4.03Å; F312-F314 AromaticContact CE1-CD1 3.8Å; F312-F314 HydrophobicContact CE1-CD1 3.8Å; F312-F314 HydrophobicContact CE1-CE1 4.04Å; F312-F314 HydrophobicContact CE1-CG 4.46Å; F312-F314 HydrophobicContact CG-CE1 4.48Å; F312-F314 PolarHBondContact O-N 2.95Å; F314-D316 VanDerWaalsContact C-N 3.31Å; F314-D320 HydrophobicContact CB-CB 4.19Å; F314-D320 VanDerWaalsContact CB-OD2 3.32Å; F314-D320 WeakPolarHBondContact CB-OD2 3.41Å; F314-T324 HydrophobicContact CD2-CG2 4.02Å; F314-T324 HydrophobicContact CE2-CG2 3.9Å; F314-A360 HydrophobicContact CE2-CB 4.48Å; F314-A390 HydrophobicContact CE1-CB 3.86Å; F314-A390 HydrophobicContact CZ-CB 3.62Å; F314-R395 VanDerWaalsContact CD1-CZ 3.43Å; F314-R395 VanDerWaalsContact CD1-NH2 3.34Å; F314-R395 HydrophobicContact CE1-CB 3.9Å; F314-R395 VanDerWaalsContact CG-NH2 3.34Å; F314-R395 HydrophobicContact CZ-CB 4.24Å
315	G	94.6	Very high	96.5	Very high	63 Å²	63	52.5 Å²	52.5	65%	0.649	29%	0.293	S	S	*	.	S	Bend	trans	81.3	2.4	179.2	0	0	0	0	0	114.8	D313 D320	D313-G315 VanDerWaalsContact C-N 3.32Å; D313-G315 PolarHBondContact OD1-N 2.74Å; G315-D320 PolarHBondContact N-OD2 3.22Å
316	D	90.4	Very high	96.6	Very high	116 Å²	116	52.5 Å²	52.5	62%	0.62	29%	0.293	S	S	*	.	S	Bend	trans	-81.7	-39.1	177.9	-61.7	-38.7	0	0	0	110.2	F314 D320 R395	F314-D316 VanDerWaalsContact C-N 3.31Å; D316-D320 PolarHBondContact N-OD2 2.71Å; D316-R395 IonicContact OD1-NH2 3.79Å; D316-R395 IonicContact OD2-CZ 3.78Å; D316-R395 IonicContact OD2-NH1 3.8Å; D316-R395 PolarHBondContact OD2-NH1 3.42Å; D316-R395 IonicContact OD2-NH2 3.99Å; D316-R395 PolarHBondContact OD2-NH2 3.16Å
317	D	92.8	Very high	96.6	Very high	75 Å²	75	54.5 Å²	54.5	40%	0.401	30%	0.299	S	S	.	.	S	Bend	trans	-141.8	140	174.7	-171.8	-74.6	0	0	0	111.1	S319 D320	D317-S319 PolarHBondContact O-N 2.93Å; D317-S319 WeakPolarHBondContact OD1-CA 3.28Å; D317-S319 VanDerWaalsContact OD1-CB 3.26Å; D317-S319 WeakPolarHBondContact OD1-CB 3.25Å; D317-S319 PolarHBondContact OD1-N 3.11Å; D317-S319 PolarHBondContact OD1-OG 3.03Å; D317-D320 WeakPolarHBondContact CB-OD1 3.46Å; D317-D320 PolarHBondContact N-OD1 2.98Å; D317-D320 PolarHBondContact N-OD2 2.71Å; D317-D320 VanDerWaalsContact O-CB 3.27Å; D317-D320 WeakPolarHBondContact O-CB 3.42Å; D317-D320 PolarHBondContact O-N 3.47Å
318	P	93.4	Very high	96.6	Very high	130 Å²	130	53.8 Å²	53.8	84%	0.844	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-16.2	177.5	-25	34.3	0	0	0	115.2
319	S	95.5	Very high	96.6	Very high	38 Å²	38	54.9 Å²	54.9	27%	0.266	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	1.5	177.3	66.4	0	0	0	0	114.4	D317 K321 F322 Y323	D317-S319 PolarHBondContact O-N 2.93Å; D317-S319 WeakPolarHBondContact OD1-CA 3.28Å; D317-S319 VanDerWaalsContact OD1-CB 3.26Å; D317-S319 WeakPolarHBondContact OD1-CB 3.25Å; D317-S319 PolarHBondContact OD1-N 3.11Å; D317-S319 PolarHBondContact OD1-OG 3.03Å; S319-K321 VanDerWaalsContact C-N 3.33Å; S319-K321 PolarHBondContact O-N 2.93Å; S319-F322 WeakPolarHBondContact O-CB 3.27Å; S319-F322 PolarHBondContact O-N 3.19Å; S319-Y323 WeakPolarHBondContact O-CD2 3.42Å; S319-Y323 PolarHBondContact O-N 3.13Å; S319-Y323 WeakPolarHBondContact OG-CD2 3.48Å; S319-Y323 WeakPolarHBondContact OG-CE2 3.36Å
320	D	94.7	Very high	96.6	Very high	22 Å²	22	56.6 Å²	56.6	12%	0.118	31%	0.313	C	S	.	.	H	α-helix	trans	-51.3	-48.4	-177.5	-77.5	-17.2	0	0	0	112.5	F312 F314 G315 D316 D317 F322 Y323 T324	F312-D320 CarbonylContact O-C 3.46Å; F314-D320 HydrophobicContact CB-CB 4.19Å; F314-D320 VanDerWaalsContact CB-OD2 3.32Å; F314-D320 WeakPolarHBondContact CB-OD2 3.41Å; G315-D320 PolarHBondContact N-OD2 3.22Å; D316-D320 PolarHBondContact N-OD2 2.71Å; D317-D320 WeakPolarHBondContact CB-OD1 3.46Å; D317-D320 PolarHBondContact N-OD1 2.98Å; D317-D320 PolarHBondContact N-OD2 2.71Å; D317-D320 VanDerWaalsContact O-CB 3.27Å; D317-D320 WeakPolarHBondContact O-CB 3.42Å; D317-D320 PolarHBondContact O-N 3.47Å; D320-F322 VanDerWaalsContact C-N 3.29Å; D320-F322 PolarHBondContact O-N 2.87Å; D320-Y323 CarbonylContact O-C 3.56Å; D320-Y323 PolarHBondContact O-N 3.15Å; D320-T324 WeakPolarHBondContact O-CB 3.45Å; D320-T324 VanDerWaalsContact O-CG2 3.25Å; D320-T324 WeakPolarHBondContact O-CG2 3.36Å; D320-T324 PolarHBondContact O-N 2.98Å; D320-T324 PolarHBondContact O-OG1 2.86Å
321	K	97.2	Very high	96.6	Very high	84 Å²	84	52.7 Å²	52.7	37%	0.365	29%	0.292	S	S	.	.	H	α-helix	trans	-58.1	-42.7	179.8	-178.4	172.8	175.9	62.6	0	112.2	D310 G311 F312 D313 S319 T324 S325	D310-K321 PolarHBondContact O-NZ 2.65Å; D310-K321 VanDerWaalsContact OD2-CE 3.27Å; D310-K321 WeakPolarHBondContact OD2-CE 3.46Å; D310-K321 IonicContact OD2-NZ 3.92Å; D310-K321 PolarHBondContact OD2-NZ 3.4Å; G311-K321 WeakPolarHBondContact CA-O 3.36Å; G311-K321 PolarHBondContact O-NZ 3.38Å; F312-K321 WeakPolarHBondContact O-CA 3.29Å; F312-K321 PolarHBondContact O-N 2.85Å; D313-K321 HydrophobicContact CB-CB 4.32Å; S319-K321 VanDerWaalsContact C-N 3.33Å; S319-K321 PolarHBondContact O-N 2.93Å; K321-T324 PolarHBondContact O-OG1 3.2Å; K321-S325 PolarHBondContact O-N 3.48Å
322	F	97.3	Very high	96.7	Very high	141 Å²	141	52.6 Å²	52.6	62%	0.618	29%	0.291	S	S	*	.	H	α-helix	trans	-66.4	-45.2	178.9	176.5	-98.3	0	0	0	111.2	S319 D320 T324 S325 N356	S319-F322 WeakPolarHBondContact O-CB 3.27Å; S319-F322 PolarHBondContact O-N 3.19Å; D320-F322 VanDerWaalsContact C-N 3.29Å; D320-F322 PolarHBondContact O-N 2.87Å; F322-T324 VanDerWaalsContact C-N 3.27Å; F322-T324 PolarHBondContact O-N 3.23Å; F322-S325 PolarHBondContact O-N 3.25Å; F322-S325 PolarHBondContact O-OG 3.24Å; F322-N356 PolarHBondContact O-ND2 3.18Å
323	Y	97	Very high	96.7	Very high	70 Å²	70	49.2 Å²	49.2	28%	0.275	28%	0.276	S	S	.	.	H	α-helix	trans	-76	-8.8	-178.2	-76.9	-53.6	0	0	0	114.6	S319 D320 N356 R357	S319-Y323 WeakPolarHBondContact O-CD2 3.42Å; S319-Y323 PolarHBondContact O-N 3.13Å; S319-Y323 WeakPolarHBondContact OG-CD2 3.48Å; S319-Y323 WeakPolarHBondContact OG-CE2 3.36Å; D320-Y323 CarbonylContact O-C 3.56Å; D320-Y323 PolarHBondContact O-N 3.15Å; Y323-N356 WeakPolarHBondContact O-CB 3.47Å; Y323-N356 PolarHBondContact O-ND2 3.5Å; Y323-N356 PolarHBondContact O-OD1 3.26Å; Y323-R357 HydrophobicContact CD1-CB 3.97Å; Y323-R357 HydrophobicContact CG-CB 4.21Å; Y323-R357 CarbonylContact O-C 3.35Å; Y323-R357 VanDerWaalsContact O-C 3.3Å; Y323-R357 WeakPolarHBondContact O-CA 3.45Å; Y323-R357 PolarHBondContact O-N 3.21Å
324	T	98	Very high	96.7	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.037	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	4.5	178	58.6	0	0	0	0	113.1	G311 F312 F314 D320 K321 F322 H326 A360	G311-T324 WeakPolarHBondContact CA-OG1 3.29Å; F312-T324 PolarHBondContact N-OG1 3.18Å; F312-T324 PolarHBondContact O-OG1 2.88Å; F314-T324 HydrophobicContact CD2-CG2 4.02Å; F314-T324 HydrophobicContact CE2-CG2 3.9Å; D320-T324 WeakPolarHBondContact O-CB 3.45Å; D320-T324 VanDerWaalsContact O-CG2 3.25Å; D320-T324 WeakPolarHBondContact O-CG2 3.36Å; D320-T324 PolarHBondContact O-N 2.98Å; D320-T324 PolarHBondContact O-OG1 2.86Å; K321-T324 PolarHBondContact O-OG1 3.2Å; F322-T324 VanDerWaalsContact C-N 3.27Å; F322-T324 PolarHBondContact O-N 3.23Å; T324-H326 PolarHBondContact O-CE1 2.81Å; T324-H326 PolarHBondContact O-ND1 3.45Å; T324-A360 WeakPolarHBondContact O-CB 3.46Å; T324-A360 PolarHBondContact O-N 2.9Å
325	S	98.3	Very high	96.9	Very high	23 Å²	23	49.6 Å²	49.6	16%	0.161	28%	0.283	C	S	.	.			trans	-75.2	146.1	174	67.7	0	0	0	0	111.9	F309 K321 F322 M329 N356	F309-S325 CarbonylContact O-C 3.54Å; F309-S325 WeakPolarHBondContact O-CA 3.31Å; K321-S325 PolarHBondContact O-N 3.48Å; F322-S325 PolarHBondContact O-N 3.25Å; F322-S325 PolarHBondContact O-OG 3.24Å; S325-M329 WeakPolarHBondContact O-CG 3.44Å; S325-N356 VanDerWaalsContact O-CB 3.29Å; S325-N356 WeakPolarHBondContact O-CB 3.41Å; S325-N356 PolarHBondContact O-ND2 2.78Å; S325-N356 PolarHBondContact OG-ND2 2.95Å
326	H	98.7	Very high	97.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.			trans	-115.6	-16.7	-173.1	-51.9	74.9	0	0	0	113.2	L295 F309 T324 G328 M329 W353 W354 H359 A360 A361	L295-H326 HydrophobicContact CD2-CB 3.98Å; F309-H326 HydrophobicContact CB-CB 4.33Å; F309-H326 HydrophobicContact CD1-CB 3.81Å; F309-H326 AromaticContact CD1-CG 3.7Å; F309-H326 AromaticContact CD1-ND1 3.64Å; F309-H326 HydrophobicContact CE1-CB 4.39Å; F309-H326 HydrophobicContact CG-CB 4.25Å; F309-H326 PolarHBondContact O-N 3.36Å; T324-H326 PolarHBondContact O-CE1 2.81Å; T324-H326 PolarHBondContact O-ND1 3.45Å; H326-G328 PolarHBondContact O-N 3Å; H326-M329 WeakPolarHBondContact O-CB 3.41Å; H326-M329 PolarHBondContact O-N 3.38Å; H326-W353 AromaticContact CD2-CD1 3.87Å; H326-W353 AromaticContact CD2-NE1 3.39Å; H326-W353 PolarHBondContact CD2-NE1 2.97Å; H326-W353 AromaticContact NE2-NE1 3.52Å; H326-W354 PolarHBondContact CD2-O 2.76Å; H326-W354 VanDerWaalsContact CD2-O 3.27Å; H326-H359 WeakPolarHBondContact NE2-CB 3.05Å; H326-A360 PolarHBondContact CE1-N 3.37Å; H326-A361 PolarHBondContact CE1-N 2.82Å; H326-A361 PolarHBondContact NE2-O 3.07Å
327	N	98.6	Very high	97.5	Very high	61 Å²	61	47 Å²	47	33%	0.326	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	124.1	178.6	-159	0.6	0	0	0	110.3	T296 Y297 M329	T296-N327 WeakPolarHBondContact CA-OD1 3.13Å; Y297-N327 HydrophobicContact CD1-CB 4.1Å; Y297-N327 HydrophobicContact CE1-CB 3.39Å; Y297-N327 HydrophobicContact CE2-CB 4.44Å; Y297-N327 PolarHBondContact N-OD1 2.9Å; Y297-N327 VanDerWaalsContact N-OD1 3.08Å; Y297-N327 PolarHBondContact O-ND2 2.89Å; Y297-N327 PolarHBondContact O-OD1 3.24Å; N327-M329 VanDerWaalsContact C-N 3.31Å
328	G	98.6	Very high	97.7	Very high	19 Å²	19	44.7 Å²	44.7	20%	0.196	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	2	-175.5	0	0	0	0	0	114.5	R294 L295 H326	R294-G328 WeakPolarHBondContact CD-O 3.45Å; R294-G328 WeakPolarHBondContact CG-O 3.43Å; R294-G328 PolarHBondContact NH1-O 2.92Å; L295-G328 WeakPolarHBondContact O-CA 3.39Å; L295-G328 PolarHBondContact O-N 3.17Å; H326-G328 PolarHBondContact O-N 3Å
329	M	98.8	Very high	97.9	Very high	24 Å²	24	39.2 Å²	39.2	12%	0.118	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-75.5	142.8	177.1	-68.9	-57.3	104.4	0	0	111.9	R294 L295 S325 H326 N327 K340 W354 N356	R294-M329 CarbonylContact C-O 3.5Å; R294-M329 VanDerWaalsContact CA-O 3.31Å; R294-M329 WeakPolarHBondContact CA-O 3.17Å; R294-M329 WeakPolarHBondContact CG-O 3.21Å; L295-M329 PolarHBondContact N-O 2.83Å; S325-M329 WeakPolarHBondContact O-CG 3.44Å; H326-M329 WeakPolarHBondContact O-CB 3.41Å; H326-M329 PolarHBondContact O-N 3.38Å; N327-M329 VanDerWaalsContact C-N 3.31Å; M329-K340 HydrophobicContact SD-CG 3.95Å; M329-W354 HydrophobicContact CB-CB 4.03Å; M329-N356 HydrophobicContact CG-CB 3.9Å; M329-N356 HydrophobicContact SD-CB 3.71Å
330	Q	98.9	Very high	98	Very high	35 Å²	35	42.3 Å²	42.3	16%	0.164	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-77.9	152.9	171.8	-74	177.7	-53.1	0	0	109.5	D291 M292 R294 N338	D291-Q330 PolarHBondContact OD1-NE2 3.4Å; M292-Q330 HydrophobicContact CB-CB 3.89Å; M292-Q330 HydrophobicContact CB-CG 3.98Å; R294-Q330 HydrophobicContact CB-CG 4.4Å; Q330-N338 HydrophobicContact CB-CB 3.62Å
331	F	98.9	Very high	97.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-74.2	141.3	175.9	-156.8	-94.8	0	0	0	109.5	W227 Y230 W246 N249 M292 T333 N338 G352 W354	W227-F331 HydrophobicContact CH2-CB 4.36Å; W227-F331 HydrophobicContact CZ3-CB 4.16Å; W227-F331 HydrophobicContact CZ3-CD1 4.07Å; W227-F331 WeakPolarHBondContact CZ3-O 3.49Å; Y230-F331 AromaticContact CD1-CE1 3.72Å; Y230-F331 HydrophobicContact CD1-CE1 3.72Å; Y230-F331 AromaticContact CD1-CZ 3.49Å; Y230-F331 HydrophobicContact CD1-CZ 3.49Å; Y230-F331 VanDerWaalsContact CD1-CZ 3.49Å; Y230-F331 HydrophobicContact CD2-CE1 4.31Å; Y230-F331 HydrophobicContact CE1-CE1 4.42Å; Y230-F331 AromaticContact CE1-CZ 3.95Å; Y230-F331 HydrophobicContact CE1-CZ 3.95Å; Y230-F331 AromaticContact CG-CE1 3.66Å; Y230-F331 HydrophobicContact CG-CE1 3.66Å; Y230-F331 AromaticContact CG-CZ 3.96Å; Y230-F331 HydrophobicContact CG-CZ 3.96Å; W246-F331 HydrophobicContact CH2-CE2 4.34Å; W246-F331 HydrophobicContact CZ2-CE2 4.01Å; W246-F331 HydrophobicContact CZ2-CZ 4.15Å; N249-F331 VanDerWaalsContact ND2-CD1 3.28Å; N249-F331 WeakPolarHBondContact ND2-CD1 3.18Å; N249-F331 WeakPolarHBondContact ND2-CE1 3.16Å; M292-F331 VanDerWaalsContact O-CB 3.29Å; M292-F331 WeakPolarHBondContact O-CB 3.31Å; M292-F331 PolarHBondContact O-N 2.67Å; F331-T333 HydrophobicContact CD1-CG2 4.22Å; F331-T333 HydrophobicContact CE1-CG2 3.93Å; F331-N338 PolarHBondContact O-ND2 2.7Å; F331-G352 WeakPolarHBondContact CZ-O 3.22Å; F331-W354 AromaticContact CD2-CD1 3.8Å; F331-W354 AromaticContact CD2-CD2 3.93Å; F331-W354 HydrophobicContact CD2-CD2 3.93Å; F331-W354 AromaticContact CD2-CE2 3.67Å; F331-W354 HydrophobicContact CD2-CG 4.04Å; F331-W354 HydrophobicContact CD2-CZ2 4.21Å; F331-W354 AromaticContact CD2-NE1 3.58Å; F331-W354 HydrophobicContact CE2-CD2 4.31Å; F331-W354 HydrophobicContact CE2-CZ2 4.41Å
332	S	98.8	Very high	97.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-128.9	144.5	178.6	-62.9	0	0	0	0	110	K336 N338 D339 G352 W353	S332-K336 WeakPolarHBondContact CA-O 3.43Å; S332-N338 WeakPolarHBondContact OG-CA 3.32Å; S332-N338 PolarHBondContact OG-N 3.39Å; S332-D339 PolarHBondContact OG-N 2.6Å; S332-D339 VanDerWaalsContact OG-N 3.16Å; S332-G352 VanDerWaalsContact O-CA 3.23Å; S332-G352 WeakPolarHBondContact O-CA 3.44Å; S332-W353 PolarHBondContact N-O 3.38Å; S332-W353 PolarHBondContact O-N 3.34Å
333	T	98.8	Very high	97.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-131	169.4	169.9	55.9	0	0	0	0	109.4	W227 Y230 F331 D335 K336 A346	W227-T333 WeakPolarHBondContact CA-OG1 3.29Å; W227-T333 HydrophobicContact CE3-CG2 4.15Å; W227-T333 PolarHBondContact N-OG1 2.9Å; Y230-T333 HydrophobicContact CD2-CG2 3.61Å; Y230-T333 HydrophobicContact CE2-CG2 4.39Å; Y230-T333 HydrophobicContact CG-CG2 4.12Å; F331-T333 HydrophobicContact CD1-CG2 4.22Å; F331-T333 HydrophobicContact CE1-CG2 3.93Å; T333-D335 VanDerWaalsContact CB-OD1 3.31Å; T333-D335 WeakPolarHBondContact CB-OD1 3.25Å; T333-D335 PolarHBondContact O-N 2.94Å; T333-D335 VanDerWaalsContact O-N 3.16Å; T333-D335 PolarHBondContact OG1-OD1 3.23Å; T333-K336 PolarHBondContact N-O 2.95Å; T333-K336 CarbonylContact O-C 3.3Å; T333-K336 VanDerWaalsContact O-C 3.31Å; T333-K336 PolarHBondContact O-N 3.21Å; T333-K336 VanDerWaalsContact O-N 3.1Å; T333-K336 PolarHBondContact OG1-N 3.24Å; T333-A346 VanDerWaalsContact C-CB 3.45Å
334	S	97.6	Very high	97.6	Very high	42 Å²	42	42.6 Å²	42.6	29%	0.294	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.5	-178	60	0	0	0	0	113.8	N344	S334-N344 PolarHBondContact O-ND2 2.73Å
335	D	98.4	Very high	97.5	Very high	93 Å²	93	42.3 Å²	42.3	50%	0.497	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-9.6	178	66.8	-44.6	0	0	0	114.1	D226 W227 T333	D226-D335 WeakPolarHBondContact CA-OD1 3.41Å; W227-D335 WeakPolarHBondContact CB-OD2 3.33Å; W227-D335 PolarHBondContact N-OD1 3.21Å; W227-D335 PolarHBondContact N-OD2 3.01Å; T333-D335 VanDerWaalsContact CB-OD1 3.31Å; T333-D335 WeakPolarHBondContact CB-OD1 3.25Å; T333-D335 PolarHBondContact O-N 2.94Å; T333-D335 VanDerWaalsContact O-N 3.16Å; T333-D335 PolarHBondContact OG1-OD1 3.23Å
336	K	98.3	Very high	97.5	Very high	58 Å²	58	41.2 Å²	41.2	25%	0.252	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-145.3	97	178.9	-162.1	-176.1	-168.6	-177.7	0	111.7	W227 M292 S332 T333 N338	W227-K336 HydrophobicContact CB-CB 4.14Å; W227-K336 HydrophobicContact CB-CD 4.42Å; W227-K336 HydrophobicContact CD2-CB 4.13Å; W227-K336 HydrophobicContact CD2-CD 3.3Å; W227-K336 HydrophobicContact CD2-CG 4.32Å; W227-K336 VanDerWaalsContact CE2-NZ 3.31Å; W227-K336 HydrophobicContact CE3-CB 3.86Å; W227-K336 HydrophobicContact CE3-CD 3.52Å; W227-K336 HydrophobicContact CE3-CG 4.18Å; W227-K336 HydrophobicContact CG-CB 4.26Å; W227-K336 HydrophobicContact CG-CD 3.7Å; W227-K336 HydrophobicContact CH2-CD 4.06Å; W227-K336 HydrophobicContact CZ2-CD 3.9Å; W227-K336 HydrophobicContact CZ3-CD 3.89Å; M292-K336 HydrophobicContact SD-CD 4.35Å; M292-K336 WeakPolarHBondContact SD-CE 3.43Å; M292-K336 PolarHBondContact SD-NZ 3.06Å; S332-K336 WeakPolarHBondContact CA-O 3.43Å; T333-K336 PolarHBondContact N-O 2.95Å; T333-K336 CarbonylContact O-C 3.3Å; T333-K336 VanDerWaalsContact O-C 3.31Å; T333-K336 PolarHBondContact O-N 3.21Å; T333-K336 VanDerWaalsContact O-N 3.1Å; T333-K336 PolarHBondContact OG1-N 3.24Å; K336-N338 PolarHBondContact O-ND2 2.88Å
337	D	98.5	Very high	97.4	Very high	66 Å²	66	48.2 Å²	48.2	35%	0.353	25%	0.247	S	C	.	.			trans	-88.4	126.2	-176.5	-165.9	-7.1	0	0	0	112.5	D339 G343 N344	D337-D339 PolarHBondContact OD1-N 3.06Å; D337-D339 VanDerWaalsContact OD1-OD2 3.13Å; D337-G343 VanDerWaalsContact OD2-O 3.12Å; D337-N344 WeakPolarHBondContact OD2-CA 3.5Å; D337-N344 VanDerWaalsContact OD2-CB 3.32Å; D337-N344 WeakPolarHBondContact OD2-CB 3.43Å
338	N	98.3	Very high	97.3	Very high	26 Å²	26	47.6 Å²	47.6	14%	0.139	24%	0.242	C	C	.	.			trans	-134.4	18.8	173.5	-51.8	-77.8	0	0	0	111.8	Q330 F331 S332 K336	Q330-N338 HydrophobicContact CB-CB 3.62Å; F331-N338 PolarHBondContact O-ND2 2.7Å; S332-N338 WeakPolarHBondContact OG-CA 3.32Å; S332-N338 PolarHBondContact OG-N 3.39Å; K336-N338 PolarHBondContact O-ND2 2.88Å
339	D	97.1	Very high	97.1	Very high	15 Å²	15	46.9 Å²	46.9	8%	0.08	23%	0.234	C	C	.	.	S	Bend	trans	-77.5	-173.6	-176.5	76.2	41	0	0	0	112.3	S332 D337 F341 C345 M355	S332-D339 PolarHBondContact OG-N 2.6Å; S332-D339 VanDerWaalsContact OG-N 3.16Å; D337-D339 PolarHBondContact OD1-N 3.06Å; D337-D339 VanDerWaalsContact OD1-OD2 3.13Å; D339-F341 WeakPolarHBondContact OD1-CA 3.49Å; D339-F341 WeakPolarHBondContact OD1-CB 3.14Å; D339-F341 PolarHBondContact OD1-N 3.34Å; D339-C345 VanDerWaalsContact OD2-CB 3.31Å; D339-C345 WeakPolarHBondContact OD2-CB 3.43Å; D339-C345 PolarHBondContact OD2-N 2.97Å; D339-M355 HydrophobicContact CB-CB 3.61Å
340	K	96.5	Very high	97	Very high	103 Å²	103	46.7 Å²	46.7	45%	0.448	24%	0.238	S	C	.	.	S	Bend	trans	-112.5	10.5	179.5	-56.1	-61.9	166.2	-136	0	112.5	M329 N356	M329-K340 HydrophobicContact SD-CG 3.95Å; K340-N356 VanDerWaalsContact CB-OD1 3.29Å; K340-N356 WeakPolarHBondContact CB-OD1 3.21Å; K340-N356 WeakPolarHBondContact CG-OD1 3.41Å; K340-N356 PolarHBondContact N-O 3.47Å
341	F	94.3	Very high	97	Very high	64 Å²	64	45 Å²	45	28%	0.281	23%	0.231	S	C	.	.	S	Bend	trans	-90.6	161.3	174	-173.3	-137.6	0	0	0	110.4	D339 G343 Q348 N356 R357	D339-F341 WeakPolarHBondContact OD1-CA 3.49Å; D339-F341 WeakPolarHBondContact OD1-CB 3.14Å; D339-F341 PolarHBondContact OD1-N 3.34Å; F341-G343 VanDerWaalsContact CD1-CA 3.49Å; F341-G343 VanDerWaalsContact CD1-N 3.3Å; F341-Q348 VanDerWaalsContact CE1-OE1 3.29Å; F341-N356 PolarHBondContact N-O 2.99Å; F341-R357 HydrophobicContact CB-CB 4.23Å; F341-R357 HydrophobicContact CB-CG 3.96Å; F341-R357 HydrophobicContact CD2-CG 3.75Å; F341-R357 HydrophobicContact CG-CG 4.12Å
342	Q	93.1	Very high	97	Very high	202 Å²	202	45 Å²	45	94%	0.944	23%	0.231	S	C	*	.	S	Bend	trans	-81.4	-23.7	173.7	-68.3	-175.4	2.1	0	0	112.1
343	G	94	Very high	97	Very high	31 Å²	31	45 Å²	45	32%	0.32	23%	0.231	S	C	.	.	S	Bend	trans	-86.9	-151.8	168.3	0	0	0	0	0	110.6	D337 F341	D337-G343 VanDerWaalsContact OD2-O 3.12Å; F341-G343 VanDerWaalsContact CD1-CA 3.49Å; F341-G343 VanDerWaalsContact CD1-N 3.3Å
344	N	96.8	Very high	97	Very high	27 Å²	27	45 Å²	45	14%	0.144	23%	0.231	C	C	.	.			trans	-133.3	102.7	177.7	178.5	-33	0	0	0	108.4	S334 D337 A346 K347 Q348	S334-N344 PolarHBondContact O-ND2 2.73Å; D337-N344 WeakPolarHBondContact OD2-CA 3.5Å; D337-N344 VanDerWaalsContact OD2-CB 3.32Å; D337-N344 WeakPolarHBondContact OD2-CB 3.43Å; N344-A346 PolarHBondContact O-N 3.11Å; N344-A346 WeakPolarHBondContact OD1-CB 3.31Å; N344-A346 PolarHBondContact OD1-N 2.93Å; N344-A346 VanDerWaalsContact OD1-N 3.16Å; N344-K347 HydrophobicContact CB-CB 3.95Å; N344-K347 PolarHBondContact O-N 2.81Å; N344-K347 WeakPolarHBondContact OD1-CB 3.37Å; N344-K347 PolarHBondContact OD1-N 2.92Å; N344-Q348 WeakPolarHBondContact O-CG 3.42Å; N344-Q348 PolarHBondContact O-N 3.24Å
345	C	97.5	Very high	97	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.1	-46.8	-178.6	-67.6	0	0	0	0	111	D339 K347 Q348 D349 M355 C358	D339-C345 VanDerWaalsContact OD2-CB 3.31Å; D339-C345 WeakPolarHBondContact OD2-CB 3.43Å; D339-C345 PolarHBondContact OD2-N 2.97Å; C345-K347 PolarHBondContact O-N 2.87Å; C345-Q348 PolarHBondContact O-N 3.05Å; C345-Q348 VanDerWaalsContact O-N 3.11Å; C345-D349 WeakPolarHBondContact O-CB 3.45Å; C345-D349 PolarHBondContact O-N 2.88Å; C345-M355 HydrophobicContact CB-CB 3.9Å; C345-M355 HydrophobicContact CB-CE 4.46Å; C345-M355 HydrophobicContact CB-CG 3.81Å; C345-M355 HydrophobicContact CB-SD 4.07Å; C345-C358 HydrophobicContact CB-CB 3.6Å; C345-C358 WeakPolarHBondContact CB-SG 3.43Å; C345-C358 WeakPolarHBondContact SG-CA 3.23Å; C345-C358 WeakPolarHBondContact SG-CB 3.45Å; C345-C358 CovalentContact SG-SG 2.03Å; C345-C358 PolarHBondContact SG-SG 2.86Å
346	A	97.4	Very high	97	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.7	-35.1	-179.5	0	0	0	0	0	112.8	T333 N344 G350 S351 M355	T333-A346 VanDerWaalsContact C-CB 3.45Å; N344-A346 PolarHBondContact O-N 3.11Å; N344-A346 WeakPolarHBondContact OD1-CB 3.31Å; N344-A346 PolarHBondContact OD1-N 2.93Å; N344-A346 VanDerWaalsContact OD1-N 3.16Å; A346-G350 WeakPolarHBondContact O-CA 3.48Å; A346-G350 PolarHBondContact O-N 3.5Å; A346-S351 CarbonylContact C-O 3.54Å; A346-S351 WeakPolarHBondContact CA-O 3.18Å; A346-S351 WeakPolarHBondContact CB-O 3.4Å; A346-S351 PolarHBondContact O-N 3.07Å; A346-M355 HydrophobicContact CB-CG 4.39Å
347	K	96.8	Very high	96.9	Very high	146 Å²	146	41.8 Å²	41.8	64%	0.635	20%	0.204	S	C	*	.	H	α-helix	trans	-74.8	-42.1	175.3	-175.1	177.4	178.3	-179.8	0	112.6	N344 C345	N344-K347 HydrophobicContact CB-CB 3.95Å; N344-K347 PolarHBondContact O-N 2.81Å; N344-K347 WeakPolarHBondContact OD1-CB 3.37Å; N344-K347 PolarHBondContact OD1-N 2.92Å; C345-K347 PolarHBondContact O-N 2.87Å
348	Q	95.6	Very high	96.8	Very high	48 Å²	48	40 Å²	40	22%	0.224	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-41.8	179.1	-70.8	178.2	-69.1	0	0	111.6	F341 N344 C345 G350	F341-Q348 VanDerWaalsContact CE1-OE1 3.29Å; N344-Q348 WeakPolarHBondContact O-CG 3.42Å; N344-Q348 PolarHBondContact O-N 3.24Å; C345-Q348 PolarHBondContact O-N 3.05Å; C345-Q348 VanDerWaalsContact O-N 3.11Å; Q348-G350 VanDerWaalsContact C-N 3.34Å
349	D	95.9	Very high	96.8	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.027	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-6.5	-176.5	-52.4	-23.7	0	0	0	112.4	C345 M355 H359 N385	C345-D349 WeakPolarHBondContact O-CB 3.45Å; C345-D349 PolarHBondContact O-N 2.88Å; D349-M355 HydrophobicContact CB-CE 4.2Å; D349-H359 IonicContact OD2-CD2 2.8Å; D349-H359 PolarHBondContact OD2-CD2 3.23Å; D349-H359 IonicContact OD2-NE2 3.21Å; D349-H359 PolarHBondContact OD2-NE2 3.03Å; D349-H359 VanDerWaalsContact OD2-NE2 3.16Å; D349-N385 HydrophobicContact CB-CB 3.87Å
350	G	96.3	Very high	96.8	Very high	19 Å²	19	38.4 Å²	38.4	20%	0.196	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	47.5	175.3	0	0	0	0	0	113.2	N224 A346 Q348	N224-G350 VanDerWaalsContact CA-O 3.24Å; N224-G350 WeakPolarHBondContact CA-O 3.26Å; N224-G350 WeakPolarHBondContact CB-O 3.16Å; A346-G350 WeakPolarHBondContact O-CA 3.48Å; A346-G350 PolarHBondContact O-N 3.5Å; Q348-G350 VanDerWaalsContact C-N 3.34Å
351	S	97.8	Very high	96.9	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	17%	0.166	C	C	.	.	S	Bend	trans	-159.3	164.3	-174.4	65	0	0	0	0	112.5	A346 H362 N364	A346-S351 CarbonylContact C-O 3.54Å; A346-S351 WeakPolarHBondContact CA-O 3.18Å; A346-S351 WeakPolarHBondContact CB-O 3.4Å; A346-S351 PolarHBondContact O-N 3.07Å; S351-H362 WeakPolarHBondContact CB-NE2 3.29Å; S351-H362 PolarHBondContact OG-CE1 2.82Å; S351-H362 PolarHBondContact OG-NE2 2.91Å; S351-N364 VanDerWaalsContact CB-O 3.31Å; S351-N364 WeakPolarHBondContact CB-O 3.45Å
352	G	98.6	Very high	97.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.			trans	-101	129.1	167.3	0	0	0	0	0	111	Y230 F331 S332 N364	Y230-G352 VanDerWaalsContact CZ-CA 3.44Å; Y230-G352 PolarHBondContact OH-N 2.77Å; F331-G352 WeakPolarHBondContact CZ-O 3.22Å; S332-G352 VanDerWaalsContact O-CA 3.23Å; S332-G352 WeakPolarHBondContact O-CA 3.44Å; G352-N364 WeakPolarHBondContact O-CB 3.33Å; G352-N364 PolarHBondContact O-ND2 3.37Å
353	W	98.8	Very high	97.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-159.9	170.2	-178.7	-161.4	-120	0	0	0	112.8	W246 F309 H326 S332 M355 A361 H362 L363 N364 M404	W246-W353 HydrophobicContact CH2-CZ3 4.49Å; W246-W353 HydrophobicContact CZ3-CZ3 4.35Å; F309-W353 AromaticContact CE1-CZ2 3.89Å; F309-W353 HydrophobicContact CE1-CZ2 3.89Å; F309-W353 HydrophobicContact CZ-CZ2 4.19Å; H326-W353 AromaticContact CD2-CD1 3.87Å; H326-W353 AromaticContact CD2-NE1 3.39Å; H326-W353 PolarHBondContact CD2-NE1 2.97Å; H326-W353 AromaticContact NE2-NE1 3.52Å; S332-W353 PolarHBondContact N-O 3.38Å; S332-W353 PolarHBondContact O-N 3.34Å; W353-M355 HydrophobicContact CB-CE 3.72Å; W353-M355 HydrophobicContact CB-CG 4.14Å; W353-M355 HydrophobicContact CB-SD 3.77Å; W353-M355 HydrophobicContact CG-SD 4.31Å; W353-M355 PolarHBondContact O-N 3.02Å; W353-A361 PolarHBondContact NE1-O 2.87Å; W353-H362 AromaticContact CD1-CD2 3.99Å; W353-H362 AromaticContact CG-CD2 3.81Å; W353-L363 HydrophobicContact CH2-CB 3.7Å; W353-L363 HydrophobicContact CH2-CD1 4.1Å; W353-L363 HydrophobicContact CH2-CG 3.77Å; W353-L363 HydrophobicContact CZ2-CB 4.39Å; W353-L363 HydrophobicContact CZ2-CG 4.16Å; W353-L363 HydrophobicContact CZ3-CB 4.13Å; W353-N364 HydrophobicContact CE3-CB 4.01Å; W353-N364 HydrophobicContact CZ3-CB 4.39Å; W353-M404 HydrophobicContact CH2-CE 4.43Å; W353-M404 HydrophobicContact CH2-SD 3.91Å; W353-M404 HydrophobicContact CZ3-SD 4.09Å
354	W	98.8	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.			trans	-78.2	68.4	169.5	-61.7	-75.7	0	0	0	110.8	W246 V286 Y293 L295 H326 M329 F331 M404	W246-W354 AromaticContact CH2-CH2 3.97Å; W246-W354 HydrophobicContact CH2-CH2 3.97Å; W246-W354 HydrophobicContact CH2-CZ3 4.3Å; V286-W354 HydrophobicContact CG2-CZ2 4Å; Y293-W354 PolarHBondContact O-NE1 3.44Å; L295-W354 HydrophobicContact CB-CB 4.21Å; L295-W354 VanDerWaalsContact CB-CD1 3.45Å; L295-W354 HydrophobicContact CB-CD2 3.69Å; L295-W354 HydrophobicContact CB-CE3 4.48Å; L295-W354 HydrophobicContact CB-CG 3.53Å; L295-W354 HydrophobicContact CB-CZ2 4.48Å; L295-W354 HydrophobicContact CD2-CB 4.37Å; L295-W354 HydrophobicContact CD2-CD2 4Å; L295-W354 HydrophobicContact CD2-CE3 4.01Å; L295-W354 HydrophobicContact CD2-CG 4.18Å; L295-W354 HydrophobicContact CG-CD2 4.32Å; L295-W354 HydrophobicContact CG-CG 4.47Å; H326-W354 PolarHBondContact CD2-O 2.76Å; H326-W354 VanDerWaalsContact CD2-O 3.27Å; M329-W354 HydrophobicContact CB-CB 4.03Å; F331-W354 AromaticContact CD2-CD1 3.8Å; F331-W354 AromaticContact CD2-CD2 3.93Å; F331-W354 HydrophobicContact CD2-CD2 3.93Å; F331-W354 AromaticContact CD2-CE2 3.67Å; F331-W354 HydrophobicContact CD2-CG 4.04Å; F331-W354 HydrophobicContact CD2-CZ2 4.21Å; F331-W354 AromaticContact CD2-NE1 3.58Å; F331-W354 HydrophobicContact CE2-CD2 4.31Å; F331-W354 HydrophobicContact CE2-CZ2 4.41Å; W354-M404 HydrophobicContact CH2-CE 4.15Å; W354-M404 HydrophobicContact CZ3-CE 3.94Å
355	M	98.4	Very high	97.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.086	C	C	.	.			trans	-69.9	141.3	-174.8	-62.4	-57.6	-165	0	0	112.2	D339 C345 A346 D349 W353 H359	D339-M355 HydrophobicContact CB-CB 3.61Å; C345-M355 HydrophobicContact CB-CB 3.9Å; C345-M355 HydrophobicContact CB-CE 4.46Å; C345-M355 HydrophobicContact CB-CG 3.81Å; C345-M355 HydrophobicContact CB-SD 4.07Å; A346-M355 HydrophobicContact CB-CG 4.39Å; D349-M355 HydrophobicContact CB-CE 4.2Å; W353-M355 HydrophobicContact CB-CE 3.72Å; W353-M355 HydrophobicContact CB-CG 4.14Å; W353-M355 HydrophobicContact CB-SD 3.77Å; W353-M355 HydrophobicContact CG-SD 4.31Å; W353-M355 PolarHBondContact O-N 3.02Å; M355-H359 HydrophobicContact SD-CB 4.43Å
356	N	98.2	Very high	97.7	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.021	11%	0.107	C	C	.	.	S	Bend	trans	-113.1	-99.4	168.3	-172.2	-15.2	0	0	0	108.8	F322 Y323 S325 M329 K340 F341 C358	F322-N356 PolarHBondContact O-ND2 3.18Å; Y323-N356 WeakPolarHBondContact O-CB 3.47Å; Y323-N356 PolarHBondContact O-ND2 3.5Å; Y323-N356 PolarHBondContact O-OD1 3.26Å; S325-N356 VanDerWaalsContact O-CB 3.29Å; S325-N356 WeakPolarHBondContact O-CB 3.41Å; S325-N356 PolarHBondContact O-ND2 2.78Å; S325-N356 PolarHBondContact OG-ND2 2.95Å; M329-N356 HydrophobicContact CG-CB 3.9Å; M329-N356 HydrophobicContact SD-CB 3.71Å; K340-N356 VanDerWaalsContact CB-OD1 3.29Å; K340-N356 WeakPolarHBondContact CB-OD1 3.21Å; K340-N356 WeakPolarHBondContact CG-OD1 3.41Å; K340-N356 PolarHBondContact N-O 3.47Å; F341-N356 PolarHBondContact N-O 2.99Å; N356-C358 PolarHBondContact N-O 3.38Å
357	R	96.6	Very high	97.7	Very high	121 Å²	121	24.4 Å²	24.4	46%	0.457	11%	0.112	S	C	.	.	S	Bend	trans	-146.6	72.5	172.8	-178.2	-176.3	178.2	-162.4	-2.7	111.6	Y323 F341	Y323-R357 HydrophobicContact CD1-CB 3.97Å; Y323-R357 HydrophobicContact CG-CB 4.21Å; Y323-R357 CarbonylContact O-C 3.35Å; Y323-R357 VanDerWaalsContact O-C 3.3Å; Y323-R357 WeakPolarHBondContact O-CA 3.45Å; Y323-R357 PolarHBondContact O-N 3.21Å; F341-R357 HydrophobicContact CB-CB 4.23Å; F341-R357 HydrophobicContact CB-CG 3.96Å; F341-R357 HydrophobicContact CD2-CG 3.75Å; F341-R357 HydrophobicContact CG-CG 4.12Å
358	C	95.8	Very high	97.7	Very high	29 Å²	29	18.4 Å²	18.4	20%	0.196	9%	0.086	C	C	.	.	S	Bend	cis	-101.8	-55.1	-13.5	-69.9	0	0	0	0	110.2	C345 N356	C345-C358 HydrophobicContact CB-CB 3.6Å; C345-C358 WeakPolarHBondContact CB-SG 3.43Å; C345-C358 WeakPolarHBondContact SG-CA 3.23Å; C345-C358 WeakPolarHBondContact SG-CB 3.45Å; C345-C358 CovalentContact SG-SG 2.03Å; C345-C358 PolarHBondContact SG-SG 2.86Å; N356-C358 PolarHBondContact N-O 3.38Å
359	H	98.1	Very high	97.8	Very high	7 Å²	7	21.1 Å²	21.1	3%	0.032	11%	0.108	C	C	.	.			trans	-159.8	150.9	-174.4	55	58.7	0	0	0	113.3	H326 D349 M355 H362 D384 I388	H326-H359 WeakPolarHBondContact NE2-CB 3.05Å; D349-H359 IonicContact OD2-CD2 2.8Å; D349-H359 PolarHBondContact OD2-CD2 3.23Å; D349-H359 IonicContact OD2-NE2 3.21Å; D349-H359 PolarHBondContact OD2-NE2 3.03Å; D349-H359 VanDerWaalsContact OD2-NE2 3.16Å; M355-H359 HydrophobicContact SD-CB 4.43Å; H359-H362 AromaticContact CD2-CG 3.84Å; H359-H362 AromaticContact NE2-CG 3.83Å; H359-H362 AromaticContact NE2-ND1 3.61Å; H359-D384 PolarHBondContact CE1-O 2.61Å; H359-D384 VanDerWaalsContact CE1-O 3.23Å; H359-D384 IonicContact CE1-OD2 3.32Å; H359-D384 PolarHBondContact NE2-O 3.36Å; H359-I388 WeakPolarHBondContact ND1-CD1 3.37Å
360	A	98.1	Very high	97.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-102.5	-14.4	162.2	0	0	0	0	0	113	A308 F312 F314 T324 H326 A390	A308-A360 WeakPolarHBondContact O-CB 3.4Å; F312-A360 HydrophobicContact CB-CB 3.68Å; F314-A360 HydrophobicContact CE2-CB 4.48Å; T324-A360 WeakPolarHBondContact O-CB 3.46Å; T324-A360 PolarHBondContact O-N 2.9Å; H326-A360 PolarHBondContact CE1-N 3.37Å; A360-A390 HydrophobicContact CB-CB 4.16Å; A360-A390 WeakPolarHBondContact O-CB 3.49Å; A360-A390 PolarHBondContact O-N 3.44Å
361	A	98.3	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	127.7	-179.6	0	0	0	0	0	107.8	A308 F309 H326 W353 W389	A308-A361 HydrophobicContact CB-CB 3.79Å; F309-A361 HydrophobicContact CD1-CB 3.85Å; F309-A361 HydrophobicContact CE1-CB 3.82Å; H326-A361 PolarHBondContact CE1-N 2.82Å; H326-A361 PolarHBondContact NE2-O 3.07Å; W353-A361 PolarHBondContact NE1-O 2.87Å; A361-W389 HydrophobicContact CB-CD2 4.34Å; A361-W389 HydrophobicContact CB-CE3 3.47Å; A361-W389 VanDerWaalsContact CB-CE3 3.47Å; A361-W389 HydrophobicContact CB-CH2 4.25Å; A361-W389 HydrophobicContact CB-CZ3 3.42Å; A361-W389 VanDerWaalsContact CB-CZ3 3.42Å
362	H	98.6	Very high	97.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	86.5	-175.1	-172.1	-144.2	0	0	0	110.9	S351 W353 H359 N364 G365 G386 I387 I388	S351-H362 WeakPolarHBondContact CB-NE2 3.29Å; S351-H362 PolarHBondContact OG-CE1 2.82Å; S351-H362 PolarHBondContact OG-NE2 2.91Å; W353-H362 AromaticContact CD1-CD2 3.99Å; W353-H362 AromaticContact CG-CD2 3.81Å; H359-H362 AromaticContact CD2-CG 3.84Å; H359-H362 AromaticContact NE2-CG 3.83Å; H359-H362 AromaticContact NE2-ND1 3.61Å; H362-N364 VanDerWaalsContact C-N 3.31Å; H362-N364 PolarHBondContact O-N 2.88Å; H362-G365 WeakPolarHBondContact CE1-CA 3.21Å; H362-G365 WeakPolarHBondContact ND1-CA 3.45Å; H362-G386 PolarHBondContact ND1-O 3.4Å; H362-I387 CarbonylContact O-C 3.5Å; H362-I387 WeakPolarHBondContact O-CA 3.33Å; H362-I388 HydrophobicContact CB-CG1 3.7Å; H362-I388 PolarHBondContact N-O 2.99Å; H362-I388 PolarHBondContact O-N 3Å; H362-I388 VanDerWaalsContact O-N 3.11Å
363	L	98.8	Very high	97.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.2	-173.9	-51.6	-176.5	0	0	0	113.1	Q214 R216 I267 L269 W353 W389 T402 M404	Q214-L363 PolarHBondContact NE2-O 2.81Å; R216-L363 PolarHBondContact NH1-O 3.49Å; I267-L363 HydrophobicContact CD1-CD1 4.1Å; I267-L363 HydrophobicContact CG1-CD1 4.33Å; I267-L363 HydrophobicContact CG2-CD1 3.73Å; L269-L363 HydrophobicContact CD2-CD2 3.76Å; W353-L363 HydrophobicContact CH2-CB 3.7Å; W353-L363 HydrophobicContact CH2-CD1 4.1Å; W353-L363 HydrophobicContact CH2-CG 3.77Å; W353-L363 HydrophobicContact CZ2-CB 4.39Å; W353-L363 HydrophobicContact CZ2-CG 4.16Å; W353-L363 HydrophobicContact CZ3-CB 4.13Å; L363-W389 HydrophobicContact CD2-CE3 3.95Å; L363-W389 HydrophobicContact CD2-CZ3 4.4Å; L363-T402 HydrophobicContact CD2-CG2 4Å; L363-M404 HydrophobicContact CD1-CG 3.68Å; L363-M404 HydrophobicContact CD1-SD 3.98Å
364	N	98.8	Very high	97.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	5.5	-179.7	-69.4	-6.5	0	0	0	113	Q214 F223 Y230 W246 S351 G352 W353 H362	Q214-N364 PolarHBondContact NE2-OD1 2.81Å; Q214-N364 VanDerWaalsContact NE2-OD1 3.12Å; F223-N364 VanDerWaalsContact CB-O 3.25Å; F223-N364 WeakPolarHBondContact CB-O 3.44Å; F223-N364 HydrophobicContact CD1-CB 3.91Å; Y230-N364 WeakPolarHBondContact CE1-ND2 3.31Å; W246-N364 WeakPolarHBondContact CZ3-ND2 3.3Å; S351-N364 VanDerWaalsContact CB-O 3.31Å; S351-N364 WeakPolarHBondContact CB-O 3.45Å; G352-N364 WeakPolarHBondContact O-CB 3.33Å; G352-N364 PolarHBondContact O-ND2 3.37Å; W353-N364 HydrophobicContact CE3-CB 4.01Å; W353-N364 HydrophobicContact CZ3-CB 4.39Å; H362-N364 VanDerWaalsContact C-N 3.31Å; H362-N364 PolarHBondContact O-N 2.88Å
365	G	97.8	Very high	97.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.01	21%	0.206	C	C	.	.	S	Bend	trans	-66.1	176.6	178.5	0	0	0	0	0	114	R216 H362 N385 I387	R216-G365 VanDerWaalsContact CZ-O 3.31Å; R216-G365 PolarHBondContact NH1-O 3.27Å; R216-G365 PolarHBondContact NH2-O 2.95Å; H362-G365 WeakPolarHBondContact CE1-CA 3.21Å; H362-G365 WeakPolarHBondContact ND1-CA 3.45Å; G365-N385 CarbonylContact C-O 3.59Å; G365-N385 WeakPolarHBondContact CA-O 3.32Å; G365-I387 WeakPolarHBondContact O-CG1 3.24Å
366	K	97.4	Very high	97	Very high	100 Å²	100	49.5 Å²	49.5	44%	0.435	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-64.4	134.8	179.9	-178.6	168.2	165.1	-164.9	0	111	Y368 D377 N385 G386 S398	K366-Y368 HydrophobicContact CB-CD2 4.32Å; K366-Y368 HydrophobicContact CB-CE2 3.74Å; K366-Y368 HydrophobicContact CD-CE1 4.35Å; K366-Y368 HydrophobicContact CD-CE2 3.98Å; K366-Y368 WeakPolarHBondContact CD-OH 3.49Å; K366-Y368 HydrophobicContact CG-CD2 4.3Å; K366-Y368 HydrophobicContact CG-CE2 3.79Å; K366-Y368 PolarHBondContact NZ-OH 3.45Å; K366-Y368 WeakPolarHBondContact O-CD2 3.37Å; K366-Y368 PolarHBondContact O-N 3.04Å; K366-D377 PolarHBondContact NZ-O 3.3Å; K366-N385 WeakPolarHBondContact CB-O 3.41Å; K366-N385 PolarHBondContact N-O 2.83Å; K366-G386 WeakPolarHBondContact O-CA 3.4Å; K366-S398 PolarHBondContact O-OG 2.7Å
367	Y	98	Very high	96.8	Very high	31 Å²	31	53.1 Å²	53.1	12%	0.122	27%	0.266	C	S	.	.			trans	-76.7	118.3	177.7	-164.5	-88.8	0	0	0	109.6	R217 W272 P369 I387 K400	R217-Y367 PolarHBondContact O-OH 3.35Å; W272-Y367 AromaticContact CH2-CE1 3.85Å; W272-Y367 HydrophobicContact CH2-CE1 3.85Å; W272-Y367 AromaticContact CH2-CZ 3.91Å; W272-Y367 WeakPolarHBondContact CH2-OH 3.48Å; W272-Y367 HydrophobicContact CZ2-CE1 4Å; W272-Y367 AromaticContact CZ2-CZ 3.93Å; Y367-P369 HydrophobicContact CD1-CG 4.19Å; Y367-P369 HydrophobicContact CE1-CG 4.3Å; Y367-P369 WeakPolarHBondContact O-CD 3.34Å; Y367-I387 HydrophobicContact CD2-CD1 3.55Å; Y367-I387 HydrophobicContact CE2-CD1 4.27Å; Y367-I387 HydrophobicContact CG-CD1 4.37Å; Y367-K400 VanDerWaalsContact CE2-O 3.25Å; Y367-K400 WeakPolarHBondContact CE2-O 3.43Å; Y367-K400 PolarHBondContact OH-O 3.16Å; Y367-K400 VanDerWaalsContact OH-O 3.13Å
368	Y	97.9	Very high	96.4	Very high	20 Å²	20	47.8 Å²	47.8	8%	0.078	25%	0.248	C	C	.	.			trans	-112.3	103.3	178.5	-75.5	-82.1	0	0	0	110.1	W272 K366 G370 G371 Y373 D377 A378 N385	W272-Y368 WeakPolarHBondContact CZ2-O 3.41Å; K366-Y368 HydrophobicContact CB-CD2 4.32Å; K366-Y368 HydrophobicContact CB-CE2 3.74Å; K366-Y368 HydrophobicContact CD-CE1 4.35Å; K366-Y368 HydrophobicContact CD-CE2 3.98Å; K366-Y368 WeakPolarHBondContact CD-OH 3.49Å; K366-Y368 HydrophobicContact CG-CD2 4.3Å; K366-Y368 HydrophobicContact CG-CE2 3.79Å; K366-Y368 PolarHBondContact NZ-OH 3.45Å; K366-Y368 WeakPolarHBondContact O-CD2 3.37Å; K366-Y368 PolarHBondContact O-N 3.04Å; Y368-G370 PolarHBondContact O-N 3.24Å; Y368-G371 PolarHBondContact O-N 2.9Å; Y368-Y373 HydrophobicContact CD1-CG 4.09Å; Y368-Y373 AromaticContact CD2-CD1 3.89Å; Y368-Y373 HydrophobicContact CD2-CD1 3.89Å; Y368-Y373 HydrophobicContact CD2-CD2 4.08Å; Y368-Y373 HydrophobicContact CD2-CE1 4.23Å; Y368-Y373 HydrophobicContact CD2-CE2 4.4Å; Y368-Y373 AromaticContact CD2-CG 3.81Å; Y368-Y373 HydrophobicContact CD2-CG 3.81Å; Y368-Y373 HydrophobicContact CE1-CD2 4.27Å; Y368-Y373 HydrophobicContact CE1-CG 4.26Å; Y368-Y373 HydrophobicContact CE2-CD1 4.41Å; Y368-Y373 AromaticContact CE2-CD2 3.78Å; Y368-Y373 HydrophobicContact CE2-CD2 3.78Å; Y368-Y373 HydrophobicContact CE2-CE2 4Å; Y368-Y373 AromaticContact CE2-CG 4Å; Y368-Y373 HydrophobicContact CE2-CG 4Å; Y368-Y373 HydrophobicContact CG-CD1 4.07Å; Y368-Y373 HydrophobicContact CG-CD2 4.45Å; Y368-Y373 AromaticContact CG-CG 3.86Å; Y368-Y373 HydrophobicContact CG-CG 3.86Å; Y368-Y373 AromaticContact CZ-CD2 3.88Å; Y368-D377 HydrophobicContact CE1-CB 3.86Å; Y368-D377 PolarHBondContact OH-O 2.66Å; Y368-A378 WeakPolarHBondContact OH-CA 3.47Å; Y368-N385 WeakPolarHBondContact CE2-OD1 3.43Å; Y368-N385 PolarHBondContact OH-OD1 3.45Å
369	P	96.8	Very high	96	Very high	105 Å²	105	48.4 Å²	48.4	68%	0.682	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	131.4	178.8	-25.8	35.1	0	0	0	112.5	W272 Y367 G371	W272-P369 VanDerWaalsContact CH2-CA 3.49Å; W272-P369 HydrophobicContact CH2-CB 4.25Å; Y367-P369 HydrophobicContact CD1-CG 4.19Å; Y367-P369 HydrophobicContact CE1-CG 4.3Å; Y367-P369 WeakPolarHBondContact O-CD 3.34Å; P369-G371 VanDerWaalsContact C-N 3.25Å; P369-G371 PolarHBondContact O-N 3Å
370	G	96.1	Very high	95.4	Very high	46 Å²	46	58.2 Å²	58.2	47%	0.474	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-3.7	-176.6	0	0	0	0	0	114.8	W272 Y368 K372	W272-G370 VanDerWaalsContact CH2-N 3.27Å; Y368-G370 PolarHBondContact O-N 3.24Å; G370-K372 VanDerWaalsContact C-N 3.27Å; G370-K372 PolarHBondContact O-N 3.11Å
371	G	96.3	Very high	94.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.322	C	S	.	.	S	Bend	trans	81.9	-47.4	166.3	0	0	0	0	0	115.5	W272 Y368 P369 Y373 Y397 S398	W272-G371 VanDerWaalsContact NE1-N 3.17Å; Y368-G371 PolarHBondContact O-N 2.9Å; P369-G371 VanDerWaalsContact C-N 3.25Å; P369-G371 PolarHBondContact O-N 3Å; G371-Y373 PolarHBondContact O-N 2.91Å; G371-Y397 CarbonylContact O-C 3.31Å; G371-Y397 WeakPolarHBondContact O-CA 3.01Å; G371-S398 WeakPolarHBondContact CA-O 3.44Å; G371-S398 PolarHBondContact O-N 2.74Å
372	K	97.1	Very high	94.3	Very high	176 Å²	176	61 Å²	61	77%	0.765	33%	0.326	S	S	*	.	B	Isolated β-bridge	trans	-73.2	128.9	177.8	-67	-177.5	-179.9	-179.9	0	110.6	G370 Y397	G370-K372 VanDerWaalsContact C-N 3.27Å; G370-K372 PolarHBondContact O-N 3.11Å; K372-Y397 HydrophobicContact CG-CD2 4.28Å
373	Y	97.3	Very high	94	Very high	8 Å²	8	67.2 Å²	67.2	3%	0.031	35%	0.351	C	S	.	.			trans	-140.7	166.7	172.6	70.3	-78.1	0	0	0	110.1	Y368 G371 D384 N385 G386 R395 W396	Y368-Y373 HydrophobicContact CD1-CG 4.09Å; Y368-Y373 AromaticContact CD2-CD1 3.89Å; Y368-Y373 HydrophobicContact CD2-CD1 3.89Å; Y368-Y373 HydrophobicContact CD2-CD2 4.08Å; Y368-Y373 HydrophobicContact CD2-CE1 4.23Å; Y368-Y373 HydrophobicContact CD2-CE2 4.4Å; Y368-Y373 AromaticContact CD2-CG 3.81Å; Y368-Y373 HydrophobicContact CD2-CG 3.81Å; Y368-Y373 HydrophobicContact CE1-CD2 4.27Å; Y368-Y373 HydrophobicContact CE1-CG 4.26Å; Y368-Y373 HydrophobicContact CE2-CD1 4.41Å; Y368-Y373 AromaticContact CE2-CD2 3.78Å; Y368-Y373 HydrophobicContact CE2-CD2 3.78Å; Y368-Y373 HydrophobicContact CE2-CE2 4Å; Y368-Y373 AromaticContact CE2-CG 4Å; Y368-Y373 HydrophobicContact CE2-CG 4Å; Y368-Y373 HydrophobicContact CG-CD1 4.07Å; Y368-Y373 HydrophobicContact CG-CD2 4.45Å; Y368-Y373 AromaticContact CG-CG 3.86Å; Y368-Y373 HydrophobicContact CG-CG 3.86Å; Y368-Y373 AromaticContact CZ-CD2 3.88Å; G371-Y373 PolarHBondContact O-N 2.91Å; Y373-D384 WeakPolarHBondContact OH-CB 3.5Å; Y373-N385 PolarHBondContact OH-N 3.35Å; Y373-G386 WeakPolarHBondContact OH-CA 3.42Å; Y373-G386 PolarHBondContact OH-N 3.14Å; Y373-R395 PolarHBondContact OH-O 3.16Å; Y373-W396 AromaticContact CD2-CE3 3.57Å; Y373-W396 HydrophobicContact CD2-CE3 3.57Å; Y373-W396 AromaticContact CD2-CZ3 3.7Å; Y373-W396 HydrophobicContact CD2-CZ3 3.7Å; Y373-W396 AromaticContact CE2-CE3 3.38Å; Y373-W396 HydrophobicContact CE2-CE3 3.38Å; Y373-W396 AromaticContact CE2-CZ3 3.44Å; Y373-W396 HydrophobicContact CE2-CZ3 3.44Å; Y373-W396 VanDerWaalsContact CE2-CZ3 3.44Å; Y373-W396 HydrophobicContact CG-CE3 4.26Å; Y373-W396 AromaticContact CZ-CE3 3.95Å; Y373-W396 PolarHBondContact N-O 3.03Å
374	T	95.8	Very high	93.8	Very high	72 Å²	72	68.1 Å²	68.1	44%	0.442	36%	0.355	S	S	.	.			trans	-126.1	168.6	-178.1	68	0	0	0	0	111.2	K376 D377 A378	T374-K376 PolarHBondContact O-N 3.3Å; T374-K376 VanDerWaalsContact O-N 3.16Å; T374-D377 WeakPolarHBondContact CB-OD2 3.41Å; T374-D377 PolarHBondContact N-OD2 2.94Å; T374-D377 WeakPolarHBondContact O-CA 3.38Å; T374-D377 WeakPolarHBondContact O-CB 3.36Å; T374-D377 PolarHBondContact O-N 3.25Å; T374-D377 PolarHBondContact OG1-OD2 3.23Å; T374-A378 PolarHBondContact O-N 2.77Å; T374-A378 VanDerWaalsContact O-N 3.16Å
375	E	93.5	Very high	93.7	Very high	126 Å²	126	68.6 Å²	68.6	59%	0.589	36%	0.358	S	S	*	.	H	α-helix	trans	-50.1	-37.6	172.9	166.4	170.9	-157.4	0	0	112.6	D377 A378 G382 W396	E375-D377 VanDerWaalsContact C-N 3.28Å; E375-D377 PolarHBondContact O-N 3.41Å; E375-A378 WeakPolarHBondContact O-CB 3.29Å; E375-A378 PolarHBondContact O-N 2.77Å; E375-G382 VanDerWaalsContact CG-O 3.28Å; E375-G382 WeakPolarHBondContact CG-O 3.31Å; E375-W396 HydrophobicContact CB-CH2 3.75Å; E375-W396 HydrophobicContact CB-CZ2 4.21Å; E375-W396 HydrophobicContact CB-CZ3 4.4Å
376	K	92.1	Very high	93.7	Very high	193 Å²	193	68.5 Å²	68.5	84%	0.839	36%	0.357	S	S	*	.	H	α-helix	trans	-65.4	-32.9	177.4	-64.4	-178.8	-179.2	177.7	0	112.6	T374 A378	T374-K376 PolarHBondContact O-N 3.3Å; T374-K376 VanDerWaalsContact O-N 3.16Å; K376-A378 VanDerWaalsContact C-N 3.33Å
377	D	92.9	Very high	93.8	Very high	80 Å²	80	63.8 Å²	63.8	43%	0.428	34%	0.337	S	S	.	.	H	α-helix	trans	-79.7	-20.5	179.2	-50.8	-56.1	0	0	0	112	K366 Y368 T374 E375 G379	K366-D377 PolarHBondContact NZ-O 3.3Å; Y368-D377 HydrophobicContact CE1-CB 3.86Å; Y368-D377 PolarHBondContact OH-O 2.66Å; T374-D377 WeakPolarHBondContact CB-OD2 3.41Å; T374-D377 PolarHBondContact N-OD2 2.94Å; T374-D377 WeakPolarHBondContact O-CA 3.38Å; T374-D377 WeakPolarHBondContact O-CB 3.36Å; T374-D377 PolarHBondContact O-N 3.25Å; T374-D377 PolarHBondContact OG1-OD2 3.23Å; E375-D377 VanDerWaalsContact C-N 3.28Å; E375-D377 PolarHBondContact O-N 3.41Å; D377-G379 VanDerWaalsContact C-N 3.28Å; D377-G379 PolarHBondContact O-N 3.38Å
378	A	89.8	Confident	93.8	Very high	9 Å²	9	62.3 Å²	62.3	7%	0.074	33%	0.331	C	S	.	.	H	α-helix	trans	-74.9	-14	179.2	0	0	0	0	0	114	Y368 T374 E375 K376 Y383 N385 W396	Y368-A378 WeakPolarHBondContact OH-CA 3.47Å; T374-A378 PolarHBondContact O-N 2.77Å; T374-A378 VanDerWaalsContact O-N 3.16Å; E375-A378 WeakPolarHBondContact O-CB 3.29Å; E375-A378 PolarHBondContact O-N 2.77Å; K376-A378 VanDerWaalsContact C-N 3.33Å; A378-Y383 WeakPolarHBondContact CB-O 3.34Å; A378-N385 PolarHBondContact O-ND2 3.24Å; A378-W396 HydrophobicContact CB-CZ3 4.38Å
379	G	87.8	Confident	93.8	Very high	43 Å²	43	61.4 Å²	61.4	44%	0.443	33%	0.327	S	S	.	.			trans	90.2	-162.7	178.8	0	0	0	0	0	112.8	D377 S381 G382	D377-G379 VanDerWaalsContact C-N 3.28Å; D377-G379 PolarHBondContact O-N 3.38Å; G379-S381 VanDerWaalsContact C-N 3.26Å; G379-S381 PolarHBondContact O-N 2.92Å; G379-G382 PolarHBondContact O-N 3.05Å; G379-G382 VanDerWaalsContact O-N 3.08Å
380	E	83.6	Confident	93.9	Very high	212 Å²	212	56.8 Å²	56.8	99%	0.991	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.5	-168.1	-65.1	-177.8	173.5	0	0	114.6
381	S	85	Confident	94	Very high	51 Å²	51	56.9 Å²	56.9	36%	0.357	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-25.5	178.9	-62.8	0	0	0	0	112.7	G379 Y383	G379-S381 VanDerWaalsContact C-N 3.26Å; G379-S381 PolarHBondContact O-N 2.92Å; S381-Y383 WeakPolarHBondContact O-CD2 3.4Å; S381-Y383 WeakPolarHBondContact O-CE2 3.32Å; S381-Y383 PolarHBondContact O-N 3.39Å
382	G	88.6	Confident	94.1	Very high	9 Å²	9	59 Å²	59	9%	0.093	30%	0.297	C	S	.	.			trans	71.1	1.9	175.2	0	0	0	0	0	117.3	E375 G379	E375-G382 VanDerWaalsContact CG-O 3.28Å; E375-G382 WeakPolarHBondContact CG-O 3.31Å; G379-G382 PolarHBondContact O-N 3.05Å; G379-G382 VanDerWaalsContact O-N 3.08Å
383	Y	92.6	Very high	94.1	Very high	130 Å²	130	52.5 Å²	52.5	51%	0.51	27%	0.27	S	S	.	.	S	Bend	trans	-90.5	163	-179.7	-60	-72.5	0	0	0	113	A378 S381 N385	A378-Y383 WeakPolarHBondContact CB-O 3.34Å; S381-Y383 WeakPolarHBondContact O-CD2 3.4Å; S381-Y383 WeakPolarHBondContact O-CE2 3.32Å; S381-Y383 PolarHBondContact O-N 3.39Å; Y383-N385 PolarHBondContact O-N 2.97Å; Y383-N385 VanDerWaalsContact O-N 3.12Å
384	D	94.9	Very high	94	Very high	18 Å²	18	55.9 Å²	55.9	10%	0.096	29%	0.294	C	S	.	.			trans	-67.4	105.1	176.7	51.8	-67.1	0	0	0	112	H359 Y373 R395 W396	H359-D384 PolarHBondContact CE1-O 2.61Å; H359-D384 VanDerWaalsContact CE1-O 3.23Å; H359-D384 IonicContact CE1-OD2 3.32Å; H359-D384 PolarHBondContact NE2-O 3.36Å; Y373-D384 WeakPolarHBondContact OH-CB 3.5Å; D384-R395 HydrophobicContact CB-CB 4.04Å; D384-R395 HydrophobicContact CB-CG 3.88Å; D384-R395 WeakPolarHBondContact CB-O 3.38Å; D384-R395 VanDerWaalsContact OD1-CD 3.31Å; D384-R395 WeakPolarHBondContact OD1-CD 3.47Å; D384-R395 WeakPolarHBondContact OD2-CB 3.15Å; D384-R395 WeakPolarHBondContact OD2-CD 3.47Å; D384-W396 HydrophobicContact CB-CH2 4.44Å; D384-W396 HydrophobicContact CB-CZ3 4.48Å
385	N	97.1	Very high	94.1	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.053	28%	0.282	C	S	.	.			trans	-119	20.5	-176.6	63.9	-2	0	0	0	114.3	D349 G365 K366 Y368 Y373 A378 Y383	D349-N385 HydrophobicContact CB-CB 3.87Å; G365-N385 CarbonylContact C-O 3.59Å; G365-N385 WeakPolarHBondContact CA-O 3.32Å; K366-N385 WeakPolarHBondContact CB-O 3.41Å; K366-N385 PolarHBondContact N-O 2.83Å; Y368-N385 WeakPolarHBondContact CE2-OD1 3.43Å; Y368-N385 PolarHBondContact OH-OD1 3.45Å; Y373-N385 PolarHBondContact OH-N 3.35Å; A378-N385 PolarHBondContact O-ND2 3.24Å; Y383-N385 PolarHBondContact O-N 2.97Å; Y383-N385 VanDerWaalsContact O-N 3.12Å
386	G	98	Very high	94.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-82.6	-175.6	-179.9	0	0	0	0	0	113.4	H362 K366 Y373 I388	H362-G386 PolarHBondContact ND1-O 3.4Å; K366-G386 WeakPolarHBondContact O-CA 3.4Å; Y373-G386 WeakPolarHBondContact OH-CA 3.42Å; Y373-G386 PolarHBondContact OH-N 3.14Å; G386-I388 PolarHBondContact O-N 3.16Å
387	I	98.6	Very high	94.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-81	84.3	173.7	-55.4	177.6	0	0	0	108.9	R216 H362 G365 Y367 S398 L399 T402	R216-I387 HydrophobicContact CB-CD1 4.16Å; R216-I387 HydrophobicContact CG-CD1 4.22Å; R216-I387 VanDerWaalsContact CZ-CD1 3.48Å; H362-I387 CarbonylContact O-C 3.5Å; H362-I387 WeakPolarHBondContact O-CA 3.33Å; G365-I387 WeakPolarHBondContact O-CG1 3.24Å; Y367-I387 HydrophobicContact CD2-CD1 3.55Å; Y367-I387 HydrophobicContact CE2-CD1 4.27Å; Y367-I387 HydrophobicContact CG-CD1 4.37Å; I387-S398 WeakPolarHBondContact CB-OG 3.41Å; I387-S398 PolarHBondContact N-OG 2.03Å; I387-S398 CarbonylContact O-C 3.49Å; I387-S398 WeakPolarHBondContact O-CA 3.46Å; I387-L399 HydrophobicContact CB-CB 4.41Å; I387-L399 HydrophobicContact CG2-CB 3.99Å; I387-L399 WeakPolarHBondContact O-CG 3.27Å; I387-L399 PolarHBondContact O-N 2.95Å; I387-T402 HydrophobicContact CG2-CG2 3.41Å; I387-T402 VanDerWaalsContact CG2-CG2 3.41Å
388	I	98.3	Very high	94.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	152.6	-168	70.9	156.8	0	0	0	114.2	H359 H362 G386 R395	H359-I388 WeakPolarHBondContact ND1-CD1 3.37Å; H362-I388 HydrophobicContact CB-CG1 3.7Å; H362-I388 PolarHBondContact N-O 2.99Å; H362-I388 PolarHBondContact O-N 3Å; H362-I388 VanDerWaalsContact O-N 3.11Å; G386-I388 PolarHBondContact O-N 3.16Å; I388-R395 HydrophobicContact CD1-CB 4.24Å; I388-R395 WeakPolarHBondContact CG2-O 3.25Å
389	W	98.6	Very high	95.2	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	95.5	169.7	-166.2	-92.9	0	0	0	110.2	I267 L269 A279 Y281 A305 G306 A308 F309 A361 L363 T391 W392 H393 L399	I267-W389 HydrophobicContact CD1-CH2 3.59Å; I267-W389 HydrophobicContact CD1-CZ3 3.72Å; I267-W389 HydrophobicContact CG2-CH2 4.4Å; I267-W389 HydrophobicContact CG2-CZ3 4.24Å; L269-W389 HydrophobicContact CD1-CB 3.78Å; L269-W389 HydrophobicContact CD1-CD2 3.67Å; L269-W389 HydrophobicContact CD1-CE3 4.27Å; L269-W389 HydrophobicContact CD1-CG 3.42Å; L269-W389 VanDerWaalsContact CD1-CG 3.42Å; A279-W389 HydrophobicContact CB-CH2 4.31Å; A279-W389 HydrophobicContact CB-CZ2 3.65Å; Y281-W389 HydrophobicContact CE2-CH2 4.07Å; Y281-W389 HydrophobicContact CE2-CZ2 4.43Å; Y281-W389 WeakPolarHBondContact OH-CH2 3.44Å; Y281-W389 WeakPolarHBondContact OH-CZ2 3.42Å; A305-W389 PolarHBondContact O-NE1 3.1Å; G306-W389 WeakPolarHBondContact O-CZ2 3.38Å; G306-W389 PolarHBondContact O-NE1 3.03Å; A308-W389 HydrophobicContact CB-CD2 3.67Å; A308-W389 VanDerWaalsContact CB-CE2 3.43Å; A308-W389 HydrophobicContact CB-CE3 4.07Å; A308-W389 HydrophobicContact CB-CG 4.16Å; A308-W389 HydrophobicContact CB-CH2 4.04Å; A308-W389 HydrophobicContact CB-CZ2 3.65Å; A308-W389 HydrophobicContact CB-CZ3 4.25Å; F309-W389 HydrophobicContact CD1-CH2 4.43Å; F309-W389 HydrophobicContact CE1-CH2 4.41Å; F309-W389 HydrophobicContact CE1-CZ3 4.18Å; F309-W389 HydrophobicContact CZ-CZ3 4.47Å; A361-W389 HydrophobicContact CB-CD2 4.34Å; A361-W389 HydrophobicContact CB-CE3 3.47Å; A361-W389 VanDerWaalsContact CB-CE3 3.47Å; A361-W389 HydrophobicContact CB-CH2 4.25Å; A361-W389 HydrophobicContact CB-CZ3 3.42Å; A361-W389 VanDerWaalsContact CB-CZ3 3.42Å; L363-W389 HydrophobicContact CD2-CE3 3.95Å; L363-W389 HydrophobicContact CD2-CZ3 4.4Å; W389-T391 VanDerWaalsContact C-N 3.32Å; W389-T391 VanDerWaalsContact CD1-OG1 3.29Å; W389-T391 PolarHBondContact NE1-OG1 3.36Å; W389-T391 PolarHBondContact O-N 3.44Å; W389-W392 PolarHBondContact O-N 2.79Å; W389-H393 PolarHBondContact O-N 3.42Å; W389-L399 HydrophobicContact CB-CD1 4.01Å
390	A	98.1	Very high	95.7	Very high	7 Å²	7	41.4 Å²	41.4	6%	0.058	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.1	-163.5	0	0	0	0	0	114.9	F312 F314 A360 W392 H393	F312-A390 HydrophobicContact CB-CB 3.66Å; F312-A390 HydrophobicContact CD1-CB 3.88Å; F312-A390 HydrophobicContact CD2-CB 4.02Å; F312-A390 HydrophobicContact CG-CB 3.57Å; F314-A390 HydrophobicContact CE1-CB 3.86Å; F314-A390 HydrophobicContact CZ-CB 3.62Å; A360-A390 HydrophobicContact CB-CB 4.16Å; A360-A390 WeakPolarHBondContact O-CB 3.49Å; A360-A390 PolarHBondContact O-N 3.44Å; A390-W392 PolarHBondContact O-N 2.78Å; A390-H393 WeakPolarHBondContact CA-O 3.49Å
391	T	98.1	Very high	96.4	Very high	48 Å²	48	33 Å²	33	29%	0.294	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.9	177.7	54	0	0	0	0	113.7	A305 G306 A308 F312 W389	A305-T391 WeakPolarHBondContact O-CB 3.26Å; A305-T391 PolarHBondContact O-OG1 2.9Å; G306-T391 VanDerWaalsContact C-OG1 3.32Å; G306-T391 PolarHBondContact O-OG1 3.24Å; A308-T391 HydrophobicContact CB-CG2 4.13Å; F312-T391 HydrophobicContact CD2-CG2 4.02Å; W389-T391 VanDerWaalsContact C-N 3.32Å; W389-T391 VanDerWaalsContact CD1-OG1 3.29Å; W389-T391 PolarHBondContact NE1-OG1 3.36Å; W389-T391 PolarHBondContact O-N 3.44Å
392	W	98.1	Very high	97.1	Very high	45 Å²	45	30.6 Å²	30.6	17%	0.17	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-47.5	176.9	-177	22	0	0	0	113	L269 D271 N275 K277 W389 A390 L399	L269-W392 HydrophobicContact CB-CE3 4.01Å; L269-W392 HydrophobicContact CB-CZ3 3.53Å; L269-W392 HydrophobicContact CD1-CE3 4.02Å; L269-W392 HydrophobicContact CD1-CZ3 4.41Å; D271-W392 HydrophobicContact CB-CH2 3.66Å; D271-W392 HydrophobicContact CB-CZ2 3.95Å; D271-W392 HydrophobicContact CB-CZ3 4.43Å; N275-W392 HydrophobicContact CB-CZ2 4.07Å; N275-W392 WeakPolarHBondContact O-CH2 3.46Å; K277-W392 HydrophobicContact CB-CD2 4.34Å; K277-W392 HydrophobicContact CB-CE3 4.23Å; K277-W392 HydrophobicContact CB-CH2 4.32Å; K277-W392 HydrophobicContact CB-CZ2 4.45Å; K277-W392 HydrophobicContact CB-CZ3 4.23Å; K277-W392 HydrophobicContact CD-CD2 3.61Å; K277-W392 VanDerWaalsContact CD-CE2 3.46Å; K277-W392 HydrophobicContact CD-CE3 4.31Å; K277-W392 HydrophobicContact CD-CG 3.75Å; K277-W392 HydrophobicContact CD-CZ2 4.03Å; K277-W392 VanDerWaalsContact CE-NE1 3.31Å; K277-W392 HydrophobicContact CG-CD2 4.09Å; K277-W392 HydrophobicContact CG-CE3 4.41Å; K277-W392 HydrophobicContact CG-CH2 4.12Å; K277-W392 HydrophobicContact CG-CZ2 3.79Å; K277-W392 HydrophobicContact CG-CZ3 4.43Å; W389-W392 PolarHBondContact O-N 2.79Å; A390-W392 PolarHBondContact O-N 2.78Å; W392-L399 HydrophobicContact CE3-CD2 3.83Å; W392-L399 HydrophobicContact CH2-CD2 4.34Å; W392-L399 HydrophobicContact CZ3-CD2 3.52Å
393	H	97.7	Very high	97.6	Very high	40 Å²	40	30.5 Å²	30.5	19%	0.185	14%	0.143	C	C	.	.	S	Bend	trans	-127.2	160.2	-179.2	-75.2	-74.5	0	0	0	111.9	D271 W389 A390 Y397	D271-H393 IonicContact OD2-NE2 3.85Å; W389-H393 PolarHBondContact O-N 3.42Å; A390-H393 WeakPolarHBondContact CA-O 3.49Å; H393-Y397 HydrophobicContact CB-CD1 3.84Å; H393-Y397 HydrophobicContact CB-CG 4.1Å; H393-Y397 AromaticContact CD2-CD1 3.94Å; H393-Y397 AromaticContact CD2-CE1 3.94Å; H393-Y397 AromaticContact CG-CD1 3.66Å; H393-Y397 AromaticContact ND1-CD1 3.94Å; H393-Y397 AromaticContact NE2-CE1 3.96Å
394	S	95.8	Very high	97.9	Very high	78 Å²	78	24.3 Å²	24.3	55%	0.545	12%	0.119	S	C	.	.			trans	-57.6	150.7	171.7	174.6	0	0	0	0	111	W396 Y397	S394-W396 PolarHBondContact O-N 2.92Å; S394-W396 PolarHBondContact OG-N 3.26Å; S394-Y397 WeakPolarHBondContact O-CB 3.03Å; S394-Y397 PolarHBondContact O-N 2.82Å
395	R	96	Very high	98	Very high	49 Å²	49	23.5 Å²	23.5	19%	0.185	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.4	175.4	80.8	179.1	88	159	18.1	114.2	F314 D316 Y373 D384 I388 Y397	F314-R395 VanDerWaalsContact CD1-CZ 3.43Å; F314-R395 VanDerWaalsContact CD1-NH2 3.34Å; F314-R395 HydrophobicContact CE1-CB 3.9Å; F314-R395 VanDerWaalsContact CG-NH2 3.34Å; F314-R395 HydrophobicContact CZ-CB 4.24Å; D316-R395 IonicContact OD1-NH2 3.79Å; D316-R395 IonicContact OD2-CZ 3.78Å; D316-R395 IonicContact OD2-NH1 3.8Å; D316-R395 PolarHBondContact OD2-NH1 3.42Å; D316-R395 IonicContact OD2-NH2 3.99Å; D316-R395 PolarHBondContact OD2-NH2 3.16Å; Y373-R395 PolarHBondContact OH-O 3.16Å; D384-R395 HydrophobicContact CB-CB 4.04Å; D384-R395 HydrophobicContact CB-CG 3.88Å; D384-R395 WeakPolarHBondContact CB-O 3.38Å; D384-R395 VanDerWaalsContact OD1-CD 3.31Å; D384-R395 WeakPolarHBondContact OD1-CD 3.47Å; D384-R395 WeakPolarHBondContact OD2-CB 3.15Å; D384-R395 WeakPolarHBondContact OD2-CD 3.47Å; I388-R395 HydrophobicContact CD1-CB 4.24Å; I388-R395 WeakPolarHBondContact CG2-O 3.25Å; R395-Y397 VanDerWaalsContact C-N 3.33Å
396	W	97.3	Very high	98.1	Very high	80 Å²	80	23 Å²	23	30%	0.303	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	20.9	174	-65.9	108.6	0	0	0	113.6	Y373 E375 A378 D384 S394	Y373-W396 AromaticContact CD2-CE3 3.57Å; Y373-W396 HydrophobicContact CD2-CE3 3.57Å; Y373-W396 AromaticContact CD2-CZ3 3.7Å; Y373-W396 HydrophobicContact CD2-CZ3 3.7Å; Y373-W396 AromaticContact CE2-CE3 3.38Å; Y373-W396 HydrophobicContact CE2-CE3 3.38Å; Y373-W396 AromaticContact CE2-CZ3 3.44Å; Y373-W396 HydrophobicContact CE2-CZ3 3.44Å; Y373-W396 VanDerWaalsContact CE2-CZ3 3.44Å; Y373-W396 HydrophobicContact CG-CE3 4.26Å; Y373-W396 AromaticContact CZ-CE3 3.95Å; Y373-W396 PolarHBondContact N-O 3.03Å; E375-W396 HydrophobicContact CB-CH2 3.75Å; E375-W396 HydrophobicContact CB-CZ2 4.21Å; E375-W396 HydrophobicContact CB-CZ3 4.4Å; A378-W396 HydrophobicContact CB-CZ3 4.38Å; D384-W396 HydrophobicContact CB-CH2 4.44Å; D384-W396 HydrophobicContact CB-CZ3 4.48Å; S394-W396 PolarHBondContact O-N 2.92Å; S394-W396 PolarHBondContact OG-N 3.26Å
397	Y	98.3	Very high	98.1	Very high	19 Å²	19	23.1 Å²	23.1	8%	0.075	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-125.8	110.8	175.5	-172.5	-80	0	0	0	110.2	D271 W272 Q273 G371 K372 H393 S394 R395 L399	D271-Y397 HydrophobicContact CB-CE1 4.09Å; D271-Y397 WeakPolarHBondContact CB-OH 3.38Å; W272-Y397 AromaticContact CD1-CZ 3.79Å; W272-Y397 PolarHBondContact N-OH 2.78Å; Q273-Y397 PolarHBondContact OE1-OH 2.92Å; G371-Y397 CarbonylContact O-C 3.31Å; G371-Y397 WeakPolarHBondContact O-CA 3.01Å; K372-Y397 HydrophobicContact CG-CD2 4.28Å; H393-Y397 HydrophobicContact CB-CD1 3.84Å; H393-Y397 HydrophobicContact CB-CG 4.1Å; H393-Y397 AromaticContact CD2-CD1 3.94Å; H393-Y397 AromaticContact CD2-CE1 3.94Å; H393-Y397 AromaticContact CG-CD1 3.66Å; H393-Y397 AromaticContact ND1-CD1 3.94Å; H393-Y397 AromaticContact NE2-CE1 3.96Å; S394-Y397 WeakPolarHBondContact O-CB 3.03Å; S394-Y397 PolarHBondContact O-N 2.82Å; R395-Y397 VanDerWaalsContact C-N 3.33Å; Y397-L399 HydrophobicContact CD1-CD2 4.49Å; Y397-L399 HydrophobicContact CE1-CD2 4.26Å
398	S	98.4	Very high	98	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.			trans	-86.4	128.2	175.1	-167.4	0	0	0	0	110.3	W272 K366 G371 I387	W272-S398 PolarHBondContact NE1-O 3.19Å; K366-S398 PolarHBondContact O-OG 2.7Å; G371-S398 WeakPolarHBondContact CA-O 3.44Å; G371-S398 PolarHBondContact O-N 2.74Å; I387-S398 WeakPolarHBondContact CB-OG 3.41Å; I387-S398 PolarHBondContact N-OG 2.03Å; I387-S398 CarbonylContact O-C 3.49Å; I387-S398 WeakPolarHBondContact O-CA 3.46Å
399	L	98.6	Very high	97.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.125	C	C	.	.			trans	-68	154.6	180	-66.6	168.2	0	0	0	112	L269 I387 W389 W392 Y397 T402	L269-L399 HydrophobicContact CB-CD1 4.03Å; L269-L399 HydrophobicContact CD1-CD1 4.05Å; L269-L399 HydrophobicContact CD2-CD1 3.75Å; L269-L399 HydrophobicContact CG-CD1 4.15Å; I387-L399 HydrophobicContact CB-CB 4.41Å; I387-L399 HydrophobicContact CG2-CB 3.99Å; I387-L399 WeakPolarHBondContact O-CG 3.27Å; I387-L399 PolarHBondContact O-N 2.95Å; W389-L399 HydrophobicContact CB-CD1 4.01Å; W392-L399 HydrophobicContact CE3-CD2 3.83Å; W392-L399 HydrophobicContact CH2-CD2 4.34Å; W392-L399 HydrophobicContact CZ3-CD2 3.52Å; Y397-L399 HydrophobicContact CD1-CD2 4.49Å; Y397-L399 HydrophobicContact CE1-CD2 4.26Å; L399-T402 HydrophobicContact CB-CG2 4.14Å; L399-T402 HydrophobicContact CD1-CG2 4.1Å
400	K	98.5	Very high	97.4	Very high	71 Å²	71	30.5 Å²	30.5	31%	0.309	15%	0.154	S	C	.	.	S	Bend	trans	-82.6	-46.9	179.9	-174.6	-172.2	172.4	-168.8	0	111.7	T270 W272 Y367	T270-K400 WeakPolarHBondContact O-CB 3.39Å; T270-K400 PolarHBondContact O-N 2.84Å; W272-K400 HydrophobicContact CD2-CB 3.82Å; W272-K400 HydrophobicContact CD2-CD 4.31Å; W272-K400 HydrophobicContact CD2-CG 4Å; W272-K400 HydrophobicContact CE3-CB 4.31Å; W272-K400 HydrophobicContact CE3-CD 4.02Å; W272-K400 HydrophobicContact CE3-CG 3.97Å; W272-K400 HydrophobicContact CG-CB 4.09Å; W272-K400 HydrophobicContact CH2-CG 4.04Å; W272-K400 HydrophobicContact CZ2-CB 4.1Å; W272-K400 HydrophobicContact CZ2-CG 4.09Å; W272-K400 HydrophobicContact CZ3-CD 4.28Å; W272-K400 HydrophobicContact CZ3-CG 4Å; Y367-K400 VanDerWaalsContact CE2-O 3.25Å; Y367-K400 WeakPolarHBondContact CE2-O 3.43Å; Y367-K400 PolarHBondContact OH-O 3.16Å; Y367-K400 VanDerWaalsContact OH-O 3.13Å
401	E	98.5	Very high	97.1	Very high	36 Å²	36	34.3 Å²	34.3	17%	0.168	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.1	178.3	-46.7	-175.9	-175.7	0	0	110.6	R216 R217 L269 T270	R216-E401 CarbonylContact O-C 3.56Å; R216-E401 WeakPolarHBondContact O-CA 3.32Å; R217-E401 HydrophobicContact CB-CG 4.26Å; R217-E401 IonicContact CZ-OE2 3.04Å; R217-E401 IonicContact NE-OE2 2.67Å; R217-E401 PolarHBondContact NE-OE2 3.16Å; R217-E401 VanDerWaalsContact NE-OE2 3.08Å; R217-E401 IonicContact NH2-OE2 3.08Å; R217-E401 PolarHBondContact NH2-OE2 3.43Å; L269-E401 CarbonylContact C-O 3.59Å; L269-E401 WeakPolarHBondContact CA-O 3.5Å; T270-E401 PolarHBondContact N-O 3.34Å; T270-E401 PolarHBondContact O-N 2.92Å; T270-E401 VanDerWaalsContact O-N 3.11Å
402	T	98.4	Very high	96.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.8	172.8	68.5	0	0	0	0	110.2	Q214 R215 R216 E268 L269 L363 I387 L399	Q214-T402 PolarHBondContact NE2-OG1 3.27Å; Q214-T402 PolarHBondContact OE1-O 3.03Å; Q214-T402 PolarHBondContact OE1-OG1 3.06Å; R215-T402 WeakPolarHBondContact CA-O 3.31Å; R216-T402 VanDerWaalsContact CB-OG1 3.31Å; R216-T402 WeakPolarHBondContact CB-OG1 3.07Å; R216-T402 WeakPolarHBondContact CG-OG1 3.42Å; R216-T402 PolarHBondContact N-O 3.19Å; R216-T402 PolarHBondContact O-N 3.11Å; E268-T402 CarbonylContact O-C 3.51Å; E268-T402 WeakPolarHBondContact O-CA 3.32Å; L269-T402 HydrophobicContact CD2-CG2 3.81Å; L363-T402 HydrophobicContact CD2-CG2 4Å; I387-T402 HydrophobicContact CG2-CG2 3.41Å; I387-T402 VanDerWaalsContact CG2-CG2 3.41Å; L399-T402 HydrophobicContact CB-CG2 4.14Å; L399-T402 HydrophobicContact CD1-CG2 4.1Å
403	T	98.8	Very high	94.8	Very high	6 Å²	6	35.9 Å²	35.9	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	124.8	174.7	-56.7	0	0	0	0	108.6	V212 Q214 R215 I267 E268 K405	V212-T403 HydrophobicContact CG1-CG2 3.85Å; V212-T403 HydrophobicContact CG2-CG2 4.37Å; Q214-T403 WeakPolarHBondContact O-CA 3.33Å; R215-T403 VanDerWaalsContact CD-OG1 3.25Å; R215-T403 WeakPolarHBondContact CD-OG1 3.4Å; R215-T403 VanDerWaalsContact CZ-OG1 3.31Å; R215-T403 PolarHBondContact NE-OG1 3.09Å; R215-T403 PolarHBondContact NH1-OG1 3.04Å; I267-T403 WeakPolarHBondContact CA-O 3.3Å; E268-T403 PolarHBondContact N-O 2.84Å; E268-T403 PolarHBondContact O-N 3.49Å; T403-K405 HydrophobicContact CG2-CB 4.4Å; T403-K405 HydrophobicContact CG2-CD 4.15Å; T403-K405 HydrophobicContact CG2-CG 4.43Å
404	M	98.9	Very high	92.3	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.1	165.7	-60	178.2	65	0	0	108.2	L213 Q214 W246 L265 I267 W353 W354 L363	L213-M404 HydrophobicContact CB-CB 4.28Å; L213-M404 PolarHBondContact N-O 2.54Å; Q214-M404 HydrophobicContact CB-CB 3.9Å; Q214-M404 HydrophobicContact CB-CG 3.97Å; Q214-M404 HydrophobicContact CB-SD 3.94Å; Q214-M404 HydrophobicContact CG-SD 4.41Å; Q214-M404 PolarHBondContact N-O 2.92Å; Q214-M404 PolarHBondContact O-N 2.99Å; W246-M404 HydrophobicContact CZ3-SD 4.09Å; L265-M404 HydrophobicContact CD1-CB 4.13Å; L265-M404 HydrophobicContact CD1-CE 4.1Å; L265-M404 HydrophobicContact CD2-CE 4.13Å; I267-M404 HydrophobicContact CG1-CG 4.32Å; W353-M404 HydrophobicContact CH2-CE 4.43Å; W353-M404 HydrophobicContact CH2-SD 3.91Å; W353-M404 HydrophobicContact CZ3-SD 4.09Å; W354-M404 HydrophobicContact CH2-CE 4.15Å; W354-M404 HydrophobicContact CZ3-CE 3.94Å; L363-M404 HydrophobicContact CD1-CG 3.68Å; L363-M404 HydrophobicContact CD1-SD 3.98Å
405	K	98.8	Very high	89.8	Confident	1 Å²	1	36.7 Å²	36.7	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	149.4	178.8	63.5	-171.6	-177.4	-164.3	0	112	E202 F210 T211 V212 R266 E268 T403	E202-K405 IonicContact OE1-NZ 2.85Å; E202-K405 PolarHBondContact OE1-NZ 2.88Å; E202-K405 IonicContact OE2-NZ 3.2Å; E202-K405 PolarHBondContact OE2-NZ 2.88Å; F210-K405 HydrophobicContact CB-CB 4.2Å; F210-K405 HydrophobicContact CB-CD 3.87Å; F210-K405 HydrophobicContact CB-CG 4.17Å; F210-K405 HydrophobicContact CD1-CB 4.35Å; F210-K405 HydrophobicContact CD1-CD 3.94Å; F210-K405 HydrophobicContact CD1-CG 3.72Å; F210-K405 HydrophobicContact CE1-CG 4.46Å; F210-K405 HydrophobicContact CG-CD 3.95Å; F210-K405 HydrophobicContact CG-CG 4.2Å; T211-K405 CarbonylContact O-C 3.56Å; T211-K405 VanDerWaalsContact O-CA 3.27Å; T211-K405 WeakPolarHBondContact O-CA 3.47Å; V212-K405 HydrophobicContact CB-CB 4.47Å; V212-K405 HydrophobicContact CG2-CB 4.05Å; R266-K405 HydrophobicContact CB-CG 4.22Å; R266-K405 PolarHBondContact N-O 2.79Å; R266-K405 PolarHBondContact O-N 3.24Å; E268-K405 VanDerWaalsContact CD-CE 3.41Å; E268-K405 WeakPolarHBondContact OE1-CE 3.45Å; E268-K405 IonicContact OE1-NZ 3.71Å; E268-K405 PolarHBondContact OE1-NZ 3.44Å; E268-K405 IonicContact OE2-NZ 2.74Å; E268-K405 PolarHBondContact OE2-NZ 2.71Å; T403-K405 HydrophobicContact CG2-CB 4.4Å; T403-K405 HydrophobicContact CG2-CD 4.15Å; T403-K405 HydrophobicContact CG2-CG 4.43Å
406	I	98.4	Very high	87.1	Confident	1 Å²	1	40 Å²	40	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	151.7	-177.7	57.8	170.1	0	0	0	112	F210 T211 L213 L255 Y263 V264 L265 F284	F210-I406 WeakPolarHBondContact CA-O 3.09Å; T211-I406 PolarHBondContact N-O 3.12Å; T211-I406 PolarHBondContact O-N 2.8Å; L213-I406 HydrophobicContact CD1-CB 4.44Å; L213-I406 HydrophobicContact CD1-CD1 4.26Å; L213-I406 HydrophobicContact CD1-CG1 4.18Å; L213-I406 HydrophobicContact CD1-CG2 3.55Å; L213-I406 HydrophobicContact CD2-CD1 3.96Å; L213-I406 HydrophobicContact CD2-CG1 3.93Å; L213-I406 HydrophobicContact CG-CD1 4.5Å; L213-I406 HydrophobicContact CG-CG1 4.15Å; L213-I406 HydrophobicContact CG-CG2 4.25Å; L255-I406 HydrophobicContact CB-CD1 3.9Å; L255-I406 HydrophobicContact CD1-CD1 4.48Å; Y263-I406 HydrophobicContact CD1-CB 4.14Å; Y263-I406 HydrophobicContact CD1-CD1 4Å; Y263-I406 HydrophobicContact CD1-CG1 4.26Å; Y263-I406 HydrophobicContact CE1-CD1 4.39Å; Y263-I406 HydrophobicContact CG-CD1 4.49Å; V264-I406 VanDerWaalsContact O-CA 3.27Å; V264-I406 WeakPolarHBondContact O-CA 3.26Å; L265-I406 HydrophobicContact CB-CG2 4.24Å; L265-I406 HydrophobicContact CD1-CG2 3.99Å; F284-I406 HydrophobicContact CD1-CG2 3.66Å; F284-I406 HydrophobicContact CE1-CG2 3.84Å
407	I	97.4	Very high	84.2	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	148.4	173.9	-168.1	171.9	0	0	0	109.8	R208 F210 Y263 V264 T409 R411 I412	R208-I407 HydrophobicContact CB-CD1 3.72Å; R208-I407 HydrophobicContact CG-CD1 4.24Å; F210-I407 HydrophobicContact CD1-CB 3.68Å; F210-I407 HydrophobicContact CD1-CD1 4.4Å; F210-I407 HydrophobicContact CD1-CG2 3.89Å; F210-I407 HydrophobicContact CD2-CD1 4.16Å; F210-I407 HydrophobicContact CE1-CB 3.72Å; F210-I407 HydrophobicContact CE1-CD1 4.19Å; F210-I407 HydrophobicContact CE1-CG2 3.4Å; F210-I407 VanDerWaalsContact CE1-CG2 3.4Å; F210-I407 HydrophobicContact CE2-CD1 3.92Å; F210-I407 HydrophobicContact CG-CB 4.28Å; F210-I407 HydrophobicContact CG-CD1 4.39Å; F210-I407 HydrophobicContact CZ-CB 4.33Å; F210-I407 HydrophobicContact CZ-CD1 3.94Å; F210-I407 HydrophobicContact CZ-CG2 3.97Å; Y263-I407 CarbonylContact C-O 3.5Å; Y263-I407 WeakPolarHBondContact CA-O 3.12Å; Y263-I407 VanDerWaalsContact CD1-C 3.44Å; V264-I407 PolarHBondContact N-O 3.04Å; V264-I407 PolarHBondContact O-N 3.02Å; V264-I407 VanDerWaalsContact O-N 3.12Å; I407-T409 PolarHBondContact O-N 3.2Å; I407-R411 HydrophobicContact CD1-CB 3.72Å; I407-R411 HydrophobicContact CD1-CG 4.46Å; I407-R411 HydrophobicContact CG1-CB 3.96Å; I407-R411 HydrophobicContact CG1-CG 4.41Å; I407-I412 HydrophobicContact CG2-CD1 3.38Å; I407-I412 HydrophobicContact CG2-CG1 3.64Å
408	P	96.4	Very high	81.3	Confident	10 Å²	10	46.8 Å²	46.8	7%	0.065	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	134.9	173.2	-28.1	37.2	0	0	0	112.2	Q173 I261 Y263 N410 R411	Q173-P408 HydrophobicContact CB-CG 3.93Å; Q173-P408 HydrophobicContact CG-CG 4.13Å; I261-P408 HydrophobicContact CG2-CB 4.01Å; Y263-P408 HydrophobicContact CD1-CG 4.26Å; Y263-P408 HydrophobicContact CE1-CG 3.68Å; P408-N410 VanDerWaalsContact CB-OD1 3.27Å; P408-N410 WeakPolarHBondContact CB-OD1 3.03Å; P408-N410 PolarHBondContact O-N 2.76Å; P408-N410 VanDerWaalsContact O-N 3.13Å; P408-R411 HydrophobicContact CB-CG 4.42Å; P408-R411 WeakPolarHBondContact O-CB 3.28Å; P408-R411 PolarHBondContact O-N 3.28Å
409	T	93.5	Very high	78.1	Confident	34 Å²	34	55.3 Å²	55.3	21%	0.209	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-58.3	-31.4	-173	-57.9	0	0	0	0	113.3	P262 V264 I407 R411 I412	P262-T409 VanDerWaalsContact C-OG1 3.27Å; P262-T409 WeakPolarHBondContact O-CB 3.47Å; P262-T409 PolarHBondContact O-N 2.82Å; P262-T409 PolarHBondContact O-OG1 3.49Å; V264-T409 HydrophobicContact CG2-CG2 4.01Å; I407-T409 PolarHBondContact O-N 3.2Å; T409-R411 PolarHBondContact O-N 3.33Å; T409-I412 PolarHBondContact O-N 3.16Å; T409-I412 VanDerWaalsContact O-N 3.16Å
410	N	91.2	Very high	75	Confident	114 Å²	114	61.4 Å²	61.4	61%	0.61	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-67.5	-3.8	177.5	67.2	-29.3	0	0	0	114.4	P408	P408-N410 VanDerWaalsContact CB-OD1 3.27Å; P408-N410 WeakPolarHBondContact CB-OD1 3.03Å; P408-N410 PolarHBondContact O-N 2.76Å; P408-N410 VanDerWaalsContact O-N 3.13Å
411	R	91.6	Very high	71.9	Confident	87 Å²	87	62 Å²	62	33%	0.328	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-103.2	-8.3	176.6	-56.7	-65	-70.7	175.7	-2.2	113.5	Q173 G207 I407 P408 T409	Q173-R411 VanDerWaalsContact CD-NE 3.31Å; Q173-R411 HydrophobicContact CG-CG 3.87Å; G207-R411 PolarHBondContact O-NH2 2.9Å; I407-R411 HydrophobicContact CD1-CB 3.72Å; I407-R411 HydrophobicContact CD1-CG 4.46Å; I407-R411 HydrophobicContact CG1-CB 3.96Å; I407-R411 HydrophobicContact CG1-CG 4.41Å; P408-R411 HydrophobicContact CB-CG 4.42Å; P408-R411 WeakPolarHBondContact O-CB 3.28Å; P408-R411 PolarHBondContact O-N 3.28Å; T409-R411 PolarHBondContact O-N 3.33Å
412	I	84.9	Confident	68.5	Low	18 Å²	18	63.6 Å²	63.6	9%	0.092	41%	0.405	C	S	.	.			trans	-107	116.5	171.8	-66.2	-173.5	0	0	0	107.9	F210 V264 F301 I407 T409	F210-I412 HydrophobicContact CE1-CD1 4.45Å; V264-I412 HydrophobicContact CB-CD1 3.86Å; V264-I412 HydrophobicContact CG1-CD1 3.75Å; V264-I412 HydrophobicContact CG2-CD1 4.26Å; F301-I412 HydrophobicContact CD1-CG2 4.35Å; F301-I412 HydrophobicContact CE1-CG2 3.52Å; F301-I412 HydrophobicContact CZ-CG2 4.11Å; I407-I412 HydrophobicContact CG2-CD1 3.38Å; I407-I412 HydrophobicContact CG2-CG1 3.64Å; T409-I412 PolarHBondContact O-N 3.16Å; T409-I412 VanDerWaalsContact O-N 3.16Å
413	T	63.8	Low	65.5	Low	107 Å²	107	70.5 Å²	70.5	66%	0.656	45%	0.447	S	S	*	.			trans	-84.4	134.9	165	38.4	0	0	0	0	109.1	G415	T413-G415 PolarHBondContact O-N 3.37Å; T413-G415 VanDerWaalsContact O-N 3.08Å
414	A	44.9	Very low	62.2	Low	84 Å²	84	79.6 Å²	79.6	69%	0.694	49%	0.486	S	S	*	.	S	Bend	trans	-57.4	115.2	172.2	0	0	0	0	0	109.6	F301	F301-A414 HydrophobicContact CE2-CB 4.46Å; F301-A414 HydrophobicContact CZ-CB 3.83Å
415	G	42.7	Very low	59	Low	52 Å²	52	88.3 Å²	88.3	54%	0.536	53%	0.527	S	S	.	.			trans	104.9	83.6	174.6	0	0	0	0	0	114.6	T413 G417	T413-G415 PolarHBondContact O-N 3.37Å; T413-G415 VanDerWaalsContact O-N 3.08Å; G415-G417 PolarHBondContact O-N 3.16Å
416	D	39.3	Very low	55.8	Low	118 Å²	118	98.2 Å²	98.2	63%	0.631	57%	0.57	S	S	*	*			trans	-71.1	58.3	149.1	-85	-31.3	0	0	0	109.2
417	G	37	Very low	52.6	Low	53 Å²	53	101.6 Å²	101.6	55%	0.546	61%	0.605	S	S	.	*	S	Bend	trans	-123.7	90.2	169.7	0	0	0	0	0	107.8	G415 Q419	G415-G417 PolarHBondContact O-N 3.16Å; G417-Q419 PolarHBondContact O-N 2.79Å
418	Q	37.1	Very low	49.5	Very low	188 Å²	188	105.3 Å²	105.3	88%	0.879	64%	0.644	S	S	*	*			trans	32.1	79.7	154.6	-156.5	166.9	10.9	0	0	115.7	T420	Q418-T420 PolarHBondContact O-N 2.69Å
419	Q	31.8	Very low	46.6	Very low	179 Å²	179	113.4 Å²	113.4	84%	0.836	69%	0.686	S	S	*	*			trans	-78.4	98.7	165.6	-77.5	-170.4	1.8	0	0	110.1	G417	G417-Q419 PolarHBondContact O-N 2.79Å
420	T	32.7	Very low	43.8	Very low	129 Å²	129	115.2 Å²	115.2	79%	0.791	71%	0.712	S	S	*	*			trans	-65.9	124.7	146.1	38.1	0	0	0	0	108	Q418 G422	Q418-T420 PolarHBondContact O-N 2.69Å; T420-G422 PolarHBondContact O-N 2.5Å
421	G	34.5	Very low	41.5	Very low	85 Å²	85	117.5 Å²	117.5	88%	0.876	72%	0.724	S	S	*	*			trans	-59.2	131.8	-177.6	0	0	0	0	0	112.6
422	G	27.3	Very low	38.9	Very low	69 Å²	69	124.9 Å²	124.9	71%	0.711	77%	0.77	S	S	*	*			trans	-158.7	89.4	172.5	0	0	0	0	0	110	T420 K424	T420-G422 PolarHBondContact O-N 2.5Å; G422-K424 PolarHBondContact O-N 3.21Å; G422-K424 VanDerWaalsContact O-N 3.13Å
423	V	34.3	Very low	36.6	Very low	145 Å²	145	130.3 Å²	130.3	88%	0.879	80%	0.804	S	S	*	*			trans	-59.2	110.9	171.7	176.1	0	0	0	0	108.5
424	K	30.9	Very low	35.2	Very low	196 Å²	196	131.5 Å²	131.5	85%	0.852	81%	0.811	S	S	*	*			trans	-92.2	103.2	163.2	-95.1	-174.9	176.8	179	0	109.1	G422 F426	G422-K424 PolarHBondContact O-N 3.21Å; G422-K424 VanDerWaalsContact O-N 3.13Å; K424-F426 PolarHBondContact O-N 3.18Å
425	Q	31.5	Very low	34.6	Very low	184 Å²	184	134.1 Å²	134.1	86%	0.86	82%	0.818	S	S	*	*			trans	-63.6	119.3	170.2	-157.3	165.8	5.6	0	0	108.9	G427	Q425-G427 PolarHBondContact O-N 3.08Å
426	F	31.4	Very low	34.2	Very low	208 Å²	208	138.9 Å²	138.9	91%	0.912	84%	0.835	S	S	*	*			trans	-74.4	113.7	169.9	-92.4	-93.7	0	0	0	108.6	K424	K424-F426 PolarHBondContact O-N 3.18Å
427	G	30.8	Very low	33.9	Very low	72 Å²	72	140.3 Å²	140.3	74%	0.742	85%	0.847	S	S	*	*			trans	-69.1	133.4	174.8	0	0	0	0	0	111.4	Q425	Q425-G427 PolarHBondContact O-N 3.08Å
428	G	31.1	Very low	33.6	Very low	79 Å²	79	146.1 Å²	146.1	81%	0.814	87%	0.867	S	S	*	*			trans	-67	142.3	172.6	0	0	0	0	0	111.9	G430	G428-G430 PolarHBondContact O-N 3.49Å
429	L	37	Very low	33.4	Very low	180 Å²	180	143.1 Å²	143.1	94%	0.942	87%	0.866	S	S	*	*			trans	-73.2	115.9	165.6	-78.1	150.5	0	0	0	107.9
430	G	33.8	Very low	33.5	Very low	73 Å²	73	140.3 Å²	140.3	75%	0.753	87%	0.869	S	S	*	*			trans	-90.7	141.9	169.1	0	0	0	0	0	110.6	G428	G428-G430 PolarHBondContact O-N 3.49Å
431	D	42.6	Very low	33.6	Very low	162 Å²	162	141.3 Å²	141.3	87%	0.866	88%	0.875	S	S	*	*			trans	-59.5	134	171.3	-62.2	-51.7	0	0	0	112.1
432	N	37.8	Very low	33.5	Very low	242 Å²	242	146.4 Å²	146.4	100%	1.294	88%	0.875	S	S	*	*			trans	-167.6	0	138.5	-100	-18.8	0	0	0	110.4

Retrieved 432 of 432 residues in 1612.3 ms (Link to these results)

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