A0A087XVH2_POEFO Loading...

Glutamate-rich WD repeat-containing protein 1

AlphaFold DB , UniProt , Accession A0A087XVH2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 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	32.1	Very low	31.8	Very low	241 Å²	241	154.9 Å²	154.9	100%	1.187	85%	0.845	S	S	*	*				0	120.8	0	-73.5	179.5	-162.5	0	0	107
2	S	31.8	Very low	31.4	Very low	121 Å²	121	147.5 Å²	147.5	85%	0.846	83%	0.831	S	S	*	*			trans	71.5	100.9	158.8	-46.1	0	0	0	0	119.2
3	A	29	Very low	31.4	Very low	89 Å²	89	151.2 Å²	151.2	74%	0.736	84%	0.837	S	S	*	*			trans	-65.9	166.1	139.6	0	0	0	0	0	110
4	P	45	Very low	31.4	Very low	113 Å²	113	153.4 Å²	153.4	73%	0.734	84%	0.838	S	S	*	*				-146.3	141.1	96.5	28.9	-7.4	0	0	0	113.6
5	D	29.8	Very low	31.3	Very low	165 Å²	165	156.2 Å²	156.2	88%	0.882	84%	0.843	S	S	*	*				83.8	134.6	91.3	-76.1	-28.7	0	0	0	117.2
6	E	32.1	Very low	31.3	Very low	162 Å²	162	150.9 Å²	150.9	76%	0.757	84%	0.837	S	S	*	*			trans	-75.3	176.2	177.6	-68.4	-174.9	131.6	0	0	114.7
7	H	29.7	Very low	31.1	Very low	163 Å²	163	151.9 Å²	151.9	76%	0.755	83%	0.834	S	S	*	*			trans	101.1	116.9	151.8	-68.4	-57.5	0	0	0	118.6
8	A	31.8	Very low	31	Very low	107 Å²	107	152.5 Å²	152.5	88%	0.884	83%	0.832	S	S	*	*			trans	-150.3	116.5	134.8	0	0	0	0	0	110.8
9	L	27.5	Very low	30.9	Very low	160 Å²	160	148.9 Å²	148.9	84%	0.838	83%	0.825	S	S	*	*			trans	-85.8	146.7	167.7	-76.7	152	0	0	0	110.2
10	N	30.8	Very low	30.8	Very low	144 Å²	144	151.8 Å²	151.8	77%	0.77	83%	0.832	S	S	*	*			trans	-155.3	111.6	153.6	-132	6.9	0	0	0	107.9
11	R	30.2	Very low	30.7	Very low	239 Å²	239	153.5 Å²	153.5	90%	0.902	84%	0.836	S	S	*	*				48.1	128.4	99.1	-70.9	-174.5	173.7	-164.6	-1.1	113
12	G	27.4	Very low	30.7	Very low	66 Å²	66	151.7 Å²	151.7	68%	0.68	83%	0.825	S	S	*	*			cis	165.7	-176.2	10.8	0	0	0	0	0	107.9
13	E	31.5	Very low	30.6	Very low	196 Å²	196	149.5 Å²	149.5	92%	0.916	82%	0.822	S	S	*	*			trans	86.9	105.1	172.7	-53.9	175.9	179.2	0	0	114.7
14	E	30.6	Very low	30.7	Very low	181 Å²	181	152.7 Å²	152.7	85%	0.846	83%	0.826	S	S	*	*				80.6	138.2	69.5	-86.5	-167.4	179	0	0	115.7
15	E	30.6	Very low	30.1	Very low	196 Å²	196	156.9 Å²	156.9	92%	0.916	84%	0.836	S	S	*	*			trans	76.8	136.8	173.6	-50.4	-174.8	169.7	0	0	116.1
16	G	30.3	Very low	30.2	Very low	72 Å²	72	157.6 Å²	157.6	74%	0.742	83%	0.834	S	S	*	*			cis	155.7	113.4	9.3	0	0	0	0	0	108.1
17	E	29.2	Very low	30.2	Very low	168 Å²	168	157.6 Å²	157.6	79%	0.785	84%	0.839	S	S	*	*			trans	33.9	128.8	155.5	-67.1	-176	160.7	0	0	124.7
18	M	28.6	Very low	30.3	Very low	162 Å²	162	157.9 Å²	157.9	80%	0.798	84%	0.841	S	S	*	*			trans	60.8	141.8	132.8	-65.5	-167.4	-107.7	0	0	120
19	A	29.4	Very low	30.2	Very low	85 Å²	85	156.1 Å²	156.1	70%	0.702	83%	0.833	S	S	*	*			cis	-173.2	155	-7.9	0	0	0	0	0	105.5
20	E	28.9	Very low	30.3	Very low	205 Å²	205	153.7 Å²	153.7	96%	0.958	83%	0.825	S	S	*	*			trans	-169.1	131.8	141	-106.5	168.5	-156.5	0	0	110.9
21	M	29.1	Very low	30.2	Very low	189 Å²	189	155.3 Å²	155.3	93%	0.931	83%	0.828	S	S	*	*			trans	-85.5	132	179.8	-81.6	172.2	138.2	0	0	111.2
22	E	30.8	Very low	30.2	Very low	203 Å²	203	151.9 Å²	151.9	95%	0.949	82%	0.824	S	S	*	*			trans	-153.9	133.2	147.4	-64.4	-170.5	157.5	0	0	104.2
23	G	30.8	Very low	30.4	Very low	75 Å²	75	157.2 Å²	157.2	77%	0.773	83%	0.831	S	S	*	*			cis	149.2	115.5	16.3	0	0	0	0	0	104.4
24	D	29.9	Very low	30.5	Very low	156 Å²	156	156.8 Å²	156.8	83%	0.834	83%	0.829	S	S	*	*			trans	-60.8	135.6	-175.6	-74.8	-42.5	0	0	0	113.1
25	E	32.8	Very low	30.8	Very low	201 Å²	201	157.4 Å²	157.4	94%	0.939	83%	0.832	S	S	*	*			trans	-139.5	116.4	142.4	-73.4	-166.1	169.8	0	0	108.9
26	E	32.9	Very low	31.1	Very low	180 Å²	180	151.1 Å²	151.1	84%	0.841	82%	0.819	S	S	*	*			trans	-72.7	132.1	178.3	-61.9	169.1	153.8	0	0	110.4
27	D	30.8	Very low	31.8	Very low	161 Å²	161	155.2 Å²	155.2	86%	0.861	82%	0.824	S	S	*	*			trans	-123.7	109.3	161.8	-163	12.6	0	0	0	108.2	G29	D27-G29 PolarHBondContact O-N 3.21Å
28	E	32.7	Very low	33.1	Very low	169 Å²	169	151.7 Å²	151.7	79%	0.79	82%	0.824	S	S	*	*			trans	-70.6	90	-179	-69.4	-173.2	158	0	0	110.6	V30	E28-V30 PolarHBondContact O-N 2.93Å
29	G	29.1	Very low	34.8	Very low	70 Å²	70	146.6 Å²	146.6	72%	0.722	81%	0.813	S	S	*	*			trans	-81.5	87.8	157.9	0	0	0	0	0	109.8	D27 E31	D27-G29 PolarHBondContact O-N 3.21Å; G29-E31 VanDerWaalsContact C-N 3.29Å; G29-E31 PolarHBondContact O-N 3.06Å
30	V	30.8	Very low	36.9	Very low	109 Å²	109	150.7 Å²	150.7	66%	0.661	82%	0.815	S	S	*	*			trans	-68.6	92.5	165.4	-178.2	0	0	0	0	107.4	E28 M32	E28-V30 PolarHBondContact O-N 2.93Å; V30-M32 VanDerWaalsContact C-N 3.31Å; V30-M32 HydrophobicContact CG1-CG 4.25Å; V30-M32 PolarHBondContact O-N 2.97Å
31	E	28.9	Very low	39.5	Very low	179 Å²	179	147.8 Å²	147.8	84%	0.836	80%	0.799	S	S	*	*			trans	-66.1	99.8	156.9	-71.5	-172.6	168.3	0	0	106.1	G29 E33	G29-E31 VanDerWaalsContact C-N 3.29Å; G29-E31 PolarHBondContact O-N 3.06Å; E31-E33 VanDerWaalsContact C-N 3.28Å; E31-E33 PolarHBondContact O-N 2.9Å
32	M	29.5	Very low	42.1	Very low	166 Å²	166	142.9 Å²	142.9	82%	0.818	78%	0.78	S	S	*	*			trans	-61.4	100.5	161.1	-70.7	-177.1	-179.2	0	0	105.9	V30 E34	V30-M32 VanDerWaalsContact C-N 3.31Å; V30-M32 HydrophobicContact CG1-CG 4.25Å; V30-M32 PolarHBondContact O-N 2.97Å; M32-E34 VanDerWaalsContact C-N 3.31Å; M32-E34 PolarHBondContact O-N 2.93Å
33	E	31.7	Very low	44.7	Very low	178 Å²	178	136.6 Å²	136.6	83%	0.832	75%	0.748	S	S	*	*			trans	-58.3	104.6	158.4	-67.8	-174.5	170.5	0	0	105.5	E31 E35	E31-E33 VanDerWaalsContact C-N 3.28Å; E31-E33 PolarHBondContact O-N 2.9Å; E33-E35 PolarHBondContact O-N 3.28Å
34	E	34	Very low	47.3	Very low	187 Å²	187	133.8 Å²	133.8	87%	0.874	72%	0.716	S	S	*	*			trans	-54.3	108	163	-73.6	-177.2	158	0	0	105.7	M32 G36	M32-E34 VanDerWaalsContact C-N 3.31Å; M32-E34 PolarHBondContact O-N 2.93Å; E34-G36 PolarHBondContact O-N 3.45Å
35	E	35.9	Very low	49.8	Very low	195 Å²	195	127.2 Å²	127.2	91%	0.911	68%	0.681	S	S	*	*			trans	-56.8	93.4	161.9	-79.8	-174.1	162.5	0	0	106	E33 D37	E33-E35 PolarHBondContact O-N 3.28Å; E35-D37 PolarHBondContact O-N 3.5Å; E35-D37 VanDerWaalsContact O-N 3.17Å
36	G	36.3	Very low	52	Low	63 Å²	63	121.6 Å²	121.6	65%	0.649	68%	0.677	S	S	*	*			trans	-57.4	122	172.3	0	0	0	0	0	107.3	E34 A38	E34-G36 PolarHBondContact O-N 3.45Å; G36-A38 VanDerWaalsContact C-N 3.35Å; G36-A38 PolarHBondContact O-N 3.06Å
37	D	46	Very low	54.3	Low	158 Å²	158	117.2 Å²	117.2	85%	0.845	66%	0.659	S	S	*	*			trans	-43.1	99.5	167.6	-178.9	26	0	0	0	108.9	E35 G39	E35-D37 PolarHBondContact O-N 3.5Å; E35-D37 VanDerWaalsContact O-N 3.17Å; D37-G39 PolarHBondContact O-N 3.15Å
38	A	56.2	Low	56.6	Low	94 Å²	94	114.4 Å²	114.4	78%	0.777	64%	0.64	S	S	*	*			trans	-72.2	85.5	177.9	0	0	0	0	0	106.2	G36 K40	G36-A38 VanDerWaalsContact C-N 3.35Å; G36-A38 PolarHBondContact O-N 3.06Å; A38-K40 PolarHBondContact O-N 3.31Å
39	G	64.7	Low	59	Low	55 Å²	55	110.8 Å²	110.8	57%	0.567	63%	0.632	S	S	*	*			trans	-49.2	135.5	-172.4	0	0	0	0	0	112.3	D37 K41	D37-G39 PolarHBondContact O-N 3.15Å; G39-K41 PolarHBondContact O-N 3.49Å
40	K	74	Confident	61.6	Low	171 Å²	171	110.8 Å²	110.8	74%	0.743	62%	0.615	S	S	*	*			trans	-49	124.3	179.2	-60.7	-168.7	-178	-156.1	0	110.4	A38 E57	A38-K40 PolarHBondContact O-N 3.31Å; K40-E57 WeakPolarHBondContact CE-OE2 3.44Å; K40-E57 VanDerWaalsContact NZ-CD 3.27Å; K40-E57 IonicContact NZ-OE1 2.94Å; K40-E57 PolarHBondContact NZ-OE1 3.05Å; K40-E57 IonicContact NZ-OE2 2.82Å; K40-E57 PolarHBondContact NZ-OE2 3.34Å
41	K	82.6	Confident	64.2	Low	145 Å²	145	110.7 Å²	110.7	63%	0.63	61%	0.607	S	S	*	*			trans	-112.3	139.1	177.8	-172.7	-177.9	179.2	-174	0	110.2	G39 Y43 E48	G39-K41 PolarHBondContact O-N 3.49Å; K41-Y43 PolarHBondContact O-N 3.21Å; K41-E48 VanDerWaalsContact NZ-CD 3.31Å; K41-E48 IonicContact NZ-OE1 2.66Å; K41-E48 PolarHBondContact NZ-OE1 2.75Å; K41-E48 IonicContact NZ-OE2 3.59Å; K41-E48 PolarHBondContact NZ-OE2 3.3Å
42	V	83.7	Confident	67	Low	86 Å²	86	108.4 Å²	108.4	52%	0.521	61%	0.608	S	S	.	*			trans	-69.3	123.1	173.1	177	0	0	0	0	109.9	V44 V400	V42-V44 HydrophobicContact CG1-CG2 4.45Å; V42-V400 HydrophobicContact CB-CG1 4.46Å; V42-V400 HydrophobicContact CG2-CG1 3.99Å
43	Y	84.7	Confident	69.7	Low	70 Å²	70	104.4 Å²	104.4	28%	0.275	61%	0.609	S	S	.	*			trans	-89.6	131.5	174.9	179.3	-103.4	0	0	0	111.1	K41 P45 E48 L50 L56	K41-Y43 PolarHBondContact O-N 3.21Å; Y43-P45 HydrophobicContact CD1-CG 4.32Å; Y43-P45 HydrophobicContact CE1-CB 4.37Å; Y43-P45 HydrophobicContact CE1-CG 3.9Å; Y43-E48 WeakPolarHBondContact CE2-O 3.5Å; Y43-L50 HydrophobicContact CD2-CG 4.33Å; Y43-L50 HydrophobicContact CE2-CD1 4.24Å; Y43-L50 HydrophobicContact CE2-CG 3.87Å; Y43-L56 HydrophobicContact CD1-CD1 4.17Å; Y43-L56 HydrophobicContact CD1-CD2 3.64Å; Y43-L56 HydrophobicContact CD2-CD2 4.12Å; Y43-L56 HydrophobicContact CE1-CD1 4.24Å; Y43-L56 HydrophobicContact CE1-CD2 4.3Å; Y43-L56 HydrophobicContact CG-CD2 3.54Å
44	V	84.9	Confident	72.3	Confident	17 Å²	17	101.1 Å²	101.1	10%	0.103	59%	0.594	C	S	.	*			trans	-120.6	115	173.6	-173.6	0	0	0	0	109.4	V42 G46 I47 V403 L406 L413	V42-V44 HydrophobicContact CG1-CG2 4.45Å; V44-G46 PolarHBondContact O-N 3.33Å; V44-I47 HydrophobicContact CB-CB 4.4Å; V44-I47 HydrophobicContact CB-CD1 3.88Å; V44-I47 HydrophobicContact CB-CG1 4.16Å; V44-I47 HydrophobicContact CG1-CD1 3.49Å; V44-I47 VanDerWaalsContact CG1-CD1 3.49Å; V44-I47 HydrophobicContact CG1-CG1 3.84Å; V44-I47 PolarHBondContact O-N 3.37Å; V44-V403 HydrophobicContact CG2-CG1 3.97Å; V44-V403 HydrophobicContact CG2-CG2 4.02Å; V44-L406 HydrophobicContact CG1-CD1 4.16Å; V44-L406 HydrophobicContact CG1-CD2 4.11Å; V44-L406 HydrophobicContact CG2-CD1 4.5Å; V44-L413 HydrophobicContact CG1-CD1 4.23Å
45	P	83.8	Confident	74.9	Confident	17 Å²	17	101 Å²	101	11%	0.11	59%	0.593	C	S	.	*	T	Hydrogen-bonded Turn	trans	-53.2	134.1	178.7	-28.5	36.2	0	0	0	112.4	Y43 I47 V383 L413 Q415	Y43-P45 HydrophobicContact CD1-CG 4.32Å; Y43-P45 HydrophobicContact CE1-CB 4.37Å; Y43-P45 HydrophobicContact CE1-CG 3.9Å; P45-I47 VanDerWaalsContact C-N 3.27Å; P45-I47 PolarHBondContact O-N 3.26Å; P45-V383 HydrophobicContact CB-CG2 3.84Å; P45-V383 HydrophobicContact CG-CG2 3.95Å; P45-L413 HydrophobicContact CG-CD1 4.5Å; P45-Q415 HydrophobicContact CG-CG 4.18Å; P45-Q415 VanDerWaalsContact CG-NE2 3.27Å; P45-Q415 VanDerWaalsContact CG-OE1 3.23Å
46	G	79	Confident	77.3	Confident	83 Å²	83	96.2 Å²	96.2	86%	0.856	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.9	-5	176.1	0	0	0	0	0	115.9	V44	V44-G46 PolarHBondContact O-N 3.33Å
47	I	80.9	Confident	79.8	Confident	89 Å²	89	99.3 Å²	99.3	46%	0.456	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.5	-57.8	175.4	-56.1	-171.4	0	0	0	110.7	V44 P45 L406	V44-I47 HydrophobicContact CB-CB 4.4Å; V44-I47 HydrophobicContact CB-CD1 3.88Å; V44-I47 HydrophobicContact CB-CG1 4.16Å; V44-I47 HydrophobicContact CG1-CD1 3.49Å; V44-I47 VanDerWaalsContact CG1-CD1 3.49Å; V44-I47 HydrophobicContact CG1-CG1 3.84Å; V44-I47 PolarHBondContact O-N 3.37Å; P45-I47 VanDerWaalsContact C-N 3.27Å; P45-I47 PolarHBondContact O-N 3.26Å; I47-L406 HydrophobicContact CD1-CD2 4.18Å
48	E	80.1	Confident	81.8	Confident	101 Å²	101	95.1 Å²	95.1	47%	0.472	55%	0.547	S	S	.	.	S	Bend	trans	-122	128.5	178.1	-67.3	-177.5	-176.8	0	0	109.3	K41 Y43	K41-E48 VanDerWaalsContact NZ-CD 3.31Å; K41-E48 IonicContact NZ-OE1 2.66Å; K41-E48 PolarHBondContact NZ-OE1 2.75Å; K41-E48 IonicContact NZ-OE2 3.59Å; K41-E48 PolarHBondContact NZ-OE2 3.3Å; Y43-E48 WeakPolarHBondContact CE2-O 3.5Å
49	P	81.4	Confident	83.4	Confident	94 Å²	94	95.2 Å²	95.2	61%	0.61	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-73.8	143.8	173.5	30.5	-32.7	0	0	0	110.4	Q51	P49-Q51 PolarHBondContact O-N 3.41Å; P49-Q51 PolarHBondContact O-NE2 2.94Å
50	L	84.4	Confident	84.5	Confident	70 Å²	70	98.3 Å²	98.3	37%	0.366	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-55.1	127.6	168.6	-84.3	146.8	0	0	0	110	Y43 E54 L56	Y43-L50 HydrophobicContact CD2-CG 4.33Å; Y43-L50 HydrophobicContact CE2-CD1 4.24Å; Y43-L50 HydrophobicContact CE2-CG 3.87Å; L50-E54 HydrophobicContact CD2-CB 3.65Å; L50-L56 HydrophobicContact CD1-CD1 3.99Å; L50-L56 HydrophobicContact CD1-CD2 4.17Å; L50-L56 HydrophobicContact CD1-CG 3.89Å; L50-L56 HydrophobicContact CD2-CD2 3.9Å; L50-L56 HydrophobicContact CD2-CG 4.11Å; L50-L56 HydrophobicContact CG-CD2 4.37Å
51	Q	86.3	Confident	85.3	Confident	107 Å²	107	93.2 Å²	93.2	50%	0.5	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-79.5	158.1	174.3	-59.5	-58.5	-45.6	0	0	110.9	P49 G53 E54	P49-Q51 PolarHBondContact O-N 3.41Å; P49-Q51 PolarHBondContact O-NE2 2.94Å; Q51-G53 PolarHBondContact O-N 3.4Å; Q51-G53 VanDerWaalsContact O-N 3.17Å; Q51-E54 HydrophobicContact CB-CG 4.04Å; Q51-E54 PolarHBondContact N-OE2 2.82Å; Q51-E54 WeakPolarHBondContact O-CB 3.4Å; Q51-E54 PolarHBondContact O-N 2.7Å
52	P	86.4	Confident	85.7	Confident	131 Å²	131	87 Å²	87	85%	0.851	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	122.2	174.3	-23	33.8	0	0	0	111.3
53	G	86	Confident	86.3	Confident	82 Å²	82	84 Å²	84	85%	0.845	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	-6.1	-179.1	0	0	0	0	0	114.9	Q51	Q51-G53 PolarHBondContact O-N 3.4Å; Q51-G53 VanDerWaalsContact O-N 3.17Å
54	E	88	Confident	86.7	Confident	109 Å²	109	86 Å²	86	51%	0.509	48%	0.477	S	S	.	.			trans	-80.6	137	168.6	-66.6	178.7	166.6	0	0	110.4	L50 Q51	L50-E54 HydrophobicContact CD2-CB 3.65Å; Q51-E54 HydrophobicContact CB-CG 4.04Å; Q51-E54 PolarHBondContact N-OE2 2.82Å; Q51-E54 WeakPolarHBondContact O-CB 3.4Å; Q51-E54 PolarHBondContact O-N 2.7Å
55	E	86.7	Confident	87.3	Confident	185 Å²	185	85.1 Å²	85.1	86%	0.864	47%	0.472	S	S	*	.			trans	-120.5	145.6	175.1	-65.5	-171.5	168.9	0	0	110
56	L	88	Confident	87.9	Confident	94 Å²	94	85.7 Å²	85.7	49%	0.492	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-85.9	117.2	173.9	-65.5	-178.9	0	0	0	109.6	Y43 L50	Y43-L56 HydrophobicContact CD1-CD1 4.17Å; Y43-L56 HydrophobicContact CD1-CD2 3.64Å; Y43-L56 HydrophobicContact CD2-CD2 4.12Å; Y43-L56 HydrophobicContact CE1-CD1 4.24Å; Y43-L56 HydrophobicContact CE1-CD2 4.3Å; Y43-L56 HydrophobicContact CG-CD2 3.54Å; L50-L56 HydrophobicContact CD1-CD1 3.99Å; L50-L56 HydrophobicContact CD1-CD2 4.17Å; L50-L56 HydrophobicContact CD1-CG 3.89Å; L50-L56 HydrophobicContact CD2-CD2 3.9Å; L50-L56 HydrophobicContact CD2-CG 4.11Å; L50-L56 HydrophobicContact CG-CD2 4.37Å
57	E	87.7	Confident	88.7	Confident	128 Å²	128	83.3 Å²	83.3	60%	0.598	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-93.4	129.6	169.4	-167.3	-174.4	171.3	0	0	109.4	K40 D59	K40-E57 WeakPolarHBondContact CE-OE2 3.44Å; K40-E57 VanDerWaalsContact NZ-CD 3.27Å; K40-E57 IonicContact NZ-OE1 2.94Å; K40-E57 PolarHBondContact NZ-OE1 3.05Å; K40-E57 IonicContact NZ-OE2 2.82Å; K40-E57 PolarHBondContact NZ-OE2 3.34Å; E57-D59 PolarHBondContact O-N 2.82Å
58	M	88.1	Confident	89.5	Confident	70 Å²	70	85.2 Å²	85.2	35%	0.345	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-74.1	120.5	176	178.1	-169	174.5	0	0	110.1	R60 Y63 Y66	M58-R60 PolarHBondContact O-N 2.76Å; M58-R60 VanDerWaalsContact O-N 3.11Å; M58-Y63 HydrophobicContact CE-CD2 3.36Å; M58-Y63 HydrophobicContact CE-CE2 3.39Å; M58-Y63 HydrophobicContact CE-CG 4.07Å; M58-Y63 HydrophobicContact CG-CE2 4.36Å; M58-Y66 HydrophobicContact CE-CD1 3.66Å; M58-Y66 HydrophobicContact CE-CD2 3.85Å; M58-Y66 HydrophobicContact CE-CE1 3.99Å; M58-Y66 HydrophobicContact CE-CE2 4.2Å; M58-Y66 HydrophobicContact CE-CG 3.56Å; M58-Y66 HydrophobicContact SD-CD1 4.27Å; M58-Y66 HydrophobicContact SD-CE1 4.14Å
59	D	89.3	Confident	90.3	Very high	95 Å²	95	81.6 Å²	81.6	51%	0.508	43%	0.431	S	S	.	.			trans	-75	99.1	167.7	-177.1	-3.8	0	0	0	110.4	E57 S61 A62 Y63	E57-D59 PolarHBondContact O-N 2.82Å; D59-S61 PolarHBondContact O-N 2.97Å; D59-S61 WeakPolarHBondContact OD1-CA 3.49Å; D59-S61 VanDerWaalsContact OD1-CB 3.24Å; D59-S61 WeakPolarHBondContact OD1-CB 3.24Å; D59-S61 PolarHBondContact OD1-N 3.17Å; D59-S61 PolarHBondContact OD1-OG 2.95Å; D59-S61 PolarHBondContact OD2-OG 2.95Å; D59-A62 HydrophobicContact CB-CB 4.38Å; D59-A62 VanDerWaalsContact O-CB 3.3Å; D59-A62 WeakPolarHBondContact O-CB 3.37Å; D59-A62 PolarHBondContact O-N 3.48Å; D59-Y63 WeakPolarHBondContact O-CD2 3.32Å
60	R	88.9	Confident	90.9	Very high	121 Å²	121	83.8 Å²	83.8	46%	0.457	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-62.9	-27.8	177.5	-70.5	-178.9	177	-88.4	-4.1	112.7	M58 A62 Y63 T123	M58-R60 PolarHBondContact O-N 2.76Å; M58-R60 VanDerWaalsContact O-N 3.11Å; R60-A62 PolarHBondContact O-N 3.34Å; R60-Y63 PolarHBondContact O-N 2.89Å; R60-Y63 VanDerWaalsContact O-N 3.13Å; R60-T123 HydrophobicContact CB-CG2 3.99Å; R60-T123 HydrophobicContact CG-CG2 4.38Å
61	S	90.3	Very high	91.3	Very high	63 Å²	63	81 Å²	81	44%	0.441	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-68.7	-19.4	-178.8	82.6	0	0	0	0	113	D59 Y63 I447	D59-S61 PolarHBondContact O-N 2.97Å; D59-S61 WeakPolarHBondContact OD1-CA 3.49Å; D59-S61 VanDerWaalsContact OD1-CB 3.24Å; D59-S61 WeakPolarHBondContact OD1-CB 3.24Å; D59-S61 PolarHBondContact OD1-N 3.17Å; D59-S61 PolarHBondContact OD1-OG 2.95Å; D59-S61 PolarHBondContact OD2-OG 2.95Å; S61-Y63 PolarHBondContact O-N 2.95Å; S61-I447 WeakPolarHBondContact O-CG2 3.45Å
62	A	91.9	Very high	91.6	Very high	15 Å²	15	79.5 Å²	79.5	12%	0.124	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-71.7	-12.8	175.6	0	0	0	0	0	113	D59 R60 F412 I447	D59-A62 HydrophobicContact CB-CB 4.38Å; D59-A62 VanDerWaalsContact O-CB 3.3Å; D59-A62 WeakPolarHBondContact O-CB 3.37Å; D59-A62 PolarHBondContact O-N 3.48Å; R60-A62 PolarHBondContact O-N 3.34Å; A62-F412 HydrophobicContact CB-CE2 3.87Å; A62-F412 HydrophobicContact CB-CZ 4.09Å; A62-I447 PolarHBondContact O-N 3.21Å; A62-I447 VanDerWaalsContact O-N 3.14Å
63	Y	94.6	Very high	92.1	Very high	22 Å²	22	74.5 Å²	74.5	9%	0.086	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.9	-178.4	-59.8	-90.6	0	0	0	111.3	M58 D59 R60 S61 Y66 F412 H414 F444 R445	M58-Y63 HydrophobicContact CE-CD2 3.36Å; M58-Y63 HydrophobicContact CE-CE2 3.39Å; M58-Y63 HydrophobicContact CE-CG 4.07Å; M58-Y63 HydrophobicContact CG-CE2 4.36Å; D59-Y63 WeakPolarHBondContact O-CD2 3.32Å; R60-Y63 PolarHBondContact O-N 2.89Å; R60-Y63 VanDerWaalsContact O-N 3.13Å; S61-Y63 PolarHBondContact O-N 2.95Å; Y63-Y66 HydrophobicContact CD1-CD2 4.08Å; Y63-Y66 HydrophobicContact CE1-CD2 4.08Å; Y63-Y66 HydrophobicContact CG-CD2 4.49Å; Y63-F412 HydrophobicContact CD1-CZ 4.37Å; Y63-F412 AromaticContact CE1-CE1 3.84Å; Y63-F412 HydrophobicContact CE1-CE1 3.84Å; Y63-F412 AromaticContact CE1-CZ 3.75Å; Y63-F412 HydrophobicContact CE1-CZ 3.75Å; Y63-F412 HydrophobicContact CE2-CZ 4.01Å; Y63-F412 AromaticContact CZ-CE1 3.78Å; Y63-F412 AromaticContact CZ-CZ 3.55Å; Y63-H414 AromaticContact CE1-ND1 3.86Å; Y63-H414 AromaticContact CZ-ND1 3.75Å; Y63-H414 PolarHBondContact OH-ND1 3.39Å; Y63-F444 HydrophobicContact CD1-CB 3.98Å; Y63-F444 HydrophobicContact CD1-CD2 4.43Å; Y63-F444 HydrophobicContact CE1-CB 4.15Å; Y63-F444 HydrophobicContact CE1-CD2 4.12Å; Y63-F444 HydrophobicContact CE1-CG 4.33Å; Y63-R445 CarbonylContact C-O 3.54Å; Y63-R445 WeakPolarHBondContact CA-O 3.01Å
64	R	94.9	Very high	92.6	Very high	112 Å²	112	72.4 Å²	72.4	42%	0.423	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-27.9	165.1	-65.4	-173.1	-179.4	171	10.4	111.8	G122 T123 R445 I447	R64-G122 CarbonylContact O-C 3.46Å; R64-G122 WeakPolarHBondContact O-CA 3.5Å; R64-T123 PolarHBondContact O-N 2.65Å; R64-R445 HydrophobicContact CB-CB 4.37Å; R64-R445 HydrophobicContact CB-CG 4.21Å; R64-R445 PolarHBondContact N-O 3.13Å; R64-I447 HydrophobicContact CG-CG2 4.12Å; R64-I447 PolarHBondContact NH2-O 2.99Å
65	M	95.9	Very high	93.1	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	138.9	177.8	-179.1	-177.8	69.6	0	0	108	H67 F92 V94 L120 T123 V432 V443 F444 R445	M65-H67 VanDerWaalsContact CG-CD2 3.49Å; M65-H67 WeakPolarHBondContact CG-CD2 3.37Å; M65-F92 HydrophobicContact CB-CE1 4.05Å; M65-F92 HydrophobicContact CB-CZ 3.99Å; M65-F92 HydrophobicContact CG-CE1 4.15Å; M65-F92 HydrophobicContact SD-CE1 3.74Å; M65-V94 HydrophobicContact CE-CG2 4.5Å; M65-V94 HydrophobicContact SD-CG2 3.73Å; M65-L120 HydrophobicContact SD-CB 4.18Å; M65-T123 VanDerWaalsContact C-OG1 3.25Å; M65-T123 VanDerWaalsContact CA-OG1 3.31Å; M65-T123 WeakPolarHBondContact CA-OG1 3.28Å; M65-V432 HydrophobicContact CE-CB 4.32Å; M65-V432 HydrophobicContact CE-CG1 3.64Å; M65-V432 HydrophobicContact CE-CG2 3.72Å; M65-V443 HydrophobicContact CE-CG1 3.81Å; M65-F444 CarbonylContact O-C 3.43Å; M65-F444 WeakPolarHBondContact O-CA 3.44Å; M65-R445 HydrophobicContact CB-CB 4.09Å; M65-R445 HydrophobicContact CE-CB 4.47Å; M65-R445 PolarHBondContact N-O 3.48Å; M65-R445 PolarHBondContact O-N 3.35Å
66	Y	96.4	Very high	93.7	Very high	29 Å²	29	60.7 Å²	60.7	11%	0.114	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	122.1	176.1	-176.4	-98.4	0	0	0	109.1	M58 Y63 E68 T123 H414 N442 V443 F444	M58-Y66 HydrophobicContact CE-CD1 3.66Å; M58-Y66 HydrophobicContact CE-CD2 3.85Å; M58-Y66 HydrophobicContact CE-CE1 3.99Å; M58-Y66 HydrophobicContact CE-CE2 4.2Å; M58-Y66 HydrophobicContact CE-CG 3.56Å; M58-Y66 HydrophobicContact SD-CD1 4.27Å; M58-Y66 HydrophobicContact SD-CE1 4.14Å; Y63-Y66 HydrophobicContact CD1-CD2 4.08Å; Y63-Y66 HydrophobicContact CE1-CD2 4.08Å; Y63-Y66 HydrophobicContact CG-CD2 4.49Å; Y66-E68 HydrophobicContact CD1-CG 4.47Å; Y66-E68 HydrophobicContact CE1-CG 3.55Å; Y66-E68 VanDerWaalsContact CE1-OE1 3.31Å; Y66-E68 WeakPolarHBondContact CE1-OE1 3.4Å; Y66-E68 VanDerWaalsContact CZ-OE1 3.26Å; Y66-E68 PolarHBondContact OH-OE1 2.77Å; Y66-T123 PolarHBondContact N-OG1 2.92Å; Y66-H414 AromaticContact CE2-CE1 3.62Å; Y66-N442 HydrophobicContact CE2-CB 4.47Å; Y66-N442 PolarHBondContact OH-ND2 3.04Å; Y66-V443 CarbonylContact C-O 3.53Å; Y66-V443 WeakPolarHBondContact CA-O 3.4Å; Y66-F444 HydrophobicContact CD2-CB 3.84Å
67	H	97.2	Very high	94.2	Very high	33 Å²	33	56.2 Å²	56.2	15%	0.153	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	147.4	176.7	-66.2	-82.4	0	0	0	109.5	M65 L120 H121 N442 V443	M65-H67 VanDerWaalsContact CG-CD2 3.49Å; M65-H67 WeakPolarHBondContact CG-CD2 3.37Å; H67-L120 HydrophobicContact CB-CD2 4.49Å; H67-H121 PolarHBondContact NE2-O 2.99Å; H67-N442 CarbonylContact O-C 3.6Å; H67-N442 WeakPolarHBondContact O-CA 3.36Å; H67-V443 HydrophobicContact CB-CB 4.41Å; H67-V443 PolarHBondContact N-O 2.66Å; H67-V443 PolarHBondContact O-N 2.85Å
68	E	96.6	Very high	94.7	Very high	128 Å²	128	50.1 Å²	50.1	60%	0.598	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.8	176.2	-57.9	-178.1	164.8	0	0	109.7	Y66 F441	Y66-E68 HydrophobicContact CD1-CG 4.47Å; Y66-E68 HydrophobicContact CE1-CG 3.55Å; Y66-E68 VanDerWaalsContact CE1-OE1 3.31Å; Y66-E68 WeakPolarHBondContact CE1-OE1 3.4Å; Y66-E68 VanDerWaalsContact CZ-OE1 3.26Å; Y66-E68 PolarHBondContact OH-OE1 2.77Å; E68-F441 CarbonylContact C-O 3.54Å; E68-F441 WeakPolarHBondContact CA-O 3.14Å
69	C	96.3	Very high	95.2	Very high	25 Å²	25	48 Å²	48	17%	0.169	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	164.2	172	79.7	0	0	0	0	112.6	M117 L149 F441	C69-M117 WeakPolarHBondContact SG-CE 3.29Å; C69-L149 HydrophobicContact CB-CD2 4.05Å; C69-F441 PolarHBondContact N-O 3.07Å; C69-F441 PolarHBondContact O-N 3.36Å
70	Q	94.6	Very high	95.6	Very high	140 Å²	140	44 Å²	44	65%	0.654	24%	0.237	S	C	*	.			trans	-131.2	143.8	178.7	-68	-178.5	-11.7	0	0	111.2	S439	Q70-S439 PolarHBondContact NE2-O 3.04Å
71	T	93.1	Very high	96.1	Very high	12 Å²	12	38.7 Å²	38.7	7%	0.074	22%	0.218	C	C	.	.			trans	-101.3	6.3	179.3	49.2	0	0	0	0	113.2	A73 L113 M115 L151 F441	T71-A73 PolarHBondContact O-N 3.04Å; T71-A73 PolarHBondContact OG1-O 2.74Å; T71-L113 HydrophobicContact CG2-CD1 4.24Å; T71-L113 HydrophobicContact CG2-CD2 4.37Å; T71-M115 HydrophobicContact CG2-CE 3.78Å; T71-L151 HydrophobicContact CG2-CD2 4.37Å; T71-F441 HydrophobicContact CG2-CD2 4.21Å; T71-F441 HydrophobicContact CG2-CE2 3.84Å
72	G	93.3	Very high	96.3	Very high	75 Å²	75	41.9 Å²	41.9	77%	0.773	22%	0.224	S	C	*	.	S	Bend	trans	85.5	-84	-169.5	0	0	0	0	0	111.5
73	A	96.3	Very high	96.4	Very high	27 Å²	27	42.3 Å²	42.3	22%	0.223	22%	0.224	C	C	.	.	S	Bend	trans	-77.2	142.3	171.7	0	0	0	0	0	110.2	T71 T102 A104	T71-A73 PolarHBondContact O-N 3.04Å; T71-A73 PolarHBondContact OG1-O 2.74Å; A73-T102 HydrophobicContact CB-CG2 3.99Å; A73-A104 HydrophobicContact CB-CB 4.15Å
74	P	97.4	Very high	96.3	Very high	37 Å²	37	45.2 Å²	45.2	24%	0.24	26%	0.26	C	S	.	.			trans	-66	152.5	178.4	30.1	-36.4	0	0	0	110.5	T102 Q103 L438	P74-T102 CarbonylContact O-C 3.41Å; P74-T102 VanDerWaalsContact O-CA 3.28Å; P74-T102 WeakPolarHBondContact O-CA 3.38Å; P74-Q103 WeakPolarHBondContact CG-O 3.43Å; P74-Q103 PolarHBondContact O-N 3.05Å; P74-L438 HydrophobicContact CB-CD1 3.94Å; P74-L438 HydrophobicContact CG-CD1 3.81Å
75	C	98.4	Very high	96.1	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.9	175.7	-62.9	0	0	0	0	108.8	S77 A100 G101 T436 F441	C75-S77 VanDerWaalsContact C-N 3.31Å; C75-A100 HydrophobicContact CB-CB 4.15Å; C75-G101 VanDerWaalsContact CA-O 3.29Å; C75-G101 WeakPolarHBondContact CA-O 3.35Å; C75-G101 WeakPolarHBondContact CB-O 3.14Å; C75-T436 WeakPolarHBondContact O-CG2 3.45Å; C75-T436 PolarHBondContact O-OG1 3.05Å; C75-F441 HydrophobicContact CB-CE2 4Å; C75-F441 HydrophobicContact CB-CZ 3.77Å
76	L	97.6	Very high	96	Very high	46 Å²	46	46 Å²	46	24%	0.241	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-27.5	172.3	177.4	66.2	0	0	0	110.8	Q103 N161 F225 K421	L76-Q103 HydrophobicContact CB-CG 3.82Å; L76-Q103 HydrophobicContact CD2-CG 4.42Å; L76-N161 WeakPolarHBondContact CD2-O 3.13Å; L76-F225 HydrophobicContact CD2-CD1 4.3Å; L76-F225 HydrophobicContact CD2-CE1 3.86Å; L76-K421 HydrophobicContact CD1-CB 3.95Å; L76-K421 HydrophobicContact CD1-CD 3.89Å; L76-K421 HydrophobicContact CD1-CG 3.89Å
77	S	98.6	Very high	95.9	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	149	-179.1	-179.8	0	0	0	0	113.2	C75 A100 G101 V163 R164 E422	C75-S77 VanDerWaalsContact C-N 3.31Å; S77-A100 WeakPolarHBondContact O-CA 3.27Å; S77-G101 PolarHBondContact O-N 2.98Å; S77-G101 VanDerWaalsContact O-N 3.07Å; S77-V163 PolarHBondContact OG-N 3.1Å; S77-V163 VanDerWaalsContact OG-N 3.11Å; S77-R164 PolarHBondContact OG-NH1 2.8Å; S77-E422 WeakPolarHBondContact CA-OE2 3.32Å; S77-E422 WeakPolarHBondContact CB-OE2 3.4Å; S77-E422 PolarHBondContact OG-OE2 3.29Å
78	F	98.8	Very high	95.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	169.4	169.3	74.7	-77.1	0	0	0	110.6	V80 L98 C99 A100 E422 H424 I434 T436 F441	F78-V80 HydrophobicContact CE2-CG2 4.38Å; F78-L98 HydrophobicContact CD2-CB 4.44Å; F78-L98 HydrophobicContact CD2-CD1 4.07Å; F78-L98 HydrophobicContact CD2-CD2 4.4Å; F78-L98 HydrophobicContact CE2-CD1 4.29Å; F78-C99 CarbonylContact C-O 3.57Å; F78-C99 WeakPolarHBondContact CA-O 3.31Å; F78-C99 WeakPolarHBondContact CB-O 3.25Å; F78-A100 HydrophobicContact CB-CB 3.7Å; F78-E422 HydrophobicContact CD1-CB 4.46Å; F78-E422 HydrophobicContact CE1-CB 4.33Å; F78-E422 HydrophobicContact CE1-CG 4.48Å; F78-E422 PolarHBondContact N-OE2 3.42Å; F78-E422 VanDerWaalsContact O-OE2 3.1Å; F78-H424 AromaticContact CD2-CD2 3.99Å; F78-H424 AromaticContact CE1-CD2 3.83Å; F78-H424 HydrophobicContact CE2-CB 3.84Å; F78-H424 AromaticContact CE2-CD2 3.63Å; F78-H424 HydrophobicContact CZ-CB 3.86Å; F78-H424 AromaticContact CZ-CD2 3.53Å; F78-H424 PolarHBondContact O-CD2 3.09Å; F78-H424 VanDerWaalsContact O-CD2 3.28Å; F78-H424 PolarHBondContact O-NE2 3.27Å; F78-I434 HydrophobicContact CD2-CG2 4.36Å; F78-I434 HydrophobicContact CE1-CG2 4.31Å; F78-I434 HydrophobicContact CE2-CB 3.64Å; F78-I434 HydrophobicContact CE2-CG2 3.48Å; F78-I434 VanDerWaalsContact CE2-CG2 3.48Å; F78-I434 HydrophobicContact CZ-CB 3.62Å; F78-I434 HydrophobicContact CZ-CG2 3.45Å; F78-I434 VanDerWaalsContact CZ-CG2 3.45Å; F78-I434 WeakPolarHBondContact CZ-O 3.3Å; F78-T436 HydrophobicContact CD1-CG2 3.67Å; F78-T436 HydrophobicContact CE1-CG2 3.95Å; F78-F441 HydrophobicContact CB-CE1 3.93Å; F78-F441 HydrophobicContact CB-CZ 4.24Å; F78-F441 AromaticContact CD1-CE1 3.74Å; F78-F441 HydrophobicContact CD1-CE1 3.74Å; F78-F441 HydrophobicContact CD2-CE1 4.22Å; F78-F441 HydrophobicContact CE1-CE1 4.29Å; F78-F441 AromaticContact CG-CE1 3.7Å; F78-F441 HydrophobicContact CG-CE1 3.7Å; F78-F441 HydrophobicContact CG-CZ 4.46Å
79	D	98.8	Very high	95.6	Very high	25 Å²	25	46 Å²	46	13%	0.134	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	152.4	170.6	-163.2	0.3	0	0	0	109.9	L98 C99 R164 V165	D79-L98 WeakPolarHBondContact O-CA 3.3Å; D79-C99 PolarHBondContact N-O 2.84Å; D79-C99 PolarHBondContact O-N 2.81Å; D79-R164 VanDerWaalsContact OD2-CA 3.3Å; D79-R164 WeakPolarHBondContact OD2-CA 3.47Å; D79-R164 WeakPolarHBondContact OD2-CD 3.45Å; D79-V165 HydrophobicContact CB-CG1 4.32Å; D79-V165 HydrophobicContact CB-CG2 4.01Å; D79-V165 PolarHBondContact OD2-N 3.36Å
80	V	98.4	Very high	95.4	Very high	10 Å²	10	49.9 Å²	49.9	6%	0.061	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.1	-174.6	-172.1	0	0	0	0	110	F78 L98 V165 H424 H426 P427 I434	F78-V80 HydrophobicContact CE2-CG2 4.38Å; V80-L98 HydrophobicContact CB-CD2 4.15Å; V80-L98 HydrophobicContact CG1-CD2 3.98Å; V80-L98 HydrophobicContact CG2-CD2 3.84Å; V80-V165 WeakPolarHBondContact O-CG2 3.48Å; V80-H424 HydrophobicContact CG2-CB 3.89Å; V80-H426 VanDerWaalsContact CG1-CD2 3.43Å; V80-H426 WeakPolarHBondContact CG1-CD2 3.08Å; V80-P427 HydrophobicContact CG1-CG 4.23Å; V80-I434 HydrophobicContact CG2-CD1 4.24Å
81	M	97.9	Very high	95.4	Very high	11 Å²	11	51.6 Å²	51.6	5%	0.054	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	132	174.4	-60.1	178.4	68.5	0	0	109.6	L97 C99 V114 V165 P172 L188 L192	M81-L97 HydrophobicContact CB-CB 3.8Å; M81-L97 WeakPolarHBondContact CB-O 3.49Å; M81-L97 PolarHBondContact N-O 3.38Å; M81-C99 HydrophobicContact CG-CB 4.26Å; M81-C99 HydrophobicContact SD-CB 4.04Å; M81-V114 HydrophobicContact SD-CG1 3.95Å; M81-V114 HydrophobicContact SD-CG2 4.15Å; M81-V165 HydrophobicContact CG-CB 4.33Å; M81-V165 HydrophobicContact CG-CG1 4.06Å; M81-V165 HydrophobicContact CG-CG2 4.01Å; M81-P172 HydrophobicContact CE-CB 4Å; M81-L188 HydrophobicContact CE-CB 4.3Å; M81-L188 HydrophobicContact CE-CD1 3.71Å; M81-L188 HydrophobicContact SD-CD1 3.92Å; M81-L192 HydrophobicContact CE-CD1 4.41Å
82	K	95.5	Very high	95.4	Very high	130 Å²	130	54.9 Å²	54.9	57%	0.565	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-71.5	133.8	171.4	-67.7	-166	172.8	-157.2	0	110.6	P427 Q428	K82-P427 HydrophobicContact CG-CG 4.18Å; K82-Q428 VanDerWaalsContact CA-OE1 3.25Å; K82-Q428 HydrophobicContact CD-CG 4.45Å; K82-Q428 HydrophobicContact CG-CG 4.22Å
83	D	93.3	Very high	95.5	Very high	24 Å²	24	54.6 Å²	54.6	13%	0.128	32%	0.316	C	S	.	.			trans	-99.1	174.9	172.5	62.7	35.4	0	0	0	112.2	D85 R89 L97 Q428	D83-D85 VanDerWaalsContact C-N 3.3Å; D83-D85 WeakPolarHBondContact OD1-CB 3.41Å; D83-D85 PolarHBondContact OD1-N 3.34Å; D83-R89 IonicContact OD1-CZ 3.23Å; D83-R89 IonicContact OD1-NE 3.94Å; D83-R89 IonicContact OD1-NH2 3.79Å; D83-R89 PolarHBondContact OD1-NH2 2.84Å; D83-R89 IonicContact OD2-CZ 3.94Å; D83-R89 IonicContact OD2-NH1 2.69Å; D83-R89 IonicContact OD2-NH2 3.43Å; D83-R89 PolarHBondContact OD2-NH2 3.33Å; D83-L97 HydrophobicContact CB-CD1 3.99Å; D83-Q428 PolarHBondContact O-NE2 2.94Å; D83-Q428 VanDerWaalsContact O-NE2 3.16Å; D83-Q428 PolarHBondContact OD1-OE1 3.29Å
84	G	92.6	Very high	95.6	Very high	82 Å²	82	53.7 Å²	53.7	85%	0.845	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	4.7	178.1	0	0	0	0	0	114.6	G86	G84-G86 VanDerWaalsContact C-N 3.25Å; G84-G86 PolarHBondContact O-N 2.93Å
85	D	91.9	Very high	95.6	Very high	99 Å²	99	52.9 Å²	52.9	53%	0.529	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.6	-172.9	-62.1	-22.7	0	0	0	112.3	D83 R89 S95	D83-D85 VanDerWaalsContact C-N 3.3Å; D83-D85 WeakPolarHBondContact OD1-CB 3.41Å; D83-D85 PolarHBondContact OD1-N 3.34Å; D85-R89 WeakPolarHBondContact O-CD 3.48Å; D85-R89 IonicContact OD2-NH1 3.93Å; D85-S95 PolarHBondContact OD2-OG 3.13Å
86	G	92.7	Very high	95.6	Very high	31 Å²	31	52.9 Å²	52.9	32%	0.32	30%	0.303	S	S	.	.			trans	94.5	169.1	175	0	0	0	0	0	114.2	G84 R89	G84-G86 VanDerWaalsContact C-N 3.25Å; G84-G86 PolarHBondContact O-N 2.93Å; G86-R89 WeakPolarHBondContact O-CG 3.36Å; G86-R89 PolarHBondContact O-NE 2.61Å
87	D	94.3	Very high	95.6	Very high	108 Å²	108	51 Å²	51	58%	0.578	29%	0.293	S	S	*	.	S	Bend	trans	-93.5	152.7	-176.3	-64	-4.8	0	0	0	111.3	Q428	D87-Q428 VanDerWaalsContact OD1-CG 3.25Å; D87-Q428 WeakPolarHBondContact OD1-CG 3.37Å; D87-Q428 PolarHBondContact OD1-NE2 3.25Å
88	G	94	Very high	95.6	Very high	41 Å²	41	51 Å²	51	42%	0.423	29%	0.293	S	S	.	.	S	Bend	trans	77.1	21.5	175	0	0	0	0	0	114.3	Q90 Q428	G88-Q90 PolarHBondContact O-N 2.94Å; G88-Q428 PolarHBondContact N-O 3.29Å
89	R	94.3	Very high	95.6	Very high	41 Å²	41	51 Å²	51	16%	0.155	29%	0.293	C	S	.	.			trans	-71.2	131	-179.4	-53	171.8	-84.7	141.3	-4.2	109.8	D83 D85 G86 S95 Q428 L429	D83-R89 IonicContact OD1-CZ 3.23Å; D83-R89 IonicContact OD1-NE 3.94Å; D83-R89 IonicContact OD1-NH2 3.79Å; D83-R89 PolarHBondContact OD1-NH2 2.84Å; D83-R89 IonicContact OD2-CZ 3.94Å; D83-R89 IonicContact OD2-NH1 2.69Å; D83-R89 IonicContact OD2-NH2 3.43Å; D83-R89 PolarHBondContact OD2-NH2 3.33Å; D85-R89 WeakPolarHBondContact O-CD 3.48Å; D85-R89 IonicContact OD2-NH1 3.93Å; G86-R89 WeakPolarHBondContact O-CG 3.36Å; G86-R89 PolarHBondContact O-NE 2.61Å; R89-S95 PolarHBondContact NH1-O 3.11Å; R89-S95 PolarHBondContact NH1-OG 2.9Å; R89-S95 PolarHBondContact NH2-O 3.23Å; R89-Q428 PolarHBondContact N-O 3.36Å; R89-Q428 VanDerWaalsContact N-O 3.11Å; R89-L429 HydrophobicContact CB-CD2 3.63Å; R89-L429 WeakPolarHBondContact O-CD2 3.23Å
90	Q	92.1	Very high	95.6	Very high	106 Å²	106	49.8 Å²	49.8	50%	0.495	29%	0.286	S	S	.	.			trans	-134.9	-7	-178.7	-64.4	-170.1	64.5	0	0	113.2	G88	G88-Q90 PolarHBondContact O-N 2.94Å
91	Q	93.9	Very high	95.6	Very high	175 Å²	175	49.3 Å²	49.3	82%	0.818	28%	0.283	S	S	*	.	S	Bend	trans	-88.2	135	179.5	-67.2	178.8	2.2	0	0	109.3	V94	Q91-V94 VanDerWaalsContact O-CG1 3.32Å; Q91-V94 WeakPolarHBondContact O-CG1 3.27Å
92	F	93.6	Very high	95.6	Very high	82 Å²	82	48.8 Å²	48.8	36%	0.36	28%	0.281	S	S	.	.	S	Bend	trans	-83.5	154.1	175.2	-62.2	-61.7	0	0	0	111.5	M65 V94 L120	M65-F92 HydrophobicContact CB-CE1 4.05Å; M65-F92 HydrophobicContact CB-CZ 3.99Å; M65-F92 HydrophobicContact CG-CE1 4.15Å; M65-F92 HydrophobicContact SD-CE1 3.74Å; F92-V94 HydrophobicContact CD1-CG1 4.09Å; F92-V94 HydrophobicContact CD1-CG2 4.38Å; F92-V94 HydrophobicContact CE1-CG1 4.46Å; F92-V94 HydrophobicContact CE1-CG2 4.47Å; F92-L120 WeakPolarHBondContact CD1-O 3.43Å
93	P	95.9	Very high	95.6	Very high	69 Å²	69	46 Å²	46	45%	0.448	27%	0.27	S	S	.	.	S	Bend	cis	-71.1	150.3	-8.3	26.7	-30.8	0	0	0	112.5	L120	P93-L120 CarbonylContact C-O 3.57Å; P93-L120 VanDerWaalsContact CA-O 3.28Å; P93-L120 WeakPolarHBondContact CA-O 3.38Å
94	V	97.1	Very high	95.8	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.048	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	160.7	172.4	-59.9	0	0	0	0	111.8	M65 Q91 F92 N119 L120 L429	M65-V94 HydrophobicContact CE-CG2 4.5Å; M65-V94 HydrophobicContact SD-CG2 3.73Å; Q91-V94 VanDerWaalsContact O-CG1 3.32Å; Q91-V94 WeakPolarHBondContact O-CG1 3.27Å; F92-V94 HydrophobicContact CD1-CG1 4.09Å; F92-V94 HydrophobicContact CD1-CG2 4.38Å; F92-V94 HydrophobicContact CE1-CG1 4.46Å; F92-V94 HydrophobicContact CE1-CG2 4.47Å; V94-N119 PolarHBondContact O-N 3.18Å; V94-L120 HydrophobicContact CG2-CB 3.8Å; V94-L120 HydrophobicContact CG2-CD1 4.38Å; V94-L120 PolarHBondContact N-O 3.21Å; V94-L120 PolarHBondContact O-N 3.35Å; V94-L120 VanDerWaalsContact O-N 3.13Å; V94-L429 HydrophobicContact CB-CD1 4.25Å; V94-L429 HydrophobicContact CB-CD2 4.2Å; V94-L429 HydrophobicContact CG1-CD2 4.04Å; V94-L429 HydrophobicContact CG2-CD1 4.28Å
95	S	97.4	Very high	95.9	Very high	20 Å²	20	50.2 Å²	50.2	14%	0.14	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.4	177.1	48.8	0	0	0	0	109.6	D85 R89 M117	D85-S95 PolarHBondContact OD2-OG 3.13Å; R89-S95 PolarHBondContact NH1-O 3.11Å; R89-S95 PolarHBondContact NH1-OG 2.9Å; R89-S95 PolarHBondContact NH2-O 3.23Å; S95-M117 CarbonylContact C-O 3.53Å; S95-M117 VanDerWaalsContact CA-O 3.27Å; S95-M117 WeakPolarHBondContact CA-O 3.49Å
96	M	98.1	Very high	96	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	159.5	173.7	62.1	-171.4	65.5	0	0	111.8	R116 M117 L120 H426 L429 V432 I434 V443	M96-R116 WeakPolarHBondContact O-CA 3.17Å; M96-M117 HydrophobicContact CG-CB 3.93Å; M96-M117 HydrophobicContact CG-CG 4.44Å; M96-M117 PolarHBondContact N-O 2.79Å; M96-M117 PolarHBondContact O-N 2.84Å; M96-M117 HydrophobicContact SD-SD 4.39Å; M96-L120 HydrophobicContact CE-CD1 3.75Å; M96-L120 HydrophobicContact SD-CD1 4.37Å; M96-H426 VanDerWaalsContact CB-NE2 3.29Å; M96-H426 WeakPolarHBondContact CB-NE2 3.47Å; M96-L429 HydrophobicContact CB-CD1 4.45Å; M96-L429 HydrophobicContact CE-CD1 3.64Å; M96-V432 HydrophobicContact CE-CG1 4.01Å; M96-I434 HydrophobicContact SD-CD1 4.28Å; M96-I434 HydrophobicContact SD-CG1 4.11Å; M96-V443 HydrophobicContact CE-CG1 3.56Å; M96-V443 HydrophobicContact SD-CG1 3.79Å; M96-V443 HydrophobicContact SD-CG2 4.2Å
97	L	98.5	Very high	96.1	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.6	176.4	-69.4	165.3	0	0	0	109.3	M81 D83 M115 R116 L192 V195	M81-L97 HydrophobicContact CB-CB 3.8Å; M81-L97 WeakPolarHBondContact CB-O 3.49Å; M81-L97 PolarHBondContact N-O 3.38Å; D83-L97 HydrophobicContact CB-CD1 3.99Å; L97-M115 WeakPolarHBondContact CA-O 3.39Å; L97-R116 HydrophobicContact CD2-CB 3.64Å; L97-R116 HydrophobicContact CD2-CG 3.77Å; L97-L192 HydrophobicContact CD1-CD1 3.6Å; L97-L192 HydrophobicContact CD2-CD1 4.04Å; L97-L192 HydrophobicContact CG-CD1 4.44Å; L97-V195 HydrophobicContact CD2-CG2 3.97Å
98	L	98.7	Very high	96.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	149.2	173.8	-41.7	178.2	0	0	0	110	F78 D79 V80 V114 M115 M117 I434 F441	F78-L98 HydrophobicContact CD2-CB 4.44Å; F78-L98 HydrophobicContact CD2-CD1 4.07Å; F78-L98 HydrophobicContact CD2-CD2 4.4Å; F78-L98 HydrophobicContact CE2-CD1 4.29Å; D79-L98 WeakPolarHBondContact O-CA 3.3Å; V80-L98 HydrophobicContact CB-CD2 4.15Å; V80-L98 HydrophobicContact CG1-CD2 3.98Å; V80-L98 HydrophobicContact CG2-CD2 3.84Å; L98-V114 CarbonylContact O-C 3.56Å; L98-V114 WeakPolarHBondContact O-CA 3.48Å; L98-M115 HydrophobicContact CB-CE 4.47Å; L98-M115 HydrophobicContact CB-CG 3.52Å; L98-M115 HydrophobicContact CB-SD 3.83Å; L98-M115 HydrophobicContact CD1-CG 4.29Å; L98-M115 HydrophobicContact CD1-SD 3.66Å; L98-M115 HydrophobicContact CG-CG 4.01Å; L98-M115 HydrophobicContact CG-SD 4.06Å; L98-M115 PolarHBondContact N-O 2.9Å; L98-M115 PolarHBondContact O-N 3.4Å; L98-M117 HydrophobicContact CD1-CE 3.85Å; L98-I434 HydrophobicContact CD1-CG1 4.44Å; L98-I434 HydrophobicContact CD1-CG2 3.86Å; L98-I434 HydrophobicContact CD2-CD1 4.5Å; L98-F441 HydrophobicContact CD1-CD1 4.46Å
99	C	98.7	Very high	96.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.3	164.6	-174.1	0	0	0	0	108.6	F78 D79 M81 L113 V165 L188	F78-C99 CarbonylContact C-O 3.57Å; F78-C99 WeakPolarHBondContact CA-O 3.31Å; F78-C99 WeakPolarHBondContact CB-O 3.25Å; D79-C99 PolarHBondContact N-O 2.84Å; D79-C99 PolarHBondContact O-N 2.81Å; M81-C99 HydrophobicContact CG-CB 4.26Å; M81-C99 HydrophobicContact SD-CB 4.04Å; C99-L113 CarbonylContact C-O 3.51Å; C99-L113 VanDerWaalsContact CA-O 3.31Å; C99-L113 WeakPolarHBondContact CA-O 3.31Å; C99-L113 PolarHBondContact SG-O 3.42Å; C99-V165 HydrophobicContact CB-CG1 3.45Å; C99-V165 VanDerWaalsContact CB-CG1 3.45Å; C99-L188 HydrophobicContact CB-CD1 4.24Å
100	A	98.7	Very high	96.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157.5	-178.7	0	0	0	0	0	111.8	C75 S77 F78 L113 M115 F441	C75-A100 HydrophobicContact CB-CB 4.15Å; S77-A100 WeakPolarHBondContact O-CA 3.27Å; F78-A100 HydrophobicContact CB-CB 3.7Å; A100-L113 HydrophobicContact CB-CD1 3.92Å; A100-L113 HydrophobicContact CB-CG 4.19Å; A100-L113 PolarHBondContact N-O 3.11Å; A100-L113 PolarHBondContact O-N 2.91Å; A100-M115 HydrophobicContact CB-CE 3.76Å; A100-F441 HydrophobicContact CB-CZ 3.98Å
101	G	97.9	Very high	96.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.5	175	0	0	0	0	0	111.5	C75 S77	C75-G101 VanDerWaalsContact CA-O 3.29Å; C75-G101 WeakPolarHBondContact CA-O 3.35Å; C75-G101 WeakPolarHBondContact CB-O 3.14Å; S77-G101 PolarHBondContact O-N 2.98Å; S77-G101 VanDerWaalsContact O-N 3.07Å
102	T	98	Very high	96.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	156.8	-176.9	67.2	0	0	0	0	112.9	A73 P74 N110 R111 L113 I160	A73-T102 HydrophobicContact CB-CG2 3.99Å; P74-T102 CarbonylContact O-C 3.41Å; P74-T102 VanDerWaalsContact O-CA 3.28Å; P74-T102 WeakPolarHBondContact O-CA 3.38Å; T102-N110 PolarHBondContact O-OD1 2.94Å; T102-N110 WeakPolarHBondContact OG1-CA 3.35Å; T102-N110 PolarHBondContact OG1-OD1 3.22Å; T102-R111 HydrophobicContact CG2-CB 4.11Å; T102-R111 PolarHBondContact N-O 3.01Å; T102-R111 PolarHBondContact OG1-N 3.12Å; T102-R111 PolarHBondContact OG1-O 3.25Å; T102-L113 HydrophobicContact CG2-CD2 3.76Å; T102-I160 PolarHBondContact O-N 2.94Å
103	Q	96.3	Very high	96.8	Very high	70 Å²	70	37.3 Å²	37.3	33%	0.327	20%	0.197	S	C	.	.			trans	-119.2	91.3	163.7	-79.9	-99.2	-19.7	0	0	108.9	P74 L76 N110 N161	P74-Q103 WeakPolarHBondContact CG-O 3.43Å; P74-Q103 PolarHBondContact O-N 3.05Å; L76-Q103 HydrophobicContact CB-CG 3.82Å; L76-Q103 HydrophobicContact CD2-CG 4.42Å; Q103-N110 WeakPolarHBondContact CA-OD1 3.29Å; Q103-N161 PolarHBondContact NE2-OD1 2.98Å
104	A	96.3	Very high	96.9	Very high	23 Å²	23	34 Å²	34	19%	0.19	18%	0.175	C	C	.	.			trans	-92.1	159.8	-179.4	0	0	0	0	0	111.7	A73 T106 K109 N110	A73-A104 HydrophobicContact CB-CB 4.15Å; A104-T106 PolarHBondContact O-N 3.33Å; A104-K109 HydrophobicContact CB-CB 3.57Å; A104-N110 WeakPolarHBondContact CB-OD1 3.48Å; A104-N110 PolarHBondContact N-OD1 3.48Å
105	E	94.5	Very high	97	Very high	173 Å²	173	33.7 Å²	33.7	81%	0.808	17%	0.173	S	C	*	.	S	Bend	trans	-54.4	-28.5	178.8	-172.6	-170.7	-166.9	0	0	114	K109	E105-K109 IonicContact OE2-NZ 3.7Å
106	T	95.6	Very high	97	Very high	59 Å²	59	35.6 Å²	35.6	36%	0.362	18%	0.177	S	C	.	.	S	Bend	trans	-131.9	147.5	178.1	74.8	0	0	0	0	111.5	A104 L108 K109 N110	A104-T106 PolarHBondContact O-N 3.33Å; T106-L108 PolarHBondContact O-N 3.26Å; T106-K109 PolarHBondContact O-N 3.44Å; T106-K109 WeakPolarHBondContact OG1-CG 3.33Å; T106-N110 PolarHBondContact O-ND2 2.87Å
107	A	93.7	Very high	97	Very high	38 Å²	38	35.9 Å²	35.9	31%	0.314	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-54.2	-29.8	-176.8	0	0	0	0	0	114.3	N110 Y157 G158	A107-N110 PolarHBondContact O-ND2 2.69Å; A107-Y157 HydrophobicContact CB-CE2 4.17Å; A107-G158 PolarHBondContact O-N 2.82Å
108	L	94.2	Very high	96.9	Very high	126 Å²	126	36.9 Å²	36.9	66%	0.66	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-82.8	-14.8	-179.1	-66	170	0	0	0	114	T106 R111 Y157	T106-L108 PolarHBondContact O-N 3.26Å; L108-R111 PolarHBondContact O-NH1 2.84Å; L108-Y157 HydrophobicContact CD2-CD2 3.85Å; L108-Y157 HydrophobicContact CD2-CE2 4.14Å
109	K	95.9	Very high	96.8	Very high	115 Å²	115	38.4 Å²	38.4	50%	0.5	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-90.3	-3.7	-178.9	-74.4	-179.6	-179.8	178.6	0	112.8	A104 E105 T106 R111	A104-K109 HydrophobicContact CB-CB 3.57Å; E105-K109 IonicContact OE2-NZ 3.7Å; T106-K109 PolarHBondContact O-N 3.44Å; T106-K109 WeakPolarHBondContact OG1-CG 3.33Å; K109-R111 PolarHBondContact O-NH1 2.92Å
110	N	96.9	Very high	96.7	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.011	19%	0.192	C	C	.	.			trans	-72	149	179.2	-69	-64	0	0	0	112.8	T102 Q103 A104 T106 A107 H156 G158 G159	T102-N110 PolarHBondContact O-OD1 2.94Å; T102-N110 WeakPolarHBondContact OG1-CA 3.35Å; T102-N110 PolarHBondContact OG1-OD1 3.22Å; Q103-N110 WeakPolarHBondContact CA-OD1 3.29Å; A104-N110 WeakPolarHBondContact CB-OD1 3.48Å; A104-N110 PolarHBondContact N-OD1 3.48Å; T106-N110 PolarHBondContact O-ND2 2.87Å; A107-N110 PolarHBondContact O-ND2 2.69Å; N110-H156 WeakPolarHBondContact CB-O 3.26Å; N110-H156 PolarHBondContact O-N 3.49Å; N110-H156 VanDerWaalsContact O-O 3.1Å; N110-G158 WeakPolarHBondContact CB-O 3.35Å; N110-G158 VanDerWaalsContact CG-O 3.22Å; N110-G158 PolarHBondContact ND2-O 2.8Å; N110-G159 PolarHBondContact ND2-N 3Å
111	R	96.8	Very high	96.6	Very high	71 Å²	71	40.9 Å²	40.9	27%	0.268	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.5	-176.8	-56.5	-65.4	178.3	-96.8	1.3	110	T102 L108 K109 M153 M154	T102-R111 HydrophobicContact CG2-CB 4.11Å; T102-R111 PolarHBondContact N-O 3.01Å; T102-R111 PolarHBondContact OG1-N 3.12Å; T102-R111 PolarHBondContact OG1-O 3.25Å; L108-R111 PolarHBondContact O-NH1 2.84Å; K109-R111 PolarHBondContact O-NH1 2.92Å; R111-M153 HydrophobicContact CB-CB 4.23Å; R111-M153 HydrophobicContact CB-CE 3.94Å; R111-M153 HydrophobicContact CG-CB 4.26Å; R111-M153 HydrophobicContact CG-CE 3.83Å; R111-M154 CarbonylContact C-O 3.53Å; R111-M154 WeakPolarHBondContact CA-O 3.47Å
112	L	97.3	Very high	96.4	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	127	156.8	179.3	63.4	0	0	0	107	M154 I160 V163 A174 V176 F186 L188	L112-M154 HydrophobicContact CB-CE 4.11Å; L112-M154 HydrophobicContact CD2-CE 3.67Å; L112-M154 HydrophobicContact CG-CE 4.28Å; L112-M154 PolarHBondContact N-O 2.86Å; L112-M154 WeakPolarHBondContact O-CB 3.46Å; L112-M154 PolarHBondContact O-N 3.25Å; L112-I160 HydrophobicContact CB-CD1 3.97Å; L112-I160 HydrophobicContact CD1-CD1 4.24Å; L112-V163 HydrophobicContact CD1-CG2 4.12Å; L112-A174 HydrophobicContact CD2-CB 4.42Å; L112-V176 HydrophobicContact CD1-CG2 3.82Å; L112-V176 HydrophobicContact CD2-CG2 4.01Å; L112-F186 HydrophobicContact CD2-CB 3.79Å; L112-F186 HydrophobicContact CD2-CD1 4.39Å; L112-F186 HydrophobicContact CD2-CD2 3.58Å; L112-F186 HydrophobicContact CD2-CE2 4.25Å; L112-F186 HydrophobicContact CD2-CG 3.65Å; L112-L188 HydrophobicContact CD2-CD2 4.31Å
113	L	96.4	Very high	96	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.6	-174.2	63.4	97.1	0	0	0	112.6	T71 C99 A100 T102 M115 L151 A152 M153	T71-L113 HydrophobicContact CG2-CD1 4.24Å; T71-L113 HydrophobicContact CG2-CD2 4.37Å; C99-L113 CarbonylContact C-O 3.51Å; C99-L113 VanDerWaalsContact CA-O 3.31Å; C99-L113 WeakPolarHBondContact CA-O 3.31Å; C99-L113 PolarHBondContact SG-O 3.42Å; A100-L113 HydrophobicContact CB-CD1 3.92Å; A100-L113 HydrophobicContact CB-CG 4.19Å; A100-L113 PolarHBondContact N-O 3.11Å; A100-L113 PolarHBondContact O-N 2.91Å; T102-L113 HydrophobicContact CG2-CD2 3.76Å; L113-M115 HydrophobicContact CD1-CB 4.3Å; L113-M115 HydrophobicContact CD1-CE 3.29Å; L113-L151 HydrophobicContact CD1-CD2 4.42Å; L113-A152 VanDerWaalsContact CA-O 3.27Å; L113-A152 WeakPolarHBondContact CA-O 3.48Å; L113-M153 HydrophobicContact CB-CB 4.35Å; L113-M153 HydrophobicContact CB-CG 3.93Å; L113-M153 HydrophobicContact CD2-CE 3.76Å
114	V	98.2	Very high	95.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.6	163.2	177.2	0	0	0	0	107.1	M81 L98 A152 L188 Q191 V195	M81-V114 HydrophobicContact SD-CG1 3.95Å; M81-V114 HydrophobicContact SD-CG2 4.15Å; L98-V114 CarbonylContact O-C 3.56Å; L98-V114 WeakPolarHBondContact O-CA 3.48Å; V114-A152 PolarHBondContact N-O 3.5Å; V114-A152 PolarHBondContact O-N 3.14Å; V114-L188 HydrophobicContact CG2-CB 4.37Å; V114-L188 HydrophobicContact CG2-CD1 4.37Å; V114-L188 HydrophobicContact CG2-CD2 4.09Å; V114-Q191 HydrophobicContact CB-CB 3.78Å; V114-Q191 HydrophobicContact CG2-CB 3.54Å; V114-Q191 HydrophobicContact CG2-CG 4.26Å; V114-V195 HydrophobicContact CG1-CG1 4.44Å; V114-V195 HydrophobicContact CG1-CG2 4.2Å; V114-V195 WeakPolarHBondContact O-CG1 3.21Å
115	M	98	Very high	93.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.1	176.6	62.9	-177.3	79.2	0	0	110.1	T71 L97 L98 A100 L113 M117 L149 E150 L151 F441	T71-M115 HydrophobicContact CG2-CE 3.78Å; L97-M115 WeakPolarHBondContact CA-O 3.39Å; L98-M115 HydrophobicContact CB-CE 4.47Å; L98-M115 HydrophobicContact CB-CG 3.52Å; L98-M115 HydrophobicContact CB-SD 3.83Å; L98-M115 HydrophobicContact CD1-CG 4.29Å; L98-M115 HydrophobicContact CD1-SD 3.66Å; L98-M115 HydrophobicContact CG-CG 4.01Å; L98-M115 HydrophobicContact CG-SD 4.06Å; L98-M115 PolarHBondContact N-O 2.9Å; L98-M115 PolarHBondContact O-N 3.4Å; A100-M115 HydrophobicContact CB-CE 3.76Å; L113-M115 HydrophobicContact CD1-CB 4.3Å; L113-M115 HydrophobicContact CD1-CE 3.29Å; M115-M117 HydrophobicContact CG-CE 4.34Å; M115-M117 HydrophobicContact SD-CE 3.3Å; M115-M117 WeakPolarHBondContact SD-CE 3.48Å; M115-L149 HydrophobicContact CB-CD1 4.12Å; M115-E150 CarbonylContact C-O 3.56Å; M115-E150 VanDerWaalsContact CA-O 3.29Å; M115-E150 WeakPolarHBondContact CA-O 3.42Å; M115-L151 HydrophobicContact CB-CD2 3.46Å; M115-L151 VanDerWaalsContact CB-CD2 3.46Å; M115-F441 HydrophobicContact CE-CE1 4.23Å; M115-F441 HydrophobicContact CE-CE2 3.92Å; M115-F441 HydrophobicContact CE-CZ 3.75Å
116	R	98.3	Very high	92.1	Very high	60 Å²	60	51.1 Å²	51.1	23%	0.226	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.3	168.7	-174.9	-175.4	177.5	-145.1	-2.4	108	M96 L97 L149 E150 V195	M96-R116 WeakPolarHBondContact O-CA 3.17Å; L97-R116 HydrophobicContact CD2-CB 3.64Å; L97-R116 HydrophobicContact CD2-CG 3.77Å; R116-L149 WeakPolarHBondContact O-CA 3.48Å; R116-E150 HydrophobicContact CB-CB 4.27Å; R116-E150 PolarHBondContact N-O 3.1Å; R116-E150 PolarHBondContact O-N 2.83Å; R116-V195 HydrophobicContact CB-CB 3.81Å; R116-V195 HydrophobicContact CB-CG2 3.92Å; R116-V195 VanDerWaalsContact CD-O 3.26Å; R116-V195 WeakPolarHBondContact CD-O 3.37Å
117	M	98.1	Very high	89.8	Confident	8 Å²	8	53.3 Å²	53.3	4%	0.039	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.6	170.6	-54.1	-172.9	-168.7	0	0	107.6	C69 S95 M96 L98 M115 L120 Q148 L149 V443	C69-M117 WeakPolarHBondContact SG-CE 3.29Å; S95-M117 CarbonylContact C-O 3.53Å; S95-M117 VanDerWaalsContact CA-O 3.27Å; S95-M117 WeakPolarHBondContact CA-O 3.49Å; M96-M117 HydrophobicContact CG-CB 3.93Å; M96-M117 HydrophobicContact CG-CG 4.44Å; M96-M117 PolarHBondContact N-O 2.79Å; M96-M117 PolarHBondContact O-N 2.84Å; M96-M117 HydrophobicContact SD-SD 4.39Å; L98-M117 HydrophobicContact CD1-CE 3.85Å; M115-M117 HydrophobicContact CG-CE 4.34Å; M115-M117 HydrophobicContact SD-CE 3.3Å; M115-M117 WeakPolarHBondContact SD-CE 3.48Å; M117-L120 HydrophobicContact CB-CD1 3.97Å; M117-L120 HydrophobicContact CB-CD2 4.37Å; M117-L120 HydrophobicContact CB-CG 4.43Å; M117-Q148 WeakPolarHBondContact CA-O 3.46Å; M117-L149 HydrophobicContact CE-CD1 4.44Å; M117-L149 HydrophobicContact CG-CD1 3.78Å; M117-V443 HydrophobicContact CE-CG2 4.21Å; M117-V443 HydrophobicContact SD-CG2 3.62Å
118	H	97.3	Very high	87.7	Confident	29 Å²	29	61.1 Å²	61.1	13%	0.134	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	172.3	179.9	65.1	102.5	0	0	0	111.6	L120 Q148	H118-L120 PolarHBondContact O-N 2.89Å; H118-Q148 PolarHBondContact CE1-OE1 3.28Å; H118-Q148 PolarHBondContact N-O 2.91Å; H118-Q148 PolarHBondContact ND1-OE1 3.21Å; H118-Q148 PolarHBondContact O-N 3.11Å
119	N	96.8	Very high	85.3	Confident	31 Å²	31	63.9 Å²	63.9	17%	0.166	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	59.4	33.3	-169.5	-155.2	35.9	0	0	0	112.2	V94 H121 D144 K146 Q148	V94-N119 PolarHBondContact O-N 3.18Å; N119-H121 PolarHBondContact O-CD2 2.81Å; N119-H121 VanDerWaalsContact O-CD2 3.26Å; N119-H121 PolarHBondContact O-N 3.16Å; N119-H121 PolarHBondContact OD1-NE2 3.4Å; N119-D144 PolarHBondContact ND2-O 3.14Å; N119-K146 PolarHBondContact ND2-O 3.17Å; N119-Q148 HydrophobicContact CB-CG 4.36Å
120	L	96.6	Very high	82.9	Confident	5 Å²	5	65.9 Å²	65.9	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	109.1	179.9	-55.8	-176.2	0	0	0	109.2	M65 H67 F92 P93 V94 M96 M117 H118 P147 V443	M65-L120 HydrophobicContact SD-CB 4.18Å; H67-L120 HydrophobicContact CB-CD2 4.49Å; F92-L120 WeakPolarHBondContact CD1-O 3.43Å; P93-L120 CarbonylContact C-O 3.57Å; P93-L120 VanDerWaalsContact CA-O 3.28Å; P93-L120 WeakPolarHBondContact CA-O 3.38Å; V94-L120 HydrophobicContact CG2-CB 3.8Å; V94-L120 HydrophobicContact CG2-CD1 4.38Å; V94-L120 PolarHBondContact N-O 3.21Å; V94-L120 PolarHBondContact O-N 3.35Å; V94-L120 VanDerWaalsContact O-N 3.13Å; M96-L120 HydrophobicContact CE-CD1 3.75Å; M96-L120 HydrophobicContact SD-CD1 4.37Å; M117-L120 HydrophobicContact CB-CD1 3.97Å; M117-L120 HydrophobicContact CB-CD2 4.37Å; M117-L120 HydrophobicContact CB-CG 4.43Å; H118-L120 PolarHBondContact O-N 2.89Å; L120-P147 HydrophobicContact CD2-CB 3.6Å; L120-V443 HydrophobicContact CD1-CG1 4.32Å
121	H	95.4	Very high	80.3	Confident	48 Å²	48	75.4 Å²	75.4	22%	0.222	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-94	168.2	178	-69.8	-84.9	0	0	0	112.2	H67 N119 K145	H67-H121 PolarHBondContact NE2-O 2.99Å; N119-H121 PolarHBondContact O-CD2 2.81Å; N119-H121 VanDerWaalsContact O-CD2 3.26Å; N119-H121 PolarHBondContact O-N 3.16Å; N119-H121 PolarHBondContact OD1-NE2 3.4Å; H121-K145 PolarHBondContact CD2-O 3.01Å
122	G	93.8	Very high	77.8	Confident	25 Å²	25	76.6 Å²	76.6	26%	0.258	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-67.8	155.7	174.5	0	0	0	0	0	112	R64 E124	R64-G122 CarbonylContact O-C 3.46Å; R64-G122 WeakPolarHBondContact O-CA 3.5Å; G122-E124 PolarHBondContact O-N 3.14Å
123	T	90.4	Very high	75.3	Confident	23 Å²	23	80.9 Å²	80.9	14%	0.141	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-70.3	120.8	174.9	-55.5	0	0	0	0	108.8	R60 R64 M65 Y66	R60-T123 HydrophobicContact CB-CG2 3.99Å; R60-T123 HydrophobicContact CG-CG2 4.38Å; R64-T123 PolarHBondContact O-N 2.65Å; M65-T123 VanDerWaalsContact C-OG1 3.25Å; M65-T123 VanDerWaalsContact CA-OG1 3.31Å; M65-T123 WeakPolarHBondContact CA-OG1 3.28Å; Y66-T123 PolarHBondContact N-OG1 2.92Å
124	E	80.1	Confident	72.8	Confident	131 Å²	131	86.4 Å²	86.4	61%	0.612	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-65.3	140.7	175.7	-65.3	-176.4	169.4	0	0	110.1	G122	G122-E124 PolarHBondContact O-N 3.14Å
125	K	68.4	Low	70.5	Confident	158 Å²	158	94.6 Å²	94.6	69%	0.687	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-85.8	131.9	174.3	-66.2	-175.9	177.7	-173.8	0	107.3	N127	K125-N127 PolarHBondContact O-N 3.11Å
126	E	57.1	Low	68.1	Low	143 Å²	143	103.2 Å²	103.2	67%	0.668	52%	0.515	S	S	*	.			trans	-60.2	101.9	168.6	-70	172.7	-174.7	0	0	107.8
127	N	47.3	Very low	65.7	Low	106 Å²	106	103.6 Å²	103.6	57%	0.567	53%	0.526	S	S	*	.			trans	-85.4	110.2	169	-84.9	-11.4	0	0	0	106.8	K125 E129	K125-N127 PolarHBondContact O-N 3.11Å; N127-E129 PolarHBondContact O-N 3.34Å
128	E	48.5	Very low	63.7	Low	201 Å²	201	106.8 Å²	106.8	94%	0.939	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	5.9	174.6	-65.6	-179.4	165.3	0	0	113.8
129	E	44.7	Very low	61.7	Low	184 Å²	184	112.4 Å²	112.4	86%	0.86	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123	3.3	-171.1	-67.4	-166.7	172.8	0	0	116.1	N127	N127-E129 PolarHBondContact O-N 3.34Å
130	E	44.5	Very low	59.9	Low	158 Å²	158	118.5 Å²	118.5	74%	0.738	60%	0.597	S	S	*	*			trans	-109.5	50.4	178.1	-66.2	-167.4	-161.8	0	0	113.3	S132	E130-S132 PolarHBondContact O-N 3.32Å
131	E	41.4	Very low	58.3	Low	202 Å²	202	123.8 Å²	123.8	94%	0.944	62%	0.622	S	S	*	*			trans	-80.9	70.8	150.9	-76.6	-156.3	-175.1	0	0	109.3
132	S	44.5	Very low	57	Low	95 Å²	95	127.2 Å²	127.2	66%	0.664	64%	0.638	S	S	*	*			trans	-166.7	113.1	166.1	169.3	0	0	0	0	113.2	E130	E130-S132 PolarHBondContact O-N 3.32Å
133	S	46.4	Very low	56.1	Low	92 Å²	92	131.9 Å²	131.9	64%	0.643	65%	0.653	S	S	*	*	S	Bend	trans	86.6	112.6	148.3	73.6	0	0	0	0	119.8
134	D	44.1	Very low	55.7	Low	115 Å²	115	137 Å²	137	62%	0.615	68%	0.68	S	S	*	*			trans	106.7	52.3	152.9	-59.4	-16.8	0	0	0	118.2	E136 S137	D134-E136 PolarHBondContact O-N 3.04Å; D134-S137 PolarHBondContact O-N 3.34Å
135	E	48.2	Very low	56	Low	172 Å²	172	134.9 Å²	134.9	80%	0.804	67%	0.668	S	S	*	*	H	α-helix	trans	-49.9	-21.5	177	-64.6	178.7	-175.5	0	0	116.5
136	E	47.7	Very low	57.1	Low	182 Å²	182	132.4 Å²	132.4	85%	0.85	66%	0.658	S	S	*	*	H	α-helix	trans	-93.2	-12.8	-178.4	-67.6	-102.4	177.4	0	0	113.7	D134	D134-E136 PolarHBondContact O-N 3.04Å
137	S	48.6	Very low	59	Low	67 Å²	67	129.1 Å²	129.1	47%	0.469	65%	0.649	S	S	.	*	H	α-helix	trans	-95.3	-21.3	173.7	97.3	0	0	0	0	113	D134	D134-S137 PolarHBondContact O-N 3.34Å
138	D	55.2	Low	61.3	Low	76 Å²	76	128.4 Å²	128.4	41%	0.406	64%	0.642	S	S	.	*	H	α-helix	trans	-84.3	-29.8	-172.5	-61.5	-15.9	0	0	0	112.3	E140 E141 E142	D138-E140 PolarHBondContact O-N 3.14Å; D138-E141 PolarHBondContact O-N 3.4Å; D138-E142 WeakPolarHBondContact O-CG 3.3Å; D138-E142 PolarHBondContact O-N 2.77Å
139	E	57	Low	63.7	Low	147 Å²	147	121.8 Å²	121.8	69%	0.687	61%	0.612	S	S	*	*	H	α-helix	trans	-63.5	-40.2	179.5	-71.7	-171.4	-179.7	0	0	113.2	E143	E139-E143 WeakPolarHBondContact O-CG 3.28Å; E139-E143 PolarHBondContact O-N 3.19Å; E139-E143 VanDerWaalsContact O-N 3.15Å
140	E	58.5	Low	66.2	Low	158 Å²	158	116.1 Å²	116.1	74%	0.738	59%	0.586	S	S	*	*	H	α-helix	trans	-69.5	-37.1	176.8	-70	-168.6	175.6	0	0	111.4	D138 E143 D144	D138-E140 PolarHBondContact O-N 3.14Å; E140-E143 PolarHBondContact O-N 3.16Å; E140-D144 PolarHBondContact O-N 3.19Å
141	E	62.7	Low	68.7	Low	116 Å²	116	111 Å²	111	54%	0.542	56%	0.563	S	S	.	*	H	α-helix	trans	-70	-32.5	176.3	-72	-161.4	179.4	0	0	112.8	D138 K145	D138-E141 PolarHBondContact O-N 3.4Å; E141-K145 WeakPolarHBondContact O-CG 3.46Å
142	E	68.4	Low	71.3	Confident	121 Å²	121	101.3 Å²	101.3	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-71.2	-37.5	174.3	-77.6	-151.9	173	0	0	112.9	D138 D144 K145 K146	D138-E142 WeakPolarHBondContact O-CG 3.3Å; D138-E142 PolarHBondContact O-N 2.77Å; E142-D144 VanDerWaalsContact C-N 3.3Å; E142-D144 PolarHBondContact O-N 3.41Å; E142-K145 PolarHBondContact O-N 3.38Å; E142-K146 PolarHBondContact O-N 2.79Å
143	E	75.6	Confident	73.8	Confident	122 Å²	122	100 Å²	100	57%	0.57	50%	0.502	S	S	*	.	H	α-helix	trans	-58.7	-42.3	175.1	-74	-120.7	118.6	0	0	112	E139 E140 K145 K146	E139-E143 WeakPolarHBondContact O-CG 3.28Å; E139-E143 PolarHBondContact O-N 3.19Å; E139-E143 VanDerWaalsContact O-N 3.15Å; E140-E143 PolarHBondContact O-N 3.16Å; E143-K145 PolarHBondContact O-N 3.03Å; E143-K146 WeakPolarHBondContact O-CB 3.34Å; E143-K146 PolarHBondContact O-N 2.95Å; E143-K146 IonicContact OE1-NZ 2.7Å; E143-K146 PolarHBondContact OE1-NZ 2.99Å
144	D	80.6	Confident	76	Confident	131 Å²	131	96.5 Å²	96.5	70%	0.701	48%	0.476	S	S	*	.	H	α-helix	trans	-70.2	-18.1	-179.5	-84.5	-15.1	0	0	0	113.5	N119 E140 E142	N119-D144 PolarHBondContact ND2-O 3.14Å; E140-D144 PolarHBondContact O-N 3.19Å; E142-D144 VanDerWaalsContact C-N 3.3Å; E142-D144 PolarHBondContact O-N 3.41Å
145	K	87.4	Confident	78.5	Confident	86 Å²	86	92.8 Å²	92.8	37%	0.374	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-2.5	177.7	-69.4	174.1	-170.4	163.7	0	113.8	H121 E141 E142 E143	H121-K145 PolarHBondContact CD2-O 3.01Å; E141-K145 WeakPolarHBondContact O-CG 3.46Å; E142-K145 PolarHBondContact O-N 3.38Å; E143-K145 PolarHBondContact O-N 3.03Å
146	K	91.9	Very high	80.7	Confident	107 Å²	107	85 Å²	85	47%	0.465	42%	0.422	S	S	.	.			trans	-61.4	132.1	-179.5	-71.7	174.9	-176.8	170.5	0	111	N119 E142 E143	N119-K146 PolarHBondContact ND2-O 3.17Å; E142-K146 PolarHBondContact O-N 2.79Å; E143-K146 WeakPolarHBondContact O-CB 3.34Å; E143-K146 PolarHBondContact O-N 2.95Å; E143-K146 IonicContact OE1-NZ 2.7Å; E143-K146 PolarHBondContact OE1-NZ 2.99Å
147	P	95.9	Very high	83	Confident	74 Å²	74	83.7 Å²	83.7	48%	0.481	41%	0.41	S	S	.	.			trans	-63.3	142.6	175.9	27.7	-34.9	0	0	0	110.4	L120	L120-P147 HydrophobicContact CD2-CB 3.6Å
148	Q	96.5	Very high	85.2	Confident	91 Å²	91	80.5 Å²	80.5	43%	0.425	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.6	-175.6	-64.1	-177.6	-4	0	0	110.5	M117 H118 N119	M117-Q148 WeakPolarHBondContact CA-O 3.46Å; H118-Q148 PolarHBondContact CE1-OE1 3.28Å; H118-Q148 PolarHBondContact N-O 2.91Å; H118-Q148 PolarHBondContact ND1-OE1 3.21Å; H118-Q148 PolarHBondContact O-N 3.11Å; N119-Q148 HydrophobicContact CB-CG 4.36Å
149	L	97.5	Very high	87.2	Confident	61 Å²	61	76.9 Å²	76.9	32%	0.319	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	117.8	-179.1	177.2	68.6	0	0	0	110.2	C69 M115 R116 M117 L151	C69-L149 HydrophobicContact CB-CD2 4.05Å; M115-L149 HydrophobicContact CB-CD1 4.12Å; R116-L149 WeakPolarHBondContact O-CA 3.48Å; M117-L149 HydrophobicContact CE-CD1 4.44Å; M117-L149 HydrophobicContact CG-CD1 3.78Å; L149-L151 HydrophobicContact CD1-CD2 3.87Å; L149-L151 HydrophobicContact CD1-CG 4.38Å; L149-L151 HydrophobicContact CD2-CD1 4.11Å; L149-L151 HydrophobicContact CD2-CD2 4.18Å; L149-L151 HydrophobicContact CD2-CG 4.12Å; L149-L151 HydrophobicContact CG-CD2 4.03Å; L149-L151 HydrophobicContact CG-CG 4Å
150	E	97.9	Very high	89.1	Confident	65 Å²	65	69.9 Å²	69.9	30%	0.304	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131	172	-63.8	-69.3	171.9	0	0	109.8	M115 R116 V195	M115-E150 CarbonylContact C-O 3.56Å; M115-E150 VanDerWaalsContact CA-O 3.29Å; M115-E150 WeakPolarHBondContact CA-O 3.42Å; R116-E150 HydrophobicContact CB-CB 4.27Å; R116-E150 PolarHBondContact N-O 3.1Å; R116-E150 PolarHBondContact O-N 2.83Å; E150-V195 HydrophobicContact CB-CB 4.04Å; E150-V195 HydrophobicContact CB-CG1 4.28Å
151	L	97	Very high	91	Very high	50 Å²	50	62.6 Å²	62.6	26%	0.262	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	113.4	-176.2	-64.7	179.3	0	0	0	111.8	T71 L113 M115 L149 M153	T71-L151 HydrophobicContact CG2-CD2 4.37Å; L113-L151 HydrophobicContact CD1-CD2 4.42Å; M115-L151 HydrophobicContact CB-CD2 3.46Å; M115-L151 VanDerWaalsContact CB-CD2 3.46Å; L149-L151 HydrophobicContact CD1-CD2 3.87Å; L149-L151 HydrophobicContact CD1-CG 4.38Å; L149-L151 HydrophobicContact CD2-CD1 4.11Å; L149-L151 HydrophobicContact CD2-CD2 4.18Å; L149-L151 HydrophobicContact CD2-CG 4.12Å; L149-L151 HydrophobicContact CG-CD2 4.03Å; L149-L151 HydrophobicContact CG-CG 4Å; L151-M153 HydrophobicContact CB-CG 4.43Å
152	A	96.8	Very high	92.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	104.5	169	0	0	0	0	0	109.9	L113 V114 Q191 A194 V195 M201 F204	L113-A152 VanDerWaalsContact CA-O 3.27Å; L113-A152 WeakPolarHBondContact CA-O 3.48Å; V114-A152 PolarHBondContact N-O 3.5Å; V114-A152 PolarHBondContact O-N 3.14Å; A152-Q191 HydrophobicContact CB-CB 3.79Å; A152-Q191 HydrophobicContact CB-CG 4.17Å; A152-A194 HydrophobicContact CB-CB 3.96Å; A152-V195 HydrophobicContact CB-CG1 3.67Å; A152-M201 HydrophobicContact CB-CE 4.1Å; A152-M201 HydrophobicContact CB-SD 4.45Å; A152-F204 HydrophobicContact CB-CD1 4.4Å; A152-F204 HydrophobicContact CB-CE1 4.07Å; A152-F204 HydrophobicContact CB-CZ 4.32Å
153	M	95.4	Very high	94.2	Very high	66 Å²	66	52.4 Å²	52.4	33%	0.325	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.8	-175.1	-55.3	179.7	95.9	0	0	112.2	R111 L113 L151 F204	R111-M153 HydrophobicContact CB-CB 4.23Å; R111-M153 HydrophobicContact CB-CE 3.94Å; R111-M153 HydrophobicContact CG-CB 4.26Å; R111-M153 HydrophobicContact CG-CE 3.83Å; L113-M153 HydrophobicContact CB-CB 4.35Å; L113-M153 HydrophobicContact CB-CG 3.93Å; L113-M153 HydrophobicContact CD2-CE 3.76Å; L151-M153 HydrophobicContact CB-CG 4.43Å; M153-F204 WeakPolarHBondContact O-CE1 3.28Å
154	M	94.1	Very high	95.3	Very high	19 Å²	19	47.4 Å²	47.4	9%	0.094	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.3	178.4	-171.3	176.6	53.8	0	0	110.4	R111 L112 H156 F186 Q191 F204 A211	R111-M154 CarbonylContact C-O 3.53Å; R111-M154 WeakPolarHBondContact CA-O 3.47Å; L112-M154 HydrophobicContact CB-CE 4.11Å; L112-M154 HydrophobicContact CD2-CE 3.67Å; L112-M154 HydrophobicContact CG-CE 4.28Å; L112-M154 PolarHBondContact N-O 2.86Å; L112-M154 WeakPolarHBondContact O-CB 3.46Å; L112-M154 PolarHBondContact O-N 3.25Å; M154-H156 PolarHBondContact O-N 3.39Å; M154-F186 HydrophobicContact CE-CD1 3.83Å; M154-F186 HydrophobicContact CE-CE1 4.34Å; M154-F186 HydrophobicContact CE-CG 4.28Å; M154-Q191 VanDerWaalsContact CE-NE2 3.3Å; M154-Q191 PolarHBondContact SD-NE2 2.85Å; M154-F204 HydrophobicContact CB-CZ 4.49Å; M154-A211 HydrophobicContact CE-CB 3.28Å; M154-A211 HydrophobicContact CG-CB 3.66Å; M154-A211 WeakPolarHBondContact SD-CA 3.33Å; M154-A211 HydrophobicContact SD-CB 3.49Å; M154-A211 WeakPolarHBondContact SD-CB 3.48Å
155	P	95.4	Very high	96.2	Very high	38 Å²	38	42.3 Å²	42.3	25%	0.247	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	128.2	176.1	-23.5	33.7	0	0	0	112.5	A211	P155-A211 WeakPolarHBondContact O-CB 3.39Å; P155-A211 PolarHBondContact O-N 3.34Å
156	H	95.8	Very high	96.6	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.037	19%	0.194	C	C	.	.			trans	-125.3	138.5	175	-178.5	-85.6	0	0	0	109.4	N110 M154 G158 I160 E184 F186	N110-H156 WeakPolarHBondContact CB-O 3.26Å; N110-H156 PolarHBondContact O-N 3.49Å; N110-H156 VanDerWaalsContact O-O 3.1Å; M154-H156 PolarHBondContact O-N 3.39Å; H156-G158 PolarHBondContact ND1-O 2.87Å; H156-I160 HydrophobicContact CB-CD1 4.2Å; H156-E184 IonicContact NE2-OE2 2.86Å; H156-E184 PolarHBondContact NE2-OE2 2.86Å; H156-F186 AromaticContact CD2-CZ 3.98Å
157	Y	94.3	Very high	96.8	Very high	154 Å²	154	39.7 Å²	39.7	60%	0.604	20%	0.196	S	C	*	.	S	Bend	trans	-91.1	118.4	176.7	179.5	-91.7	0	0	0	110.6	A107 L108 N180	A107-Y157 HydrophobicContact CB-CE2 4.17Å; L108-Y157 HydrophobicContact CD2-CD2 3.85Å; L108-Y157 HydrophobicContact CD2-CE2 4.14Å; Y157-N180 PolarHBondContact O-ND2 3.06Å
158	G	94.9	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	92.8	156	-174.6	0	0	0	0	0	112.6	A107 N110 H156 D179	A107-G158 PolarHBondContact O-N 2.82Å; N110-G158 WeakPolarHBondContact CB-O 3.35Å; N110-G158 VanDerWaalsContact CG-O 3.22Å; N110-G158 PolarHBondContact ND2-O 2.8Å; H156-G158 PolarHBondContact ND1-O 2.87Å; G158-D179 WeakPolarHBondContact CA-OD1 3.44Å
159	G	97.3	Very high	96.3	Very high	1 Å²	1	37 Å²	37	1%	0.01	19%	0.191	C	C	.	.			trans	-64.8	141.2	174.8	0	0	0	0	0	111.3	N110 S178 D179	N110-G159 PolarHBondContact ND2-N 3Å; G159-S178 VanDerWaalsContact O-CA 3.26Å; G159-S178 WeakPolarHBondContact O-CA 3.43Å; G159-S178 VanDerWaalsContact O-CB 3.25Å; G159-S178 WeakPolarHBondContact O-CB 3.44Å; G159-D179 WeakPolarHBondContact CA-OD2 3.15Å; G159-D179 PolarHBondContact N-OD1 2.82Å; G159-D179 PolarHBondContact N-OD2 2.95Å; G159-D179 PolarHBondContact O-N 2.93Å
160	I	98.2	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	115.4	175.3	-64.4	168.9	0	0	0	107.8	T102 L112 H156 V163 V176	T102-I160 PolarHBondContact O-N 2.94Å; L112-I160 HydrophobicContact CB-CD1 3.97Å; L112-I160 HydrophobicContact CD1-CD1 4.24Å; H156-I160 HydrophobicContact CB-CD1 4.2Å; I160-V163 HydrophobicContact CG2-CB 4.47Å; I160-V176 HydrophobicContact CB-CG1 4.36Å; I160-V176 HydrophobicContact CD1-CG1 4.24Å; I160-V176 HydrophobicContact CG1-CG1 3.82Å; I160-V176 HydrophobicContact CG2-CG1 3.85Å
161	N	98.4	Very high	95.7	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.027	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-42.3	-178.2	-71.3	-3.1	0	0	0	111.4	L76 Q103 W177 E223 G224 F225	L76-N161 WeakPolarHBondContact CD2-O 3.13Å; Q103-N161 PolarHBondContact NE2-OD1 2.98Å; N161-W177 WeakPolarHBondContact CA-O 3.34Å; N161-W177 WeakPolarHBondContact CB-O 3.37Å; N161-W177 PolarHBondContact N-O 3.01Å; N161-E223 PolarHBondContact ND2-OE2 3.08Å; N161-G224 WeakPolarHBondContact CB-O 3.32Å; N161-G224 PolarHBondContact ND2-O 2.67Å; N161-F225 HydrophobicContact CB-CD1 3.68Å; N161-F225 HydrophobicContact CB-CE1 3.81Å
162	R	98.8	Very high	95.6	Very high	22 Å²	22	38.7 Å²	38.7	8%	0.083	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	143.6	174.7	-166.7	164.4	-66.4	174.2	4.9	111.8	V176 W177 F225 I227 E273 D274	R162-V176 WeakPolarHBondContact O-CA 3.44Å; R162-W177 HydrophobicContact CB-CB 4.43Å; R162-W177 PolarHBondContact N-O 2.92Å; R162-W177 VanDerWaalsContact N-O 3.17Å; R162-W177 PolarHBondContact O-N 3.17Å; R162-F225 WeakPolarHBondContact CB-O 3.49Å; R162-F225 WeakPolarHBondContact CD-O 3.5Å; R162-F225 VanDerWaalsContact CZ-O 3.27Å; R162-F225 PolarHBondContact NE-O 2.75Å; R162-I227 HydrophobicContact CB-CD1 4.01Å; R162-I227 HydrophobicContact CB-CG1 3.87Å; R162-I227 HydrophobicContact CG-CD1 3.97Å; R162-I227 HydrophobicContact CG-CG1 3.63Å; R162-I227 WeakPolarHBondContact O-CD1 3.43Å; R162-E273 PolarHBondContact NH2-O 2.78Å; R162-D274 IonicContact CZ-OD1 2.99Å; R162-D274 IonicContact NH1-OD1 2.82Å; R162-D274 PolarHBondContact NH1-OD1 3.06Å
163	V	98.7	Very high	95.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.2	168.9	65.1	0	0	0	0	110.2	S77 L112 I160 A174 A175 V176	S77-V163 PolarHBondContact OG-N 3.1Å; S77-V163 VanDerWaalsContact OG-N 3.11Å; L112-V163 HydrophobicContact CD1-CG2 4.12Å; I160-V163 HydrophobicContact CG2-CB 4.47Å; V163-A174 HydrophobicContact CG2-CB 3.96Å; V163-A175 VanDerWaalsContact CA-O 3.3Å; V163-A175 WeakPolarHBondContact CA-O 3.44Å; V163-V176 HydrophobicContact CG2-CG2 4.13Å
164	R	98.8	Very high	95.8	Very high	17 Å²	17	35.5 Å²	35.5	6%	0.064	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.8	171.6	-68.5	-65.5	-178.8	-100.1	7.6	110.3	S77 D79 A174 A175 I227 W229 E422	S77-R164 PolarHBondContact OG-NH1 2.8Å; D79-R164 VanDerWaalsContact OD2-CA 3.3Å; D79-R164 WeakPolarHBondContact OD2-CA 3.47Å; D79-R164 WeakPolarHBondContact OD2-CD 3.45Å; R164-A174 CarbonylContact O-C 3.59Å; R164-A174 WeakPolarHBondContact O-CA 3.39Å; R164-A175 PolarHBondContact N-O 3.5Å; R164-A175 PolarHBondContact O-N 2.97Å; R164-I227 HydrophobicContact CB-CD1 4.15Å; R164-I227 HydrophobicContact CB-CG1 4.46Å; R164-I227 HydrophobicContact CG-CD1 3.99Å; R164-I227 HydrophobicContact CG-CG1 3.86Å; R164-W229 PolarHBondContact O-NE1 2.71Å; R164-E422 IonicContact CZ-OE1 3Å; R164-E422 IonicContact NH1-OE1 2.85Å; R164-E422 PolarHBondContact NH1-OE1 3.31Å; R164-E422 IonicContact NH1-OE2 3.92Å; R164-E422 IonicContact NH2-OE1 2.98Å; R164-E422 PolarHBondContact NH2-OE1 2.9Å
165	V	98.5	Very high	96	Very high	24 Å²	24	34.6 Å²	34.6	15%	0.145	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	150.9	-179.1	-60.3	0	0	0	0	111.8	D79 V80 M81 C99 L173 A174 L188	D79-V165 HydrophobicContact CB-CG1 4.32Å; D79-V165 HydrophobicContact CB-CG2 4.01Å; D79-V165 PolarHBondContact OD2-N 3.36Å; V80-V165 WeakPolarHBondContact O-CG2 3.48Å; M81-V165 HydrophobicContact CG-CB 4.33Å; M81-V165 HydrophobicContact CG-CG1 4.06Å; M81-V165 HydrophobicContact CG-CG2 4.01Å; C99-V165 HydrophobicContact CB-CG1 3.45Å; C99-V165 VanDerWaalsContact CB-CG1 3.45Å; V165-L173 CarbonylContact C-O 3.57Å; V165-L173 WeakPolarHBondContact CA-O 3.37Å; V165-A174 HydrophobicContact CG1-CB 4.47Å; V165-L188 HydrophobicContact CG1-CD1 4Å
166	T	97.4	Very high	96.2	Very high	29 Å²	29	32.8 Å²	32.8	18%	0.178	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.7	170.6	-165.3	0	0	0	0	110.7	L173 W229	T166-L173 HydrophobicContact CG2-CB 4.06Å; T166-L173 PolarHBondContact N-O 3.38Å; T166-L173 PolarHBondContact O-N 3Å; T166-W229 HydrophobicContact CG2-CD2 3.48Å; T166-W229 VanDerWaalsContact CG2-CD2 3.48Å; T166-W229 VanDerWaalsContact CG2-CE2 3.5Å; T166-W229 HydrophobicContact CG2-CE3 3.78Å; T166-W229 HydrophobicContact CG2-CG 3.91Å; T166-W229 HydrophobicContact CG2-CH2 4.12Å; T166-W229 HydrophobicContact CG2-CZ2 3.82Å; T166-W229 HydrophobicContact CG2-CZ3 4.1Å
167	Q	94.7	Very high	96.3	Very high	110 Å²	110	32.4 Å²	32.4	51%	0.514	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112.1	169.8	-171.7	64.7	32	0	0	108.8	G169 E170	Q167-G169 WeakPolarHBondContact CG-O 3.36Å; Q167-G169 PolarHBondContact NE2-O 3.21Å; Q167-E170 VanDerWaalsContact NE2-C 3.3Å
168	Y	93.3	Very high	96.4	Very high	49 Å²	49	25.1 Å²	25.1	19%	0.192	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	91.5	179.3	-175.6	-128.9	0	0	0	110.9	E170 L171 L173 P234	Y168-E170 PolarHBondContact O-N 2.95Å; Y168-L171 PolarHBondContact N-O 2.82Å; Y168-L171 WeakPolarHBondContact O-CB 3.34Å; Y168-L171 PolarHBondContact O-N 2.89Å; Y168-L171 VanDerWaalsContact O-N 3.08Å; Y168-L173 HydrophobicContact CD1-CD1 4Å; Y168-L173 HydrophobicContact CG-CD1 4.31Å; Y168-P234 HydrophobicContact CD2-CB 3.73Å; Y168-P234 HydrophobicContact CE2-CB 4.06Å; Y168-P234 WeakPolarHBondContact CE2-O 3.37Å
169	G	89.7	Confident	96.5	Very high	58 Å²	58	28.2 Å²	28.2	60%	0.598	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	-120.5	-167	0	0	0	0	0	109.9	Q167	Q167-G169 WeakPolarHBondContact CG-O 3.36Å; Q167-G169 PolarHBondContact NE2-O 3.21Å
170	E	89.3	Confident	96.3	Very high	167 Å²	167	30.8 Å²	30.8	78%	0.78	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-0.2	175.7	-58.5	-57.9	135.8	0	0	113.1	Q167 Y168 P172	Q167-E170 VanDerWaalsContact NE2-C 3.3Å; Y168-E170 PolarHBondContact O-N 2.95Å; E170-P172 WeakPolarHBondContact O-CD 3.46Å
171	L	92.8	Very high	96.2	Very high	37 Å²	37	31.2 Å²	31.2	19%	0.194	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	109.5	-176.5	-59.4	176.2	0	0	0	110.5	Y168 L173	Y168-L171 PolarHBondContact N-O 2.82Å; Y168-L171 WeakPolarHBondContact O-CB 3.34Å; Y168-L171 PolarHBondContact O-N 2.89Å; Y168-L171 VanDerWaalsContact O-N 3.08Å; L171-L173 HydrophobicContact CB-CD2 3.88Å; L171-L173 HydrophobicContact CB-CG 4.07Å; L171-L173 PolarHBondContact O-N 2.78Å
172	P	95.8	Very high	96.1	Very high	8 Å²	8	33 Å²	33	5%	0.052	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	114	160.1	30.3	-34.6	0	0	0	108.5	M81 E170 L188 R189 L192	M81-P172 HydrophobicContact CE-CB 4Å; E170-P172 WeakPolarHBondContact O-CD 3.46Å; P172-L188 HydrophobicContact CB-CB 4.18Å; P172-L188 HydrophobicContact CG-CB 4.19Å; P172-L188 WeakPolarHBondContact O-CB 3.2Å; P172-L188 PolarHBondContact O-N 3.1Å; P172-R189 HydrophobicContact CG-CG 3.71Å; P172-L192 HydrophobicContact CG-CD2 4.23Å
173	L	97.4	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	143.9	-178	-61.2	-177.1	0	0	0	110.8	V165 T166 Y168 L171 I185 F186 L214 W229 W258	V165-L173 CarbonylContact C-O 3.57Å; V165-L173 WeakPolarHBondContact CA-O 3.37Å; T166-L173 HydrophobicContact CG2-CB 4.06Å; T166-L173 PolarHBondContact N-O 3.38Å; T166-L173 PolarHBondContact O-N 3Å; Y168-L173 HydrophobicContact CD1-CD1 4Å; Y168-L173 HydrophobicContact CG-CD1 4.31Å; L171-L173 HydrophobicContact CB-CD2 3.88Å; L171-L173 HydrophobicContact CB-CG 4.07Å; L171-L173 PolarHBondContact O-N 2.78Å; L173-I185 HydrophobicContact CB-CG2 4.24Å; L173-I185 HydrophobicContact CD1-CG2 4.08Å; L173-I185 HydrophobicContact CD2-CG2 4.29Å; L173-I185 HydrophobicContact CG-CG2 4.45Å; L173-F186 VanDerWaalsContact CA-O 3.3Å; L173-F186 WeakPolarHBondContact CA-O 3.47Å; L173-L214 HydrophobicContact CD2-CD1 3.54Å; L173-W229 HydrophobicContact CB-CZ2 4.48Å; L173-W258 HydrophobicContact CD1-CH2 4.01Å; L173-W258 HydrophobicContact CD1-CZ2 3.99Å
174	A	98.3	Very high	96.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.9	163.6	0	0	0	0	0	109.7	L112 V163 R164 V165 I185 F186 L188	L112-A174 HydrophobicContact CD2-CB 4.42Å; V163-A174 HydrophobicContact CG2-CB 3.96Å; R164-A174 CarbonylContact O-C 3.59Å; R164-A174 WeakPolarHBondContact O-CA 3.39Å; V165-A174 HydrophobicContact CG1-CB 4.47Å; A174-I185 CarbonylContact O-C 3.57Å; A174-I185 VanDerWaalsContact O-CA 3.29Å; A174-I185 WeakPolarHBondContact O-CA 3.42Å; A174-F186 PolarHBondContact N-O 3.22Å; A174-F186 PolarHBondContact O-N 3.29Å; A174-L188 HydrophobicContact CB-CD1 3.96Å; A174-L188 HydrophobicContact CB-CD2 3.87Å; A174-L188 HydrophobicContact CB-CG 4.05Å
175	A	98.6	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.8	158.2	0	0	0	0	0	108.3	V163 R164 E184 I227 W229 L237	V163-A175 VanDerWaalsContact CA-O 3.3Å; V163-A175 WeakPolarHBondContact CA-O 3.44Å; R164-A175 PolarHBondContact N-O 3.5Å; R164-A175 PolarHBondContact O-N 2.97Å; A175-E184 CarbonylContact C-O 3.6Å; A175-E184 WeakPolarHBondContact CA-O 3.41Å; A175-I227 HydrophobicContact CB-CD1 4.17Å; A175-I227 WeakPolarHBondContact O-CD1 3.5Å; A175-W229 HydrophobicContact CB-CH2 4.41Å; A175-W229 HydrophobicContact CB-CZ2 3.46Å; A175-W229 VanDerWaalsContact CB-CZ2 3.46Å; A175-L237 HydrophobicContact CB-CD1 4Å; A175-L237 HydrophobicContact CB-CD2 3.93Å
176	V	98.6	Very high	96	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.7	179.1	169.4	0	0	0	0	107.8	L112 I160 R162 V163 V183 E184 F186	L112-V176 HydrophobicContact CD1-CG2 3.82Å; L112-V176 HydrophobicContact CD2-CG2 4.01Å; I160-V176 HydrophobicContact CB-CG1 4.36Å; I160-V176 HydrophobicContact CD1-CG1 4.24Å; I160-V176 HydrophobicContact CG1-CG1 3.82Å; I160-V176 HydrophobicContact CG2-CG1 3.85Å; R162-V176 WeakPolarHBondContact O-CA 3.44Å; V163-V176 HydrophobicContact CG2-CG2 4.13Å; V176-V183 CarbonylContact O-C 3.58Å; V176-V183 VanDerWaalsContact O-CA 3.32Å; V176-V183 WeakPolarHBondContact O-CA 3.21Å; V176-E184 PolarHBondContact N-O 2.78Å; V176-E184 PolarHBondContact O-N 3.42Å; V176-F186 HydrophobicContact CB-CD2 4.12Å; V176-F186 HydrophobicContact CB-CE2 3.84Å; V176-F186 HydrophobicContact CG1-CE2 4.36Å; V176-F186 HydrophobicContact CG2-CD2 3.7Å; V176-F186 HydrophobicContact CG2-CE2 3.81Å
177	W	98.6	Very high	95.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.3	165.2	-167.3	-63.5	0	0	0	108.6	N161 R162 V183 H220 G224 I227 G240 D241	N161-W177 WeakPolarHBondContact CA-O 3.34Å; N161-W177 WeakPolarHBondContact CB-O 3.37Å; N161-W177 PolarHBondContact N-O 3.01Å; R162-W177 HydrophobicContact CB-CB 4.43Å; R162-W177 PolarHBondContact N-O 2.92Å; R162-W177 VanDerWaalsContact N-O 3.17Å; R162-W177 PolarHBondContact O-N 3.17Å; W177-V183 HydrophobicContact CD2-CG2 3.61Å; W177-V183 HydrophobicContact CE3-CB 4.32Å; W177-V183 HydrophobicContact CE3-CG1 4.47Å; W177-V183 HydrophobicContact CE3-CG2 3.03Å; W177-V183 HydrophobicContact CG-CG2 4.38Å; W177-V183 HydrophobicContact CH2-CG2 4.04Å; W177-V183 HydrophobicContact CZ2-CG2 4.44Å; W177-V183 HydrophobicContact CZ3-CG2 3.3Å; W177-H220 HydrophobicContact CH2-CB 4.32Å; W177-H220 AromaticContact CH2-CD2 3.3Å; W177-H220 WeakPolarHBondContact CH2-CD2 3.43Å; W177-H220 AromaticContact CH2-CE1 3.23Å; W177-H220 WeakPolarHBondContact CH2-CE1 3.27Å; W177-H220 AromaticContact CH2-CG 3.44Å; W177-H220 VanDerWaalsContact CH2-CG 3.44Å; W177-H220 AromaticContact CH2-ND1 3.43Å; W177-H220 WeakPolarHBondContact CH2-ND1 3.18Å; W177-H220 AromaticContact CH2-NE2 3.22Å; W177-H220 WeakPolarHBondContact CH2-NE2 3.46Å; W177-H220 HydrophobicContact CZ2-CB 4.39Å; W177-H220 AromaticContact CZ2-CG 3.98Å; W177-H220 AromaticContact CZ3-CD2 3.66Å; W177-H220 AromaticContact CZ3-CE1 3.67Å; W177-H220 AromaticContact CZ3-NE2 3.3Å; W177-H220 VanDerWaalsContact CZ3-NE2 3.3Å; W177-H220 WeakPolarHBondContact CZ3-NE2 3.26Å; W177-G224 VanDerWaalsContact CD1-C 3.43Å; W177-G224 VanDerWaalsContact NE1-C 3.28Å; W177-G224 VanDerWaalsContact NE1-CA 3.29Å; W177-G224 PolarHBondContact NE1-O 2.82Å; W177-I227 HydrophobicContact CB-CD1 4.26Å; W177-I227 HydrophobicContact CB-CG2 3.89Å; W177-I227 HydrophobicContact CD2-CG2 4.15Å; W177-I227 HydrophobicContact CE3-CG2 3.39Å; W177-I227 HydrophobicContact CG-CG2 4.38Å; W177-I227 HydrophobicContact CZ3-CG2 4.3Å; W177-G240 WeakPolarHBondContact CH2-O 3.33Å; W177-G240 WeakPolarHBondContact CZ2-O 3.15Å; W177-G240 WeakPolarHBondContact CZ3-O 2.99Å; W177-D241 HydrophobicContact CH2-CB 3.83Å; W177-D241 HydrophobicContact CZ2-CB 3.76Å
178	S	96.8	Very high	95.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	162.1	-174.3	58.9	0	0	0	0	114.3	G159 N180 G181 Q182	G159-S178 VanDerWaalsContact O-CA 3.26Å; G159-S178 WeakPolarHBondContact O-CA 3.43Å; G159-S178 VanDerWaalsContact O-CB 3.25Å; G159-S178 WeakPolarHBondContact O-CB 3.44Å; S178-N180 PolarHBondContact O-N 3.17Å; S178-N180 PolarHBondContact OG-ND2 3.26Å; S178-N180 VanDerWaalsContact OG-ND2 3.14Å; S178-N180 PolarHBondContact OG-OD1 3.27Å; S178-G181 PolarHBondContact O-N 2.5Å; S178-G181 VanDerWaalsContact O-N 3.15Å; S178-Q182 PolarHBondContact N-O 2.8Å; S178-Q182 VanDerWaalsContact N-O 3.13Å; S178-Q182 PolarHBondContact OG-O 2.85Å
179	D	96.2	Very high	96	Very high	66 Å²	66	29 Å²	29	35%	0.353	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-13.5	-179.6	68.5	-1.3	0	0	0	114	G158 G159 G181 E223	G158-D179 WeakPolarHBondContact CA-OD1 3.44Å; G159-D179 WeakPolarHBondContact CA-OD2 3.15Å; G159-D179 PolarHBondContact N-OD1 2.82Å; G159-D179 PolarHBondContact N-OD2 2.95Å; G159-D179 PolarHBondContact O-N 2.93Å; D179-G181 PolarHBondContact O-N 2.57Å; D179-E223 WeakPolarHBondContact CA-OE2 3.39Å; D179-E223 WeakPolarHBondContact CB-OE2 3.3Å
180	N	94.5	Very high	96.2	Very high	54 Å²	54	29.2 Å²	29.2	29%	0.289	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	0.4	174.7	70.6	25.8	0	0	0	112.7	Y157 S178 Q182	Y157-N180 PolarHBondContact O-ND2 3.06Å; S178-N180 PolarHBondContact O-N 3.17Å; S178-N180 PolarHBondContact OG-ND2 3.26Å; S178-N180 VanDerWaalsContact OG-ND2 3.14Å; S178-N180 PolarHBondContact OG-OD1 3.27Å; N180-Q182 WeakPolarHBondContact OD1-CA 3.29Å; N180-Q182 WeakPolarHBondContact OD1-CB 3.42Å; N180-Q182 WeakPolarHBondContact OD1-CG 3.36Å; N180-Q182 PolarHBondContact OD1-N 3.35Å
181	G	95.9	Very high	96.5	Very high	9 Å²	9	21.4 Å²	21.4	9%	0.093	11%	0.11	C	C	.	.	S	Bend	trans	79.4	19.3	179.5	0	0	0	0	0	114.4	S178 D179	S178-G181 PolarHBondContact O-N 2.5Å; S178-G181 VanDerWaalsContact O-N 3.15Å; D179-G181 PolarHBondContact O-N 2.57Å
182	Q	96.6	Very high	96.6	Very high	43 Å²	43	21.8 Å²	21.8	20%	0.201	11%	0.112	C	C	.	.			trans	-113.1	149.8	179.1	-54.2	-61.4	-56.3	0	0	112	S178 N180 E184 F217 S218	S178-Q182 PolarHBondContact N-O 2.8Å; S178-Q182 VanDerWaalsContact N-O 3.13Å; S178-Q182 PolarHBondContact OG-O 2.85Å; N180-Q182 WeakPolarHBondContact OD1-CA 3.29Å; N180-Q182 WeakPolarHBondContact OD1-CB 3.42Å; N180-Q182 WeakPolarHBondContact OD1-CG 3.36Å; N180-Q182 PolarHBondContact OD1-N 3.35Å; Q182-E184 HydrophobicContact CB-CG 4.11Å; Q182-F217 PolarHBondContact OE1-O 2.87Å; Q182-F217 VanDerWaalsContact OE1-O 3.08Å; Q182-S218 VanDerWaalsContact NE2-CB 3.27Å; Q182-S218 VanDerWaalsContact OE1-N 3.1Å
183	V	98.2	Very high	96.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.5	164	-172.2	0	0	0	0	108.5	V176 W177 F217 I227 L237 W249	V176-V183 CarbonylContact O-C 3.58Å; V176-V183 VanDerWaalsContact O-CA 3.32Å; V176-V183 WeakPolarHBondContact O-CA 3.21Å; W177-V183 HydrophobicContact CD2-CG2 3.61Å; W177-V183 HydrophobicContact CE3-CB 4.32Å; W177-V183 HydrophobicContact CE3-CG1 4.47Å; W177-V183 HydrophobicContact CE3-CG2 3.03Å; W177-V183 HydrophobicContact CG-CG2 4.38Å; W177-V183 HydrophobicContact CH2-CG2 4.04Å; W177-V183 HydrophobicContact CZ2-CG2 4.44Å; W177-V183 HydrophobicContact CZ3-CG2 3.3Å; V183-F217 PolarHBondContact N-O 3.23Å; V183-F217 PolarHBondContact O-N 3.32Å; V183-I227 HydrophobicContact CG1-CG2 4.48Å; V183-L237 HydrophobicContact CG1-CD2 4.13Å; V183-W249 HydrophobicContact CB-CH2 3.75Å; V183-W249 HydrophobicContact CB-CZ2 3.57Å; V183-W249 HydrophobicContact CG1-CH2 3.86Å; V183-W249 HydrophobicContact CG1-CZ2 3.74Å; V183-W249 HydrophobicContact CG2-CZ2 4.21Å
184	E	98	Very high	96.6	Very high	26 Å²	26	27.5 Å²	27.5	12%	0.121	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.4	-171.5	-60.5	-167.9	121.3	0	0	110.7	H156 A175 V176 Q182 F186 P213 F215 S216	H156-E184 IonicContact NE2-OE2 2.86Å; H156-E184 PolarHBondContact NE2-OE2 2.86Å; A175-E184 CarbonylContact C-O 3.6Å; A175-E184 WeakPolarHBondContact CA-O 3.41Å; V176-E184 PolarHBondContact N-O 2.78Å; V176-E184 PolarHBondContact O-N 3.42Å; Q182-E184 HydrophobicContact CB-CG 4.11Å; E184-F186 HydrophobicContact CB-CD2 4.32Å; E184-F186 HydrophobicContact CB-CE2 3.52Å; E184-F186 HydrophobicContact CB-CZ 3.84Å; E184-P213 HydrophobicContact CB-CB 4.06Å; E184-P213 HydrophobicContact CG-CB 4.5Å; E184-F215 WeakPolarHBondContact CA-O 3.49Å; E184-S216 PolarHBondContact OE1-OG 2.76Å
185	I	98.1	Very high	96.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.7	178.4	-61.4	168.5	0	0	0	108.4	L173 A174 P213 L214 F215 W229 W249 W258	L173-I185 HydrophobicContact CB-CG2 4.24Å; L173-I185 HydrophobicContact CD1-CG2 4.08Å; L173-I185 HydrophobicContact CD2-CG2 4.29Å; L173-I185 HydrophobicContact CG-CG2 4.45Å; A174-I185 CarbonylContact O-C 3.57Å; A174-I185 VanDerWaalsContact O-CA 3.29Å; A174-I185 WeakPolarHBondContact O-CA 3.42Å; I185-P213 CarbonylContact O-C 3.52Å; I185-P213 WeakPolarHBondContact O-CA 3.3Å; I185-L214 WeakPolarHBondContact O-CB 2.85Å; I185-L214 PolarHBondContact O-N 2.84Å; I185-F215 HydrophobicContact CB-CB 4.49Å; I185-F215 PolarHBondContact N-O 3.29Å; I185-F215 PolarHBondContact O-N 3.4Å; I185-W229 HydrophobicContact CD1-CH2 3.88Å; I185-W229 HydrophobicContact CG1-CH2 4.12Å; I185-W229 HydrophobicContact CG1-CZ2 4.45Å; I185-W229 HydrophobicContact CG2-CH2 4.34Å; I185-W249 HydrophobicContact CD1-CE3 4.16Å; I185-W249 HydrophobicContact CD1-CZ3 4.02Å; I185-W258 HydrophobicContact CB-CH2 4.49Å; I185-W258 HydrophobicContact CB-CZ3 4.49Å; I185-W258 HydrophobicContact CD1-CD2 3.49Å; I185-W258 VanDerWaalsContact CD1-CD2 3.49Å; I185-W258 VanDerWaalsContact CD1-CE2 3.46Å; I185-W258 HydrophobicContact CD1-CE3 3.67Å; I185-W258 HydrophobicContact CD1-CG 4.12Å; I185-W258 HydrophobicContact CD1-CH2 3.91Å; I185-W258 HydrophobicContact CD1-CZ2 3.7Å; I185-W258 HydrophobicContact CD1-CZ3 3.89Å; I185-W258 HydrophobicContact CG2-CH2 3.83Å; I185-W258 HydrophobicContact CG2-CZ2 4.25Å; I185-W258 HydrophobicContact CG2-CZ3 4.28Å
186	F	97.1	Very high	96.4	Very high	2 Å²	2	32 Å²	32	1%	0.009	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144.6	-178.4	-64.3	-83.5	0	0	0	111.8	L112 M154 H156 L173 A174 V176 E184 A211 P213	L112-F186 HydrophobicContact CD2-CB 3.79Å; L112-F186 HydrophobicContact CD2-CD1 4.39Å; L112-F186 HydrophobicContact CD2-CD2 3.58Å; L112-F186 HydrophobicContact CD2-CE2 4.25Å; L112-F186 HydrophobicContact CD2-CG 3.65Å; M154-F186 HydrophobicContact CE-CD1 3.83Å; M154-F186 HydrophobicContact CE-CE1 4.34Å; M154-F186 HydrophobicContact CE-CG 4.28Å; H156-F186 AromaticContact CD2-CZ 3.98Å; L173-F186 VanDerWaalsContact CA-O 3.3Å; L173-F186 WeakPolarHBondContact CA-O 3.47Å; A174-F186 PolarHBondContact N-O 3.22Å; A174-F186 PolarHBondContact O-N 3.29Å; V176-F186 HydrophobicContact CB-CD2 4.12Å; V176-F186 HydrophobicContact CB-CE2 3.84Å; V176-F186 HydrophobicContact CG1-CE2 4.36Å; V176-F186 HydrophobicContact CG2-CD2 3.7Å; V176-F186 HydrophobicContact CG2-CE2 3.81Å; E184-F186 HydrophobicContact CB-CD2 4.32Å; E184-F186 HydrophobicContact CB-CE2 3.52Å; E184-F186 HydrophobicContact CB-CZ 3.84Å; F186-A211 HydrophobicContact CD1-CB 4.03Å; F186-A211 HydrophobicContact CE1-CB 3.44Å; F186-A211 VanDerWaalsContact CE1-CB 3.44Å; F186-A211 HydrophobicContact CZ-CB 4.11Å; F186-P213 HydrophobicContact CD1-CB 4.18Å; F186-P213 HydrophobicContact CE1-CB 3.71Å; F186-P213 HydrophobicContact CE1-CG 4.35Å; F186-P213 HydrophobicContact CZ-CB 3.98Å
187	D	95.3	Very high	96.3	Very high	30 Å²	30	34.4 Å²	34.4	16%	0.16	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	122.1	167.3	-173.4	-11.3	0	0	0	109.5	R189 Q191 L214	D187-R189 WeakPolarHBondContact OD1-CB 3.13Å; D187-R189 VanDerWaalsContact OD1-CG 3.26Å; D187-R189 WeakPolarHBondContact OD1-CG 3.45Å; D187-R189 PolarHBondContact OD1-N 3.24Å; D187-R189 IonicContact OD1-NE 2.57Å; D187-R189 PolarHBondContact OD1-NE 2.92Å; D187-R189 VanDerWaalsContact OD1-NE 3.1Å; D187-R189 IonicContact OD2-CZ 3.55Å; D187-R189 VanDerWaalsContact OD2-CZ 3.23Å; D187-R189 IonicContact OD2-NE 3.27Å; D187-R189 PolarHBondContact OD2-NE 2.85Å; D187-R189 IonicContact OD2-NH2 2.99Å; D187-R189 PolarHBondContact OD2-NH2 3.03Å; D187-Q191 PolarHBondContact O-OE1 3.22Å; D187-L214 HydrophobicContact CB-CD1 3.93Å; D187-L214 HydrophobicContact CB-CD2 4.19Å; D187-L214 HydrophobicContact CB-CG 4.08Å
188	L	96.1	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.			trans	-93.4	-1.1	-177.5	-60.6	-179.1	0	0	0	113.9	M81 C99 L112 V114 V165 P172 A174 Q191 L192	M81-L188 HydrophobicContact CE-CB 4.3Å; M81-L188 HydrophobicContact CE-CD1 3.71Å; M81-L188 HydrophobicContact SD-CD1 3.92Å; C99-L188 HydrophobicContact CB-CD1 4.24Å; L112-L188 HydrophobicContact CD2-CD2 4.31Å; V114-L188 HydrophobicContact CG2-CB 4.37Å; V114-L188 HydrophobicContact CG2-CD1 4.37Å; V114-L188 HydrophobicContact CG2-CD2 4.09Å; V165-L188 HydrophobicContact CG1-CD1 4Å; P172-L188 HydrophobicContact CB-CB 4.18Å; P172-L188 HydrophobicContact CG-CB 4.19Å; P172-L188 WeakPolarHBondContact O-CB 3.2Å; P172-L188 PolarHBondContact O-N 3.1Å; A174-L188 HydrophobicContact CB-CD1 3.96Å; A174-L188 HydrophobicContact CB-CD2 3.87Å; A174-L188 HydrophobicContact CB-CG 4.05Å; L188-Q191 PolarHBondContact O-N 2.86Å; L188-Q191 PolarHBondContact O-OE1 2.88Å; L188-L192 WeakPolarHBondContact O-CB 3.35Å; L188-L192 PolarHBondContact O-N 2.74Å
189	R	94.8	Very high	96.1	Very high	108 Å²	108	42.3 Å²	42.3	41%	0.408	24%	0.235	S	C	.	.	H	α-helix	trans	-55.7	-45.5	-177.8	-68.8	177.2	-65.7	167.6	1.1	113.6	P172 D187 Q191 L192 E193	P172-R189 HydrophobicContact CG-CG 3.71Å; D187-R189 WeakPolarHBondContact OD1-CB 3.13Å; D187-R189 VanDerWaalsContact OD1-CG 3.26Å; D187-R189 WeakPolarHBondContact OD1-CG 3.45Å; D187-R189 PolarHBondContact OD1-N 3.24Å; D187-R189 IonicContact OD1-NE 2.57Å; D187-R189 PolarHBondContact OD1-NE 2.92Å; D187-R189 VanDerWaalsContact OD1-NE 3.1Å; D187-R189 IonicContact OD2-CZ 3.55Å; D187-R189 VanDerWaalsContact OD2-CZ 3.23Å; D187-R189 IonicContact OD2-NE 3.27Å; D187-R189 PolarHBondContact OD2-NE 2.85Å; D187-R189 IonicContact OD2-NH2 2.99Å; D187-R189 PolarHBondContact OD2-NH2 3.03Å; R189-Q191 VanDerWaalsContact C-N 3.29Å; R189-Q191 PolarHBondContact O-N 2.81Å; R189-L192 PolarHBondContact O-N 3.49Å; R189-E193 WeakPolarHBondContact O-CB 3.45Å; R189-E193 WeakPolarHBondContact O-CG 3.47Å; R189-E193 PolarHBondContact O-N 3.16Å
190	P	93.7	Very high	96	Very high	64 Å²	64	40.5 Å²	40.5	42%	0.416	23%	0.23	S	C	.	.	H	α-helix	trans	-59.5	-39.9	-180	-24.2	34.8	0	0	0	113.2	A194 F204	P190-A194 WeakPolarHBondContact O-CB 3.37Å; P190-A194 PolarHBondContact O-N 2.86Å; P190-A194 VanDerWaalsContact O-N 3.1Å; P190-F204 HydrophobicContact CB-CD2 4.38Å; P190-F204 HydrophobicContact CB-CE2 4.3Å
191	Q	95.5	Very high	96.1	Very high	3 Å²	3	39 Å²	39	1%	0.014	22%	0.222	C	C	.	.	H	α-helix	trans	-72	-41.5	178.7	-63.6	83.9	-21.3	0	0	110.7	V114 A152 M154 D187 L188 R189 A194 V195 F204	V114-Q191 HydrophobicContact CB-CB 3.78Å; V114-Q191 HydrophobicContact CG2-CB 3.54Å; V114-Q191 HydrophobicContact CG2-CG 4.26Å; A152-Q191 HydrophobicContact CB-CB 3.79Å; A152-Q191 HydrophobicContact CB-CG 4.17Å; M154-Q191 VanDerWaalsContact CE-NE2 3.3Å; M154-Q191 PolarHBondContact SD-NE2 2.85Å; D187-Q191 PolarHBondContact O-OE1 3.22Å; L188-Q191 PolarHBondContact O-N 2.86Å; L188-Q191 PolarHBondContact O-OE1 2.88Å; R189-Q191 VanDerWaalsContact C-N 3.29Å; R189-Q191 PolarHBondContact O-N 2.81Å; Q191-A194 WeakPolarHBondContact O-CB 3.26Å; Q191-A194 PolarHBondContact O-N 2.86Å; Q191-V195 PolarHBondContact O-N 2.92Å; Q191-F204 HydrophobicContact CG-CE2 3.91Å; Q191-F204 HydrophobicContact CG-CZ 3.86Å
192	L	95.7	Very high	96	Very high	45 Å²	45	41 Å²	41	24%	0.236	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-43	177.6	-174.3	62.9	0	0	0	111.5	M81 L97 P172 L188 R189 A194 V195 H196	M81-L192 HydrophobicContact CE-CD1 4.41Å; L97-L192 HydrophobicContact CD1-CD1 3.6Å; L97-L192 HydrophobicContact CD2-CD1 4.04Å; L97-L192 HydrophobicContact CG-CD1 4.44Å; P172-L192 HydrophobicContact CG-CD2 4.23Å; L188-L192 WeakPolarHBondContact O-CB 3.35Å; L188-L192 PolarHBondContact O-N 2.74Å; R189-L192 PolarHBondContact O-N 3.49Å; L192-A194 VanDerWaalsContact C-N 3.32Å; L192-V195 HydrophobicContact CD1-CG2 4.5Å; L192-V195 WeakPolarHBondContact O-CG2 3.46Å; L192-H196 PolarHBondContact O-ND1 2.91Å
193	E	95.3	Very high	95.9	Very high	127 Å²	127	42.3 Å²	42.3	59%	0.593	25%	0.248	S	C	*	.	H	α-helix	trans	-62.5	-40.6	173.4	-73.2	175.4	-170.3	0	0	111.5	R189 H196 S197 A200	R189-E193 WeakPolarHBondContact O-CB 3.45Å; R189-E193 WeakPolarHBondContact O-CG 3.47Å; R189-E193 PolarHBondContact O-N 3.16Å; E193-H196 PolarHBondContact O-N 2.85Å; E193-S197 PolarHBondContact O-N 3.15Å; E193-A200 WeakPolarHBondContact O-CB 3.5Å
194	A	96.3	Very high	95.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-48.7	-180	0	0	0	0	0	112.6	A152 P190 Q191 L192 H196 S197 M201 F204	A152-A194 HydrophobicContact CB-CB 3.96Å; P190-A194 WeakPolarHBondContact O-CB 3.37Å; P190-A194 PolarHBondContact O-N 2.86Å; P190-A194 VanDerWaalsContact O-N 3.1Å; Q191-A194 WeakPolarHBondContact O-CB 3.26Å; Q191-A194 PolarHBondContact O-N 2.86Å; L192-A194 VanDerWaalsContact C-N 3.32Å; A194-H196 PolarHBondContact O-N 2.95Å; A194-H196 VanDerWaalsContact O-N 3.14Å; A194-S197 PolarHBondContact O-N 3.29Å; A194-S197 VanDerWaalsContact O-O 3.08Å; A194-M201 HydrophobicContact CB-CE 4.12Å; A194-M201 HydrophobicContact CB-SD 4.03Å; A194-F204 HydrophobicContact CB-CB 3.86Å; A194-F204 HydrophobicContact CB-CD1 4.46Å; A194-F204 HydrophobicContact CB-CD2 4.26Å; A194-F204 HydrophobicContact CB-CG 3.95Å
195	V	97.4	Very high	95.3	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-69.2	-10	-178.4	-60.5	0	0	0	0	114.2	L97 V114 R116 E150 A152 Q191 L192 M201	L97-V195 HydrophobicContact CD2-CG2 3.97Å; V114-V195 HydrophobicContact CG1-CG1 4.44Å; V114-V195 HydrophobicContact CG1-CG2 4.2Å; V114-V195 WeakPolarHBondContact O-CG1 3.21Å; R116-V195 HydrophobicContact CB-CB 3.81Å; R116-V195 HydrophobicContact CB-CG2 3.92Å; R116-V195 VanDerWaalsContact CD-O 3.26Å; R116-V195 WeakPolarHBondContact CD-O 3.37Å; E150-V195 HydrophobicContact CB-CB 4.04Å; E150-V195 HydrophobicContact CB-CG1 4.28Å; A152-V195 HydrophobicContact CB-CG1 3.67Å; Q191-V195 PolarHBondContact O-N 2.92Å; L192-V195 HydrophobicContact CD1-CG2 4.5Å; L192-V195 WeakPolarHBondContact O-CG2 3.46Å; V195-M201 HydrophobicContact CG1-CE 4.04Å
196	H	96.3	Very high	94.9	Very high	91 Å²	91	54.6 Å²	54.6	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-101	-8.5	176.4	-72.7	91.6	0	0	0	113.8	L192 E193 A194	L192-H196 PolarHBondContact O-ND1 2.91Å; E193-H196 PolarHBondContact O-N 2.85Å; A194-H196 PolarHBondContact O-N 2.95Å; A194-H196 VanDerWaalsContact O-N 3.14Å
197	S	96.4	Very high	94.4	Very high	51 Å²	51	59.7 Å²	59.7	36%	0.357	33%	0.334	S	S	.	.			trans	-148.6	117.3	-174.2	169.3	0	0	0	0	111.3	E193 A194 A199 A200 M201	E193-S197 PolarHBondContact O-N 3.15Å; A194-S197 PolarHBondContact O-N 3.29Å; A194-S197 VanDerWaalsContact O-O 3.08Å; S197-A199 PolarHBondContact O-N 3.2Å; S197-A199 VanDerWaalsContact O-N 3.12Å; S197-A199 PolarHBondContact OG-N 3.38Å; S197-A200 CarbonylContact O-C 3.58Å; S197-A200 WeakPolarHBondContact O-CA 3.36Å; S197-A200 WeakPolarHBondContact O-CB 3.27Å; S197-A200 PolarHBondContact O-N 2.82Å; S197-A200 PolarHBondContact OG-N 3.36Å; S197-M201 PolarHBondContact O-N 2.77Å
198	S	94.7	Very high	93.2	Very high	96 Å²	96	65.7 Å²	65.7	67%	0.671	36%	0.361	S	S	*	.	H	α-helix	trans	-57.4	-31.3	177.1	-41.4	0	0	0	0	112.5	A202	S198-A202 WeakPolarHBondContact O-CB 3.16Å; S198-A202 PolarHBondContact O-N 2.59Å
199	A	95.6	Very high	92.3	Very high	70 Å²	70	72.6 Å²	72.6	58%	0.579	39%	0.391	S	S	*	.	H	α-helix	trans	-70.8	-40.2	174.6	0	0	0	0	0	112.4	S197 T203	S197-A199 PolarHBondContact O-N 3.2Å; S197-A199 VanDerWaalsContact O-N 3.12Å; S197-A199 PolarHBondContact OG-N 3.38Å; A199-T203 PolarHBondContact O-N 3.27Å; A199-T203 PolarHBondContact O-OG1 3.01Å
200	A	95.6	Very high	91.3	Very high	29 Å²	29	74.8 Å²	74.8	24%	0.24	41%	0.406	C	S	.	.	H	α-helix	trans	-67.9	-41.6	174.2	0	0	0	0	0	110.9	E193 S197 A202 T203 F204	E193-A200 WeakPolarHBondContact O-CB 3.5Å; S197-A200 CarbonylContact O-C 3.58Å; S197-A200 WeakPolarHBondContact O-CA 3.36Å; S197-A200 WeakPolarHBondContact O-CB 3.27Å; S197-A200 PolarHBondContact O-N 2.82Å; S197-A200 PolarHBondContact OG-N 3.36Å; A200-A202 PolarHBondContact O-N 2.92Å; A200-T203 WeakPolarHBondContact O-CB 3.46Å; A200-T203 PolarHBondContact O-N 2.92Å; A200-T203 VanDerWaalsContact O-N 3.16Å; A200-F204 WeakPolarHBondContact O-CB 3.45Å; A200-F204 PolarHBondContact O-N 2.85Å
201	M	95.9	Very high	90.4	Very high	23 Å²	23	72.6 Å²	72.6	11%	0.113	39%	0.393	C	S	.	.	H	α-helix	trans	-57.8	-48.4	174.4	-173	60.6	80.9	0	0	112	A152 A194 V195 S197 T203 F204 V205	A152-M201 HydrophobicContact CB-CE 4.1Å; A152-M201 HydrophobicContact CB-SD 4.45Å; A194-M201 HydrophobicContact CB-CE 4.12Å; A194-M201 HydrophobicContact CB-SD 4.03Å; V195-M201 HydrophobicContact CG1-CE 4.04Å; S197-M201 PolarHBondContact O-N 2.77Å; M201-T203 VanDerWaalsContact C-N 3.25Å; M201-T203 PolarHBondContact O-N 2.88Å; M201-F204 WeakPolarHBondContact O-CB 3.47Å; M201-F204 PolarHBondContact O-N 2.85Å; M201-F204 VanDerWaalsContact O-N 3.15Å; M201-F204 HydrophobicContact SD-CD1 4.48Å; M201-V205 HydrophobicContact CG-CG2 4.4Å; M201-V205 WeakPolarHBondContact O-CG2 3.21Å; M201-V205 PolarHBondContact O-N 3.46Å; M201-V205 HydrophobicContact SD-CG2 4.18Å
202	A	94.6	Very high	90	Very high	49 Å²	49	78.1 Å²	78.1	41%	0.405	43%	0.427	S	S	.	.	H	α-helix	trans	-58.1	-39.9	176.7	0	0	0	0	0	112	S198 A200 Q206	S198-A202 WeakPolarHBondContact O-CB 3.16Å; S198-A202 PolarHBondContact O-N 2.59Å; A200-A202 PolarHBondContact O-N 2.92Å; A202-Q206 VanDerWaalsContact O-CG 3.26Å; A202-Q206 WeakPolarHBondContact O-CG 3.23Å; A202-Q206 PolarHBondContact O-N 3.31Å
203	T	93.3	Very high	90	Very high	71 Å²	71	77.8 Å²	77.8	44%	0.436	43%	0.428	S	S	.	.	H	α-helix	trans	-68.5	-42.8	176.4	-57	0	0	0	0	111.7	A199 A200 M201 Q206 Q207	A199-T203 PolarHBondContact O-N 3.27Å; A199-T203 PolarHBondContact O-OG1 3.01Å; A200-T203 WeakPolarHBondContact O-CB 3.46Å; A200-T203 PolarHBondContact O-N 2.92Å; A200-T203 VanDerWaalsContact O-N 3.16Å; M201-T203 VanDerWaalsContact C-N 3.25Å; M201-T203 PolarHBondContact O-N 2.88Å; T203-Q206 PolarHBondContact O-N 2.9Å; T203-Q207 WeakPolarHBondContact O-CG 3.49Å; T203-Q207 PolarHBondContact O-N 3.41Å
204	F	92.5	Very high	89.9	Confident	42 Å²	42	74.9 Å²	74.9	18%	0.184	42%	0.416	C	S	.	.	H	α-helix	trans	-60.1	-49.4	178.6	179.7	-91.4	0	0	0	111.2	A152 M153 M154 P190 Q191 A194 A200 M201 Q206 Q207	A152-F204 HydrophobicContact CB-CD1 4.4Å; A152-F204 HydrophobicContact CB-CE1 4.07Å; A152-F204 HydrophobicContact CB-CZ 4.32Å; M153-F204 WeakPolarHBondContact O-CE1 3.28Å; M154-F204 HydrophobicContact CB-CZ 4.49Å; P190-F204 HydrophobicContact CB-CD2 4.38Å; P190-F204 HydrophobicContact CB-CE2 4.3Å; Q191-F204 HydrophobicContact CG-CE2 3.91Å; Q191-F204 HydrophobicContact CG-CZ 3.86Å; A194-F204 HydrophobicContact CB-CB 3.86Å; A194-F204 HydrophobicContact CB-CD1 4.46Å; A194-F204 HydrophobicContact CB-CD2 4.26Å; A194-F204 HydrophobicContact CB-CG 3.95Å; A200-F204 WeakPolarHBondContact O-CB 3.45Å; A200-F204 PolarHBondContact O-N 2.85Å; M201-F204 WeakPolarHBondContact O-CB 3.47Å; M201-F204 PolarHBondContact O-N 2.85Å; M201-F204 VanDerWaalsContact O-N 3.15Å; M201-F204 HydrophobicContact SD-CD1 4.48Å; F204-Q206 VanDerWaalsContact C-N 3.32Å; F204-Q206 PolarHBondContact O-N 3.41Å; F204-Q207 PolarHBondContact O-N 3.32Å
205	V	91.5	Very high	89.9	Confident	81 Å²	81	77.1 Å²	77.1	49%	0.491	43%	0.425	S	S	.	.	H	α-helix	trans	-63.7	-35.5	179.2	173.8	0	0	0	0	112	M201 Q207 Q208	M201-V205 HydrophobicContact CG-CG2 4.4Å; M201-V205 WeakPolarHBondContact O-CG2 3.21Å; M201-V205 PolarHBondContact O-N 3.46Å; M201-V205 HydrophobicContact SD-CG2 4.18Å; V205-Q207 VanDerWaalsContact C-N 3.35Å; V205-Q207 PolarHBondContact O-N 3.34Å; V205-Q208 WeakPolarHBondContact O-CG 3.47Å
206	Q	89.8	Confident	89.9	Confident	161 Å²	161	79.5 Å²	79.5	75%	0.752	44%	0.442	S	S	*	.	H	α-helix	trans	-69.4	-30.2	178.1	-77.4	175.2	12	0	0	113.6	A202 T203 F204	A202-Q206 VanDerWaalsContact O-CG 3.26Å; A202-Q206 WeakPolarHBondContact O-CG 3.23Å; A202-Q206 PolarHBondContact O-N 3.31Å; T203-Q206 PolarHBondContact O-N 2.9Å; F204-Q206 VanDerWaalsContact C-N 3.32Å; F204-Q206 PolarHBondContact O-N 3.41Å
207	Q	86.1	Confident	89.9	Confident	109 Å²	109	76 Å²	76	51%	0.509	43%	0.426	S	S	.	.	H	α-helix	trans	-75.7	-30.8	-176.8	-71.6	-177.5	30.9	0	0	112.9	T203 F204 V205 K209	T203-Q207 WeakPolarHBondContact O-CG 3.49Å; T203-Q207 PolarHBondContact O-N 3.41Å; F204-Q207 PolarHBondContact O-N 3.32Å; V205-Q207 VanDerWaalsContact C-N 3.35Å; V205-Q207 PolarHBondContact O-N 3.34Å; Q207-K209 HydrophobicContact CB-CG 4.4Å; Q207-K209 PolarHBondContact O-N 2.97Å
208	Q	70.3	Confident	89.9	Confident	157 Å²	157	77.8 Å²	77.8	73%	0.734	44%	0.438	S	S	*	.			trans	36.4	40.8	-178.4	-61.8	-159.2	-27.7	0	0	114.8	V205	V205-Q208 WeakPolarHBondContact O-CG 3.47Å
209	K	77.2	Confident	89.9	Confident	144 Å²	144	74.8 Å²	74.8	63%	0.626	42%	0.423	S	S	*	.			trans	-76.1	138.9	179.6	-70.4	179.8	-177.6	168.3	0	109.6	Q207	Q207-K209 HydrophobicContact CB-CG 4.4Å; Q207-K209 PolarHBondContact O-N 2.97Å
210	E	74.6	Confident	89.9	Confident	154 Å²	154	72.2 Å²	72.2	72%	0.72	40%	0.399	S	S	*	.			trans	-57.5	149.4	169.2	-71.4	-177.4	169.2	0	0	110.7	T212	E210-T212 PolarHBondContact O-N 3.25Å
211	A	74.2	Confident	89.9	Confident	18 Å²	18	77.4 Å²	77.4	15%	0.149	42%	0.42	C	S	.	.			trans	-57.7	111.7	173.4	0	0	0	0	0	110.6	M154 P155 F186 P213	M154-A211 HydrophobicContact CE-CB 3.28Å; M154-A211 HydrophobicContact CG-CB 3.66Å; M154-A211 WeakPolarHBondContact SD-CA 3.33Å; M154-A211 HydrophobicContact SD-CB 3.49Å; M154-A211 WeakPolarHBondContact SD-CB 3.48Å; P155-A211 WeakPolarHBondContact O-CB 3.39Å; P155-A211 PolarHBondContact O-N 3.34Å; F186-A211 HydrophobicContact CD1-CB 4.03Å; F186-A211 HydrophobicContact CE1-CB 3.44Å; F186-A211 VanDerWaalsContact CE1-CB 3.44Å; F186-A211 HydrophobicContact CZ-CB 4.11Å; A211-P213 WeakPolarHBondContact O-CD 3.39Å
212	T	87.9	Confident	90	Very high	119 Å²	119	78.2 Å²	78.2	73%	0.73	43%	0.427	S	S	*	.			trans	-96.8	109.7	171.8	-53.4	0	0	0	0	107.7	E210	E210-T212 PolarHBondContact O-N 3.25Å
213	P	94.4	Very high	90.1	Very high	39 Å²	39	79.2 Å²	79.2	25%	0.253	42%	0.424	S	S	.	.			trans	-65.7	141.6	177.2	28.6	-34.9	0	0	0	109.8	E184 I185 F186 A211 F215	E184-P213 HydrophobicContact CB-CB 4.06Å; E184-P213 HydrophobicContact CG-CB 4.5Å; I185-P213 CarbonylContact O-C 3.52Å; I185-P213 WeakPolarHBondContact O-CA 3.3Å; F186-P213 HydrophobicContact CD1-CB 4.18Å; F186-P213 HydrophobicContact CE1-CB 3.71Å; F186-P213 HydrophobicContact CE1-CG 4.35Å; F186-P213 HydrophobicContact CZ-CB 3.98Å; A211-P213 WeakPolarHBondContact O-CD 3.39Å; P213-F215 PolarHBondContact O-N 3.26Å
214	L	94.6	Very high	90.4	Very high	66 Å²	66	75.9 Å²	75.9	35%	0.346	40%	0.403	S	S	.	.	S	Bend	trans	-62.3	-36.1	167.3	-67.5	180	0	0	0	110.6	L173 I185 D187	L173-L214 HydrophobicContact CD2-CD1 3.54Å; I185-L214 WeakPolarHBondContact O-CB 2.85Å; I185-L214 PolarHBondContact O-N 2.84Å; D187-L214 HydrophobicContact CB-CD1 3.93Å; D187-L214 HydrophobicContact CB-CD2 4.19Å; D187-L214 HydrophobicContact CB-CG 4.08Å
215	F	96.3	Very high	90.6	Very high	47 Å²	47	76.6 Å²	76.6	21%	0.206	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	144.1	-179.2	-165.6	-84.6	0	0	0	110.2	E184 I185 P213 W249 W258 I260	E184-F215 WeakPolarHBondContact CA-O 3.49Å; I185-F215 HydrophobicContact CB-CB 4.49Å; I185-F215 PolarHBondContact N-O 3.29Å; I185-F215 PolarHBondContact O-N 3.4Å; P213-F215 PolarHBondContact O-N 3.26Å; F215-W249 HydrophobicContact CD1-CE3 4.34Å; F215-W249 HydrophobicContact CD1-CH2 4.43Å; F215-W249 AromaticContact CD1-CZ3 3.58Å; F215-W249 HydrophobicContact CD1-CZ3 3.58Å; F215-W249 HydrophobicContact CE1-CE3 4.23Å; F215-W249 HydrophobicContact CE1-CH2 4.45Å; F215-W249 AromaticContact CE1-CZ3 3.68Å; F215-W249 HydrophobicContact CE1-CZ3 3.68Å; F215-W258 HydrophobicContact CB-CE3 3.54Å; F215-W258 HydrophobicContact CB-CZ3 3.73Å; F215-W258 HydrophobicContact CD1-CB 4.33Å; F215-W258 HydrophobicContact CD1-CE3 4.23Å; F215-W258 AromaticContact CD2-CE3 3.99Å; F215-W258 HydrophobicContact CD2-CE3 3.99Å; F215-W258 HydrophobicContact CE1-CB 4.08Å; F215-W258 HydrophobicContact CE2-CB 4.46Å; F215-W258 AromaticContact CG-CE3 3.65Å; F215-W258 HydrophobicContact CG-CE3 3.65Å; F215-W258 HydrophobicContact CG-CZ3 4.34Å; F215-W258 HydrophobicContact CZ-CB 4.13Å; F215-W258 VanDerWaalsContact CZ-O 3.3Å; F215-W258 WeakPolarHBondContact CZ-O 3.45Å; F215-I260 HydrophobicContact CE1-CD1 3.49Å; F215-I260 VanDerWaalsContact CE1-CD1 3.49Å; F215-I260 HydrophobicContact CZ-CD1 3.71Å
216	S	96.1	Very high	91	Very high	52 Å²	52	72.8 Å²	72.8	36%	0.364	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145	-179.6	179.7	0	0	0	0	110	E184	E184-S216 PolarHBondContact OE1-OG 2.76Å
217	F	96.8	Very high	91.4	Very high	18 Å²	18	65.1 Å²	65.1	8%	0.079	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	121.1	179.2	176	-113.4	0	0	0	112.1	Q182 V183 H220 H247 W249 I260	Q182-F217 PolarHBondContact OE1-O 2.87Å; Q182-F217 VanDerWaalsContact OE1-O 3.08Å; V183-F217 PolarHBondContact N-O 3.23Å; V183-F217 PolarHBondContact O-N 3.32Å; F217-H220 AromaticContact CD1-CD2 3.75Å; F217-H220 AromaticContact CE1-CD2 3.58Å; F217-H220 AromaticContact CE1-NE2 3.88Å; F217-H247 HydrophobicContact CE1-CB 4.21Å; F217-H247 AromaticContact CE1-CG 3.8Å; F217-H247 AromaticContact CE1-ND1 3.63Å; F217-H247 AromaticContact CZ-CD2 3.96Å; F217-H247 AromaticContact CZ-CG 3.96Å; F217-W249 HydrophobicContact CB-CH2 3.06Å; F217-W249 HydrophobicContact CB-CZ2 3.34Å; F217-W249 HydrophobicContact CB-CZ3 3.95Å; F217-W249 HydrophobicContact CD1-CH2 4.17Å; F217-W249 AromaticContact CD1-CZ2 3.48Å; F217-W249 HydrophobicContact CD1-CZ2 3.48Å; F217-W249 VanDerWaalsContact CD1-CZ2 3.48Å; F217-W249 HydrophobicContact CE1-CZ2 4.46Å; F217-W249 AromaticContact CG-CH2 3.9Å; F217-W249 HydrophobicContact CG-CH2 3.9Å; F217-W249 AromaticContact CG-CZ2 3.65Å; F217-W249 HydrophobicContact CG-CZ2 3.65Å; F217-I260 HydrophobicContact CD2-CB 4.39Å; F217-I260 HydrophobicContact CD2-CD1 4.18Å; F217-I260 HydrophobicContact CD2-CG1 4.3Å; F217-I260 HydrophobicContact CD2-CG2 4.41Å; F217-I260 HydrophobicContact CE1-CG2 4.23Å; F217-I260 HydrophobicContact CE2-CB 4.13Å; F217-I260 HydrophobicContact CE2-CG2 3.84Å; F217-I260 HydrophobicContact CZ-CG2 3.72Å
218	S	95.6	Very high	92	Very high	88 Å²	88	60.9 Å²	60.9	62%	0.615	33%	0.328	S	S	*	.			trans	-105.7	17.9	-178.9	53.5	0	0	0	0	114.5	Q182	Q182-S218 VanDerWaalsContact NE2-CB 3.27Å; Q182-S218 VanDerWaalsContact OE1-N 3.1Å
219	G	94.6	Very high	93.3	Very high	34 Å²	34	54 Å²	54	35%	0.351	30%	0.296	S	S	.	.			trans	-85.1	-8.3	-176.4	0	0	0	0	0	115.3
220	H	96.5	Very high	94.3	Very high	16 Å²	16	47.4 Å²	47.4	7%	0.074	27%	0.268	C	S	.	.			trans	-68.7	149.5	173.3	-80.7	-71.3	0	0	0	111.8	W177 F217 S239 D241 H247	W177-H220 HydrophobicContact CH2-CB 4.32Å; W177-H220 AromaticContact CH2-CD2 3.3Å; W177-H220 WeakPolarHBondContact CH2-CD2 3.43Å; W177-H220 AromaticContact CH2-CE1 3.23Å; W177-H220 WeakPolarHBondContact CH2-CE1 3.27Å; W177-H220 AromaticContact CH2-CG 3.44Å; W177-H220 VanDerWaalsContact CH2-CG 3.44Å; W177-H220 AromaticContact CH2-ND1 3.43Å; W177-H220 WeakPolarHBondContact CH2-ND1 3.18Å; W177-H220 AromaticContact CH2-NE2 3.22Å; W177-H220 WeakPolarHBondContact CH2-NE2 3.46Å; W177-H220 HydrophobicContact CZ2-CB 4.39Å; W177-H220 AromaticContact CZ2-CG 3.98Å; W177-H220 AromaticContact CZ3-CD2 3.66Å; W177-H220 AromaticContact CZ3-CE1 3.67Å; W177-H220 AromaticContact CZ3-NE2 3.3Å; W177-H220 VanDerWaalsContact CZ3-NE2 3.3Å; W177-H220 WeakPolarHBondContact CZ3-NE2 3.26Å; F217-H220 AromaticContact CD1-CD2 3.75Å; F217-H220 AromaticContact CE1-CD2 3.58Å; F217-H220 AromaticContact CE1-NE2 3.88Å; H220-S239 PolarHBondContact CE1-O 3.34Å; H220-S239 PolarHBondContact NE2-OG 3.22Å; H220-D241 HydrophobicContact CB-CB 4.15Å; H220-D241 IonicContact CE1-OD2 3.07Å; H220-D241 IonicContact CG-OD2 3.51Å; H220-D241 WeakPolarHBondContact ND1-CB 3.48Å; H220-D241 IonicContact ND1-OD2 2.9Å; H220-D241 PolarHBondContact ND1-OD2 3.34Å; H220-H247 AromaticContact CD2-ND1 3.84Å; H220-H247 AromaticContact CE1-CE1 3.83Å; H220-H247 AromaticContact CE1-CG 3.95Å; H220-H247 AromaticContact CE1-ND1 2.94Å; H220-H247 PolarHBondContact CE1-ND1 3.07Å; H220-H247 AromaticContact CG-ND1 3.86Å; H220-H247 AromaticContact ND1-CE1 3.73Å; H220-H247 AromaticContact ND1-ND1 3.29Å; H220-H247 PolarHBondContact ND1-ND1 2.88Å; H220-H247 AromaticContact NE2-ND1 3.24Å; H220-H247 PolarHBondContact NE2-ND1 3.28Å
221	M	95.9	Very high	95.4	Very high	138 Å²	138	43.5 Å²	43.5	68%	0.68	26%	0.255	S	S	*	.	S	Bend	trans	-88.6	-9.5	-176.1	-68.6	-175.6	67.9	0	0	113.4	D241 R243 N245	M221-D241 PolarHBondContact N-OD2 3.28Å; M221-D241 VanDerWaalsContact N-OD2 3.07Å; M221-R243 HydrophobicContact CB-CB 3.8Å; M221-R243 HydrophobicContact CB-CG 3.96Å; M221-N245 WeakPolarHBondContact CG-ND2 3.49Å; M221-N245 PolarHBondContact SD-ND2 3.5Å
222	S	96.9	Very high	96.5	Very high	39 Å²	39	47.5 Å²	47.5	27%	0.273	27%	0.269	S	S	.	.	S	Bend	trans	-163	169.9	-179	-171.4	0	0	0	0	108	D241	S222-D241 WeakPolarHBondContact O-CB 3.39Å
223	E	97.7	Very high	96.9	Very high	71 Å²	71	43.4 Å²	43.4	33%	0.332	24%	0.244	S	C	.	.			trans	-59.1	-178.8	160.2	71.3	176.4	138.9	0	0	112.1	N161 D179 C242	N161-E223 PolarHBondContact ND2-OE2 3.08Å; D179-E223 WeakPolarHBondContact CA-OE2 3.39Å; D179-E223 WeakPolarHBondContact CB-OE2 3.3Å; E223-C242 WeakPolarHBondContact O-CB 3.22Å; E223-C242 PolarHBondContact O-N 2.94Å; E223-C242 PolarHBondContact O-SG 2.92Å
224	G	98.2	Very high	96.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	-175.8	-169.5	0	0	0	0	0	110.2	N161 W177	N161-G224 WeakPolarHBondContact CB-O 3.32Å; N161-G224 PolarHBondContact ND2-O 2.67Å; W177-G224 VanDerWaalsContact CD1-C 3.43Å; W177-G224 VanDerWaalsContact NE1-C 3.28Å; W177-G224 VanDerWaalsContact NE1-CA 3.29Å; W177-G224 PolarHBondContact NE1-O 2.82Å
225	F	98.3	Very high	97	Very high	58 Å²	58	42.2 Å²	42.2	25%	0.254	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	-29.3	179.6	-60.4	-85.9	0	0	0	111.4	L76 N161 R162 I227	L76-F225 HydrophobicContact CD2-CD1 4.3Å; L76-F225 HydrophobicContact CD2-CE1 3.86Å; N161-F225 HydrophobicContact CB-CD1 3.68Å; N161-F225 HydrophobicContact CB-CE1 3.81Å; R162-F225 WeakPolarHBondContact CB-O 3.49Å; R162-F225 WeakPolarHBondContact CD-O 3.5Å; R162-F225 VanDerWaalsContact CZ-O 3.27Å; R162-F225 PolarHBondContact NE-O 2.75Å; F225-I227 PolarHBondContact O-N 2.97Å
226	A	98.6	Very high	97	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	113.5	-169.3	0	0	0	0	0	112.7	S239 G240 V272 L275	A226-S239 CarbonylContact O-C 3.51Å; A226-S239 WeakPolarHBondContact O-CA 3.24Å; A226-G240 PolarHBondContact O-N 2.93Å; A226-V272 HydrophobicContact CB-CG1 3.97Å; A226-L275 HydrophobicContact CB-CB 4.11Å; A226-L275 HydrophobicContact CB-CD1 3.58Å; A226-L275 HydrophobicContact CB-CG 3.72Å
227	I	98.7	Very high	97.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	144	168.1	52.3	170.8	0	0	0	110.8	R162 R164 A175 W177 V183 F225 L237 V238	R162-I227 HydrophobicContact CB-CD1 4.01Å; R162-I227 HydrophobicContact CB-CG1 3.87Å; R162-I227 HydrophobicContact CG-CD1 3.97Å; R162-I227 HydrophobicContact CG-CG1 3.63Å; R162-I227 WeakPolarHBondContact O-CD1 3.43Å; R164-I227 HydrophobicContact CB-CD1 4.15Å; R164-I227 HydrophobicContact CB-CG1 4.46Å; R164-I227 HydrophobicContact CG-CD1 3.99Å; R164-I227 HydrophobicContact CG-CG1 3.86Å; A175-I227 HydrophobicContact CB-CD1 4.17Å; A175-I227 WeakPolarHBondContact O-CD1 3.5Å; W177-I227 HydrophobicContact CB-CD1 4.26Å; W177-I227 HydrophobicContact CB-CG2 3.89Å; W177-I227 HydrophobicContact CD2-CG2 4.15Å; W177-I227 HydrophobicContact CE3-CG2 3.39Å; W177-I227 HydrophobicContact CG-CG2 4.38Å; W177-I227 HydrophobicContact CZ3-CG2 4.3Å; V183-I227 HydrophobicContact CG1-CG2 4.48Å; F225-I227 PolarHBondContact O-N 2.97Å; I227-L237 HydrophobicContact CB-CD1 4.38Å; I227-V238 WeakPolarHBondContact CA-O 3.45Å
228	D	98.8	Very high	97.2	Very high	20 Å²	20	38 Å²	38	11%	0.107	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	143.3	170.7	-171.3	38.7	0	0	0	113.5	L237 V238 L275 Q276 W277	D228-L237 VanDerWaalsContact C-CD1 3.47Å; D228-L237 WeakPolarHBondContact O-CA 3.3Å; D228-L237 WeakPolarHBondContact O-CD1 3.43Å; D228-V238 HydrophobicContact CB-CG1 4.19Å; D228-V238 PolarHBondContact N-O 2.77Å; D228-V238 PolarHBondContact O-N 3.12Å; D228-L275 WeakPolarHBondContact CB-O 3.4Å; D228-Q276 WeakPolarHBondContact OD2-CA 3.46Å; D228-W277 VanDerWaalsContact O-CD1 3.31Å; D228-W277 PolarHBondContact O-NE1 3.25Å; D228-W277 PolarHBondContact OD2-N 3.1Å
229	W	98.6	Very high	97.4	Very high	14 Å²	14	33.9 Å²	33.9	5%	0.053	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	138.6	175.2	-69.2	109.4	0	0	0	110.6	R164 T166 L173 A175 I185 P231 G235 L237 W258 W277	R164-W229 PolarHBondContact O-NE1 2.71Å; T166-W229 HydrophobicContact CG2-CD2 3.48Å; T166-W229 VanDerWaalsContact CG2-CD2 3.48Å; T166-W229 VanDerWaalsContact CG2-CE2 3.5Å; T166-W229 HydrophobicContact CG2-CE3 3.78Å; T166-W229 HydrophobicContact CG2-CG 3.91Å; T166-W229 HydrophobicContact CG2-CH2 4.12Å; T166-W229 HydrophobicContact CG2-CZ2 3.82Å; T166-W229 HydrophobicContact CG2-CZ3 4.1Å; L173-W229 HydrophobicContact CB-CZ2 4.48Å; A175-W229 HydrophobicContact CB-CH2 4.41Å; A175-W229 HydrophobicContact CB-CZ2 3.46Å; A175-W229 VanDerWaalsContact CB-CZ2 3.46Å; I185-W229 HydrophobicContact CD1-CH2 3.88Å; I185-W229 HydrophobicContact CG1-CH2 4.12Å; I185-W229 HydrophobicContact CG1-CZ2 4.45Å; I185-W229 HydrophobicContact CG2-CH2 4.34Å; W229-P231 WeakPolarHBondContact O-CD 3.14Å; W229-G235 WeakPolarHBondContact CZ3-O 3.27Å; W229-L237 HydrophobicContact CD2-CB 4.33Å; W229-L237 HydrophobicContact CD2-CD1 3.86Å; W229-L237 HydrophobicContact CE3-CB 3.7Å; W229-L237 HydrophobicContact CE3-CD1 4.12Å; W229-L237 HydrophobicContact CE3-CG 4.45Å; W229-L237 HydrophobicContact CG-CD1 4.19Å; W229-L237 HydrophobicContact CH2-CB 4.34Å; W229-L237 HydrophobicContact CH2-CD2 4.48Å; W229-L237 HydrophobicContact CZ3-CB 3.69Å; W229-W258 HydrophobicContact CH2-CZ2 4.41Å; W229-W277 VanDerWaalsContact C-CD1 3.41Å
230	S	98.1	Very high	97.5	Very high	5 Å²	5	32.2 Å²	32.2	4%	0.035	17%	0.169	C	C	.	.			trans	-67.9	124.2	176.2	-175	0	0	0	0	110.6	K232 V233 R236 W277	S230-K232 PolarHBondContact O-N 2.8Å; S230-K232 PolarHBondContact OG-N 2.87Å; S230-V233 PolarHBondContact OG-N 2.98Å; S230-R236 PolarHBondContact N-O 2.97Å; S230-W277 VanDerWaalsContact N-CD1 3.3Å
231	P	96.4	Very high	97.6	Very high	71 Å²	71	31.5 Å²	31.5	46%	0.461	17%	0.165	S	C	.	.	S	Bend	trans	-74.6	-7.8	174	31.3	-35.3	0	0	0	112.5	W229	W229-P231 WeakPolarHBondContact O-CD 3.14Å
232	K	97.3	Very high	97.8	Very high	102 Å²	102	26.8 Å²	26.8	44%	0.443	15%	0.145	S	C	.	.	S	Bend	trans	-106.4	-29.2	-177.7	-66.4	-56.1	-171.4	-154.5	0	114	S230 P279 T280 A282	S230-K232 PolarHBondContact O-N 2.8Å; S230-K232 PolarHBondContact OG-N 2.87Å; K232-P279 WeakPolarHBondContact CE-O 3.3Å; K232-P279 PolarHBondContact NZ-O 3.38Å; K232-T280 WeakPolarHBondContact CE-O 3.33Å; K232-A282 HydrophobicContact CB-CB 3.69Å; K232-A282 HydrophobicContact CG-CB 4.29Å
233	V	96.4	Very high	97.8	Very high	34 Å²	34	32.3 Å²	32.3	21%	0.206	16%	0.16	C	C	.	.	S	Bend	trans	-122.9	101.5	-178.8	-175.7	0	0	0	0	108.2	S230 G235 R236 A282	S230-V233 PolarHBondContact OG-N 2.98Å; V233-G235 PolarHBondContact O-N 2.87Å; V233-R236 HydrophobicContact CB-CB 3.91Å; V233-R236 HydrophobicContact CG1-CB 3.95Å; V233-R236 WeakPolarHBondContact O-CB 3.48Å; V233-R236 PolarHBondContact O-N 3.41Å; V233-A282 HydrophobicContact CG2-CB 3.98Å
234	P	95.2	Very high	97.8	Very high	79 Å²	79	33.1 Å²	33.1	51%	0.513	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	129.6	-178.6	-27.7	35.1	0	0	0	111.7	Y168 R236 P251	Y168-P234 HydrophobicContact CD2-CB 3.73Å; Y168-P234 HydrophobicContact CE2-CB 4.06Å; Y168-P234 WeakPolarHBondContact CE2-O 3.37Å; P234-R236 VanDerWaalsContact C-N 3.28Å; P234-R236 PolarHBondContact O-N 2.91Å; P234-P251 WeakPolarHBondContact O-CG 3.31Å
235	G	95.6	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-0.1	179.7	0	0	0	0	0	115.5	W229 V233 W258	W229-G235 WeakPolarHBondContact CZ3-O 3.27Å; V233-G235 PolarHBondContact O-N 2.87Å; G235-W258 PolarHBondContact O-NE1 2.91Å
236	R	97.6	Very high	97.7	Very high	30 Å²	30	31 Å²	31	11%	0.113	15%	0.154	C	C	.	.			trans	-78.5	131.7	169.2	175.8	179.7	-64.9	175.7	-4.8	110	S230 V233 P234 W249 E250 W277 A282	S230-R236 PolarHBondContact N-O 2.97Å; V233-R236 HydrophobicContact CB-CB 3.91Å; V233-R236 HydrophobicContact CG1-CB 3.95Å; V233-R236 WeakPolarHBondContact O-CB 3.48Å; V233-R236 PolarHBondContact O-N 3.41Å; P234-R236 VanDerWaalsContact C-N 3.28Å; P234-R236 PolarHBondContact O-N 2.91Å; R236-W249 WeakPolarHBondContact CA-O 3.48Å; R236-E250 IonicContact CZ-OE1 3.03Å; R236-E250 IonicContact CZ-OE2 2.89Å; R236-E250 VanDerWaalsContact CZ-OE2 3.26Å; R236-E250 IonicContact NE-OE1 2.84Å; R236-E250 PolarHBondContact NE-OE1 2.81Å; R236-E250 IonicContact NE-OE2 3.56Å; R236-E250 PolarHBondContact NE-OE2 2.83Å; R236-E250 IonicContact NH2-OE1 3.97Å; R236-E250 PolarHBondContact NH2-OE1 3.24Å; R236-E250 IonicContact NH2-OE2 3.77Å; R236-E250 PolarHBondContact NH2-OE2 2.93Å; R236-W277 HydrophobicContact CG-CH2 4.19Å; R236-W277 HydrophobicContact CG-CZ2 3.71Å; R236-A282 PolarHBondContact NH1-O 3.12Å
237	L	98.3	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	152.5	-179.4	176.7	73.4	0	0	0	110.1	A175 V183 I227 D228 W229 W249	A175-L237 HydrophobicContact CB-CD1 4Å; A175-L237 HydrophobicContact CB-CD2 3.93Å; V183-L237 HydrophobicContact CG1-CD2 4.13Å; I227-L237 HydrophobicContact CB-CD1 4.38Å; D228-L237 VanDerWaalsContact C-CD1 3.47Å; D228-L237 WeakPolarHBondContact O-CA 3.3Å; D228-L237 WeakPolarHBondContact O-CD1 3.43Å; W229-L237 HydrophobicContact CD2-CB 4.33Å; W229-L237 HydrophobicContact CD2-CD1 3.86Å; W229-L237 HydrophobicContact CE3-CB 3.7Å; W229-L237 HydrophobicContact CE3-CD1 4.12Å; W229-L237 HydrophobicContact CE3-CG 4.45Å; W229-L237 HydrophobicContact CG-CD1 4.19Å; W229-L237 HydrophobicContact CH2-CB 4.34Å; W229-L237 HydrophobicContact CH2-CD2 4.48Å; W229-L237 HydrophobicContact CZ3-CB 3.69Å; L237-W249 HydrophobicContact CB-CB 3.85Å; L237-W249 HydrophobicContact CB-CG 4.14Å; L237-W249 HydrophobicContact CD2-CD2 4.13Å; L237-W249 HydrophobicContact CD2-CE3 4.44Å; L237-W249 HydrophobicContact CD2-CG 4.24Å; L237-W249 HydrophobicContact CG-CG 4.43Å; L237-W249 PolarHBondContact N-O 2.91Å; L237-W249 VanDerWaalsContact N-O 3.1Å; L237-W249 WeakPolarHBondContact O-CB 3.12Å; L237-W249 PolarHBondContact O-N 3.15Å
238	V	98.5	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.6	164.7	70.2	0	0	0	0	109.2	I227 D228 I246 H247 V248 L275 W277 F285	I227-V238 WeakPolarHBondContact CA-O 3.45Å; D228-V238 HydrophobicContact CB-CG1 4.19Å; D228-V238 PolarHBondContact N-O 2.77Å; D228-V238 PolarHBondContact O-N 3.12Å; V238-I246 HydrophobicContact CG2-CG2 3.35Å; V238-H247 WeakPolarHBondContact CA-O 3.37Å; V238-V248 HydrophobicContact CG2-CG2 4.17Å; V238-L275 HydrophobicContact CG1-CB 3.88Å; V238-L275 HydrophobicContact CG1-CD1 4.08Å; V238-L275 HydrophobicContact CG1-CD2 4.34Å; V238-L275 HydrophobicContact CG1-CG 4.34Å; V238-L275 HydrophobicContact CG2-CD1 4.03Å; V238-L275 HydrophobicContact CG2-CD2 4.19Å; V238-W277 HydrophobicContact CB-CZ2 3.87Å; V238-W277 HydrophobicContact CG1-CZ2 4.48Å; V238-F285 HydrophobicContact CG2-CD2 4.24Å; V238-F285 HydrophobicContact CG2-CE1 4.42Å; V238-F285 HydrophobicContact CG2-CE2 4.06Å; V238-F285 HydrophobicContact CG2-CZ 4.16Å
239	S	98.7	Very high	97.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	134.8	-172.8	80.8	0	0	0	0	110.4	H220 A226 I246 H247 W249	H220-S239 PolarHBondContact CE1-O 3.34Å; H220-S239 PolarHBondContact NE2-OG 3.22Å; A226-S239 CarbonylContact O-C 3.51Å; A226-S239 WeakPolarHBondContact O-CA 3.24Å; S239-I246 CarbonylContact O-C 3.54Å; S239-I246 VanDerWaalsContact O-CA 3.26Å; S239-I246 WeakPolarHBondContact O-CA 3.39Å; S239-H247 PolarHBondContact N-O 2.88Å; S239-H247 PolarHBondContact O-N 3.39Å; S239-W249 PolarHBondContact OG-NE1 3.13Å
240	G	98.3	Very high	97.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.3	-172.7	0	0	0	0	0	114.3	W177 A226 N245	W177-G240 WeakPolarHBondContact CH2-O 3.33Å; W177-G240 WeakPolarHBondContact CZ2-O 3.15Å; W177-G240 WeakPolarHBondContact CZ3-O 2.99Å; A226-G240 PolarHBondContact O-N 2.93Å; G240-N245 VanDerWaalsContact CA-O 3.3Å; G240-N245 WeakPolarHBondContact CA-O 3.25Å
241	D	98.4	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	167.8	-176.2	65.5	34.9	0	0	0	115.4	W177 H220 M221 S222 R243 K244 N245 V272	W177-D241 HydrophobicContact CH2-CB 3.83Å; W177-D241 HydrophobicContact CZ2-CB 3.76Å; H220-D241 HydrophobicContact CB-CB 4.15Å; H220-D241 IonicContact CE1-OD2 3.07Å; H220-D241 IonicContact CG-OD2 3.51Å; H220-D241 WeakPolarHBondContact ND1-CB 3.48Å; H220-D241 IonicContact ND1-OD2 2.9Å; H220-D241 PolarHBondContact ND1-OD2 3.34Å; M221-D241 PolarHBondContact N-OD2 3.28Å; M221-D241 VanDerWaalsContact N-OD2 3.07Å; S222-D241 WeakPolarHBondContact O-CB 3.39Å; D241-R243 PolarHBondContact O-N 3.3Å; D241-R243 WeakPolarHBondContact OD1-CA 3.03Å; D241-R243 WeakPolarHBondContact OD1-CB 3.32Å; D241-R243 PolarHBondContact OD1-N 2.86Å; D241-K244 PolarHBondContact O-N 3.46Å; D241-K244 VanDerWaalsContact O-N 3.17Å; D241-K244 PolarHBondContact OD1-N 3.03Å; D241-N245 PolarHBondContact N-O 2.93Å; D241-N245 PolarHBondContact OD1-N 2.83Å; D241-N245 WeakPolarHBondContact OD2-CB 3.28Å; D241-N245 PolarHBondContact OD2-ND2 2.83Å; D241-V272 PolarHBondContact O-N 3.21Å
242	C	98.4	Very high	97.2	Very high	39 Å²	39	36.4 Å²	36.4	26%	0.264	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-3.9	174.5	-62.8	0	0	0	0	114.3	E223 S271	E223-C242 WeakPolarHBondContact O-CB 3.22Å; E223-C242 PolarHBondContact O-N 2.94Å; E223-C242 PolarHBondContact O-SG 2.92Å; C242-S271 VanDerWaalsContact CA-OG 3.28Å; C242-S271 WeakPolarHBondContact CA-OG 3.39Å
243	R	97.8	Very high	96.5	Very high	156 Å²	156	41 Å²	41	59%	0.589	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.6	37.9	177	-67.3	-68.6	-168.6	174.7	0.1	110.3	M221 D241 N245	M221-R243 HydrophobicContact CB-CB 3.8Å; M221-R243 HydrophobicContact CB-CG 3.96Å; D241-R243 PolarHBondContact O-N 3.3Å; D241-R243 WeakPolarHBondContact OD1-CA 3.03Å; D241-R243 WeakPolarHBondContact OD1-CB 3.32Å; D241-R243 PolarHBondContact OD1-N 2.86Å; R243-N245 PolarHBondContact O-N 3.24Å; R243-N245 PolarHBondContact O-ND2 3.25Å
244	K	97.1	Very high	95.5	Very high	87 Å²	87	43.3 Å²	43.3	38%	0.378	23%	0.225	S	C	.	.	S	Bend	trans	61.5	1.7	171	62.6	167.8	172.6	-169.4	0	116.1	D241 H268 Q270	D241-K244 PolarHBondContact O-N 3.46Å; D241-K244 VanDerWaalsContact O-N 3.17Å; D241-K244 PolarHBondContact OD1-N 3.03Å; K244-H268 HydrophobicContact CB-CB 4.13Å; K244-H268 WeakPolarHBondContact CD-O 3.32Å; K244-Q270 WeakPolarHBondContact CA-O 3.38Å; K244-Q270 WeakPolarHBondContact CB-O 3.36Å
245	N	97.2	Very high	94.6	Very high	13 Å²	13	39.9 Å²	39.9	7%	0.07	20%	0.204	C	C	.	.			trans	-89.6	132.4	-173.3	-58.8	-53.3	0	0	0	110.2	M221 G240 D241 R243 P264	M221-N245 WeakPolarHBondContact CG-ND2 3.49Å; M221-N245 PolarHBondContact SD-ND2 3.5Å; G240-N245 VanDerWaalsContact CA-O 3.3Å; G240-N245 WeakPolarHBondContact CA-O 3.25Å; D241-N245 PolarHBondContact N-O 2.93Å; D241-N245 PolarHBondContact OD1-N 2.83Å; D241-N245 WeakPolarHBondContact OD2-CB 3.28Å; D241-N245 PolarHBondContact OD2-ND2 2.83Å; R243-N245 PolarHBondContact O-N 3.24Å; R243-N245 PolarHBondContact O-ND2 3.25Å; N245-P264 HydrophobicContact CB-CB 3.62Å; N245-P264 HydrophobicContact CB-CG 4.01Å; N245-P264 WeakPolarHBondContact OD1-CG 3.37Å
246	I	98.4	Very high	94	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.5	172.7	-57.4	158.9	0	0	0	108.7	V238 S239 P264 F265 V272 L275 F285 W297	V238-I246 HydrophobicContact CG2-CG2 3.35Å; S239-I246 CarbonylContact O-C 3.54Å; S239-I246 VanDerWaalsContact O-CA 3.26Å; S239-I246 WeakPolarHBondContact O-CA 3.39Å; I246-P264 VanDerWaalsContact O-CA 3.31Å; I246-P264 WeakPolarHBondContact O-CA 3.3Å; I246-F265 HydrophobicContact CB-CB 4.14Å; I246-F265 PolarHBondContact N-O 3.09Å; I246-F265 PolarHBondContact O-N 2.89Å; I246-V272 HydrophobicContact CD1-CG1 4.21Å; I246-V272 HydrophobicContact CD1-CG2 4.02Å; I246-V272 HydrophobicContact CG1-CB 4.45Å; I246-V272 HydrophobicContact CG1-CG1 4.17Å; I246-V272 HydrophobicContact CG1-CG2 3.89Å; I246-L275 HydrophobicContact CD1-CD2 4.05Å; I246-L275 HydrophobicContact CG1-CD1 4.48Å; I246-L275 HydrophobicContact CG1-CD2 4.33Å; I246-L275 HydrophobicContact CG2-CD1 4.03Å; I246-L275 HydrophobicContact CG2-CD2 4.03Å; I246-F285 HydrophobicContact CD1-CE2 4.33Å; I246-F285 HydrophobicContact CG2-CE2 3.93Å; I246-F285 HydrophobicContact CG2-CZ 4.01Å; I246-W297 HydrophobicContact CD1-CH2 4.46Å; I246-W297 HydrophobicContact CD1-CZ2 3.84Å
247	H	97.9	Very high	93.7	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.037	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.1	177.1	-66.3	104.1	0	0	0	110.5	F217 H220 V238 S239 I260 D261	F217-H247 HydrophobicContact CE1-CB 4.21Å; F217-H247 AromaticContact CE1-CG 3.8Å; F217-H247 AromaticContact CE1-ND1 3.63Å; F217-H247 AromaticContact CZ-CD2 3.96Å; F217-H247 AromaticContact CZ-CG 3.96Å; H220-H247 AromaticContact CD2-ND1 3.84Å; H220-H247 AromaticContact CE1-CE1 3.83Å; H220-H247 AromaticContact CE1-CG 3.95Å; H220-H247 AromaticContact CE1-ND1 2.94Å; H220-H247 PolarHBondContact CE1-ND1 3.07Å; H220-H247 AromaticContact CG-ND1 3.86Å; H220-H247 AromaticContact ND1-CE1 3.73Å; H220-H247 AromaticContact ND1-ND1 3.29Å; H220-H247 PolarHBondContact ND1-ND1 2.88Å; H220-H247 AromaticContact NE2-ND1 3.24Å; H220-H247 PolarHBondContact NE2-ND1 3.28Å; V238-H247 WeakPolarHBondContact CA-O 3.37Å; S239-H247 PolarHBondContact N-O 2.88Å; S239-H247 PolarHBondContact O-N 3.39Å; H247-I260 HydrophobicContact CB-CG2 3.84Å; H247-D261 PolarHBondContact CD2-O 3.45Å
248	V	97.6	Very high	93.6	Very high	15 Å²	15	43.5 Å²	43.5	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.3	175.3	175.9	0	0	0	0	108.7	V238 F265 W277 F285 I299	V238-V248 HydrophobicContact CG2-CG2 4.17Å; V248-F265 HydrophobicContact CG2-CD2 4.28Å; V248-F265 HydrophobicContact CG2-CE2 3.6Å; V248-F265 HydrophobicContact CG2-CZ 4.35Å; V248-W277 HydrophobicContact CG1-CH2 4.29Å; V248-W277 HydrophobicContact CG1-CZ2 4.27Å; V248-F285 HydrophobicContact CG2-CE1 4.22Å; V248-I299 HydrophobicContact CG1-CG2 4.33Å; V248-I299 HydrophobicContact CG2-CG2 3.79Å
249	W	97.5	Very high	93.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	115.6	-174.3	-62.2	62.4	0	0	0	108.9	V183 I185 F215 F217 R236 L237 S239 W258 I260	V183-W249 HydrophobicContact CB-CH2 3.75Å; V183-W249 HydrophobicContact CB-CZ2 3.57Å; V183-W249 HydrophobicContact CG1-CH2 3.86Å; V183-W249 HydrophobicContact CG1-CZ2 3.74Å; V183-W249 HydrophobicContact CG2-CZ2 4.21Å; I185-W249 HydrophobicContact CD1-CE3 4.16Å; I185-W249 HydrophobicContact CD1-CZ3 4.02Å; F215-W249 HydrophobicContact CD1-CE3 4.34Å; F215-W249 HydrophobicContact CD1-CH2 4.43Å; F215-W249 AromaticContact CD1-CZ3 3.58Å; F215-W249 HydrophobicContact CD1-CZ3 3.58Å; F215-W249 HydrophobicContact CE1-CE3 4.23Å; F215-W249 HydrophobicContact CE1-CH2 4.45Å; F215-W249 AromaticContact CE1-CZ3 3.68Å; F215-W249 HydrophobicContact CE1-CZ3 3.68Å; F217-W249 HydrophobicContact CB-CH2 3.06Å; F217-W249 HydrophobicContact CB-CZ2 3.34Å; F217-W249 HydrophobicContact CB-CZ3 3.95Å; F217-W249 HydrophobicContact CD1-CH2 4.17Å; F217-W249 AromaticContact CD1-CZ2 3.48Å; F217-W249 HydrophobicContact CD1-CZ2 3.48Å; F217-W249 VanDerWaalsContact CD1-CZ2 3.48Å; F217-W249 HydrophobicContact CE1-CZ2 4.46Å; F217-W249 AromaticContact CG-CH2 3.9Å; F217-W249 HydrophobicContact CG-CH2 3.9Å; F217-W249 AromaticContact CG-CZ2 3.65Å; F217-W249 HydrophobicContact CG-CZ2 3.65Å; R236-W249 WeakPolarHBondContact CA-O 3.48Å; L237-W249 HydrophobicContact CB-CB 3.85Å; L237-W249 HydrophobicContact CB-CG 4.14Å; L237-W249 HydrophobicContact CD2-CD2 4.13Å; L237-W249 HydrophobicContact CD2-CE3 4.44Å; L237-W249 HydrophobicContact CD2-CG 4.24Å; L237-W249 HydrophobicContact CG-CG 4.43Å; L237-W249 PolarHBondContact N-O 2.91Å; L237-W249 VanDerWaalsContact N-O 3.1Å; L237-W249 WeakPolarHBondContact O-CB 3.12Å; L237-W249 PolarHBondContact O-N 3.15Å; S239-W249 PolarHBondContact OG-NE1 3.13Å; W249-W258 HydrophobicContact CE3-CB 3.83Å; W249-W258 HydrophobicContact CE3-CG 4.04Å; W249-I260 HydrophobicContact CB-CG1 4.41Å; W249-I260 HydrophobicContact CD2-CD1 4.05Å; W249-I260 HydrophobicContact CD2-CG1 3.51Å; W249-I260 HydrophobicContact CE3-CD1 3.76Å; W249-I260 HydrophobicContact CE3-CG1 3.78Å; W249-I260 HydrophobicContact CG-CG1 3.83Å; W249-I260 HydrophobicContact CZ2-CG1 4.45Å; W249-I260 HydrophobicContact CZ3-CD1 4.09Å; W249-I260 HydrophobicContact CZ3-CG1 4.41Å
250	E	96.5	Very high	93.4	Very high	56 Å²	56	49.3 Å²	49.3	26%	0.262	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.3	176.9	-66.4	-70	-177.4	0	0	109.6	R236 W258 Q259	R236-E250 IonicContact CZ-OE1 3.03Å; R236-E250 IonicContact CZ-OE2 2.89Å; R236-E250 VanDerWaalsContact CZ-OE2 3.26Å; R236-E250 IonicContact NE-OE1 2.84Å; R236-E250 PolarHBondContact NE-OE1 2.81Å; R236-E250 IonicContact NE-OE2 3.56Å; R236-E250 PolarHBondContact NE-OE2 2.83Å; R236-E250 IonicContact NH2-OE1 3.97Å; R236-E250 PolarHBondContact NH2-OE1 3.24Å; R236-E250 IonicContact NH2-OE2 3.77Å; R236-E250 PolarHBondContact NH2-OE2 2.93Å; E250-W258 CarbonylContact O-C 3.6Å; E250-W258 WeakPolarHBondContact O-CA 3.06Å; E250-Q259 HydrophobicContact CB-CB 4.44Å; E250-Q259 PolarHBondContact N-O 3.2Å; E250-Q259 PolarHBondContact O-N 3.14Å
251	P	95	Very high	92.8	Very high	30 Å²	30	54.3 Å²	54.3	20%	0.195	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.1	177.9	29	-34	0	0	0	109.9	P234	P234-P251 WeakPolarHBondContact O-CG 3.31Å
252	R	93.2	Very high	92.1	Very high	115 Å²	115	61.5 Å²	61.5	43%	0.434	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-88.5	160.6	172.1	-62.3	-169.5	175.9	-74.8	2.7	111	G254 G255 S257 Q259	R252-G254 PolarHBondContact O-N 3.18Å; R252-G255 PolarHBondContact O-N 3.48Å; R252-G255 VanDerWaalsContact O-N 3.14Å; R252-S257 WeakPolarHBondContact CB-OG 3.34Å; R252-S257 PolarHBondContact N-O 2.84Å; R252-Q259 HydrophobicContact CG-CB 4.38Å; R252-Q259 VanDerWaalsContact CZ-OE1 3.32Å
253	E	83	Confident	91.7	Very high	199 Å²	199	67.2 Å²	67.2	93%	0.93	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	137.1	169.7	-68.2	-175	175	0	0	110.9
254	G	76.3	Confident	91.6	Very high	82 Å²	82	61 Å²	61	85%	0.845	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-9.8	-176.2	0	0	0	0	0	114.9	R252 A256	R252-G254 PolarHBondContact O-N 3.18Å; G254-A256 VanDerWaalsContact C-N 3.29Å; G254-A256 PolarHBondContact O-N 3.3Å; G254-A256 VanDerWaalsContact O-N 3.14Å
255	G	75	Confident	91.6	Very high	8 Å²	8	57.7 Å²	57.7	8%	0.082	31%	0.306	C	S	.	.	S	Bend	trans	70.2	11.1	159.5	0	0	0	0	0	118.6	R252	R252-G255 PolarHBondContact O-N 3.48Å; R252-G255 VanDerWaalsContact O-N 3.14Å
256	A	82.5	Confident	91.5	Very high	58 Å²	58	59.7 Å²	59.7	48%	0.479	32%	0.321	S	S	.	.	S	Bend	trans	-118.1	14.2	176.1	0	0	0	0	0	112.8	G254	G254-A256 VanDerWaalsContact C-N 3.29Å; G254-A256 PolarHBondContact O-N 3.3Å; G254-A256 VanDerWaalsContact O-N 3.14Å
257	S	92	Very high	91.3	Very high	41 Å²	41	61.1 Å²	61.1	29%	0.287	33%	0.331	S	S	.	.			trans	-151.5	152.2	177.1	66	0	0	0	0	112.2	R252	R252-S257 WeakPolarHBondContact CB-OG 3.34Å; R252-S257 PolarHBondContact N-O 2.84Å
258	W	96.6	Very high	91.3	Very high	7 Å²	7	60.9 Å²	60.9	3%	0.027	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.8	-178.5	-73.8	-103	0	0	0	111.1	L173 I185 F215 W229 G235 W249 E250 I260	L173-W258 HydrophobicContact CD1-CH2 4.01Å; L173-W258 HydrophobicContact CD1-CZ2 3.99Å; I185-W258 HydrophobicContact CB-CH2 4.49Å; I185-W258 HydrophobicContact CB-CZ3 4.49Å; I185-W258 HydrophobicContact CD1-CD2 3.49Å; I185-W258 VanDerWaalsContact CD1-CD2 3.49Å; I185-W258 VanDerWaalsContact CD1-CE2 3.46Å; I185-W258 HydrophobicContact CD1-CE3 3.67Å; I185-W258 HydrophobicContact CD1-CG 4.12Å; I185-W258 HydrophobicContact CD1-CH2 3.91Å; I185-W258 HydrophobicContact CD1-CZ2 3.7Å; I185-W258 HydrophobicContact CD1-CZ3 3.89Å; I185-W258 HydrophobicContact CG2-CH2 3.83Å; I185-W258 HydrophobicContact CG2-CZ2 4.25Å; I185-W258 HydrophobicContact CG2-CZ3 4.28Å; F215-W258 HydrophobicContact CB-CE3 3.54Å; F215-W258 HydrophobicContact CB-CZ3 3.73Å; F215-W258 HydrophobicContact CD1-CB 4.33Å; F215-W258 HydrophobicContact CD1-CE3 4.23Å; F215-W258 AromaticContact CD2-CE3 3.99Å; F215-W258 HydrophobicContact CD2-CE3 3.99Å; F215-W258 HydrophobicContact CE1-CB 4.08Å; F215-W258 HydrophobicContact CE2-CB 4.46Å; F215-W258 AromaticContact CG-CE3 3.65Å; F215-W258 HydrophobicContact CG-CE3 3.65Å; F215-W258 HydrophobicContact CG-CZ3 4.34Å; F215-W258 HydrophobicContact CZ-CB 4.13Å; F215-W258 VanDerWaalsContact CZ-O 3.3Å; F215-W258 WeakPolarHBondContact CZ-O 3.45Å; W229-W258 HydrophobicContact CH2-CZ2 4.41Å; G235-W258 PolarHBondContact O-NE1 2.91Å; W249-W258 HydrophobicContact CE3-CB 3.83Å; W249-W258 HydrophobicContact CE3-CG 4.04Å; E250-W258 CarbonylContact O-C 3.6Å; E250-W258 WeakPolarHBondContact O-CA 3.06Å; W258-I260 HydrophobicContact CB-CD1 4.13Å
259	Q	96.1	Very high	91.3	Very high	100 Å²	100	64.2 Å²	64.2	47%	0.467	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.3	166.9	-179.3	167.7	-17.1	0	0	108.5	E250 R252	E250-Q259 HydrophobicContact CB-CB 4.44Å; E250-Q259 PolarHBondContact N-O 3.2Å; E250-Q259 PolarHBondContact O-N 3.14Å; R252-Q259 HydrophobicContact CG-CB 4.38Å; R252-Q259 VanDerWaalsContact CZ-OE1 3.32Å
260	I	95.9	Very high	91.3	Very high	22 Å²	22	68.9 Å²	68.9	11%	0.113	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.1	174.9	-56.1	93.7	0	0	0	108.2	F215 F217 H247 W249 W258	F215-I260 HydrophobicContact CE1-CD1 3.49Å; F215-I260 VanDerWaalsContact CE1-CD1 3.49Å; F215-I260 HydrophobicContact CZ-CD1 3.71Å; F217-I260 HydrophobicContact CD2-CB 4.39Å; F217-I260 HydrophobicContact CD2-CD1 4.18Å; F217-I260 HydrophobicContact CD2-CG1 4.3Å; F217-I260 HydrophobicContact CD2-CG2 4.41Å; F217-I260 HydrophobicContact CE1-CG2 4.23Å; F217-I260 HydrophobicContact CE2-CB 4.13Å; F217-I260 HydrophobicContact CE2-CG2 3.84Å; F217-I260 HydrophobicContact CZ-CG2 3.72Å; H247-I260 HydrophobicContact CB-CG2 3.84Å; W249-I260 HydrophobicContact CB-CG1 4.41Å; W249-I260 HydrophobicContact CD2-CD1 4.05Å; W249-I260 HydrophobicContact CD2-CG1 3.51Å; W249-I260 HydrophobicContact CE3-CD1 3.76Å; W249-I260 HydrophobicContact CE3-CG1 3.78Å; W249-I260 HydrophobicContact CG-CG1 3.83Å; W249-I260 HydrophobicContact CZ2-CG1 4.45Å; W249-I260 HydrophobicContact CZ3-CD1 4.09Å; W249-I260 HydrophobicContact CZ3-CG1 4.41Å; W258-I260 HydrophobicContact CB-CD1 4.13Å
261	D	86.4	Confident	91.4	Very high	105 Å²	105	66.9 Å²	66.9	56%	0.561	37%	0.368	S	S	*	.			trans	-69.2	131.1	171.2	-164.8	-25.8	0	0	0	109.3	H247 R263	H247-D261 PolarHBondContact CD2-O 3.45Å; D261-R263 PolarHBondContact O-N 2.77Å; D261-R263 PolarHBondContact OD1-N 2.82Å
262	Q	83.8	Confident	91.6	Very high	150 Å²	150	65.5 Å²	65.5	70%	0.701	36%	0.359	S	S	*	.	S	Bend	trans	-72.7	-13.8	178.3	-62.6	-62.8	-52.9	0	0	112.5	P264	Q262-P264 VanDerWaalsContact O-CD 3.28Å; Q262-P264 WeakPolarHBondContact O-CD 3.44Å
263	R	90.9	Very high	91.9	Very high	160 Å²	160	61.4 Å²	61.4	60%	0.604	34%	0.344	S	S	*	.	S	Bend	trans	-95.4	105.9	175	-173.8	176.8	179.2	-175.9	-1.4	109.7	D261 P303	D261-R263 PolarHBondContact O-N 2.77Å; D261-R263 PolarHBondContact OD1-N 2.82Å; R263-P303 HydrophobicContact CG-CG 4.1Å
264	P	95	Very high	92.6	Very high	25 Å²	25	52.2 Å²	52.2	16%	0.162	30%	0.302	C	S	.	.			trans	-71.7	154.9	178.1	28.1	-34.1	0	0	0	112.2	N245 I246 Q262	N245-P264 HydrophobicContact CB-CB 3.62Å; N245-P264 HydrophobicContact CB-CG 4.01Å; N245-P264 WeakPolarHBondContact OD1-CG 3.37Å; I246-P264 VanDerWaalsContact O-CA 3.31Å; I246-P264 WeakPolarHBondContact O-CA 3.3Å; Q262-P264 VanDerWaalsContact O-CD 3.28Å; Q262-P264 WeakPolarHBondContact O-CD 3.44Å
265	F	96.7	Very high	93.7	Very high	18 Å²	18	48.3 Å²	48.3	8%	0.079	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-70.4	128.8	157.8	-56.7	-106.4	0	0	0	107.9	I246 V248 F285 W297 I299 P303	I246-F265 HydrophobicContact CB-CB 4.14Å; I246-F265 PolarHBondContact N-O 3.09Å; I246-F265 PolarHBondContact O-N 2.89Å; V248-F265 HydrophobicContact CG2-CD2 4.28Å; V248-F265 HydrophobicContact CG2-CE2 3.6Å; V248-F265 HydrophobicContact CG2-CZ 4.35Å; F265-F285 HydrophobicContact CD2-CZ 4.45Å; F265-F285 HydrophobicContact CG-CZ 4.44Å; F265-W297 HydrophobicContact CB-CE3 4.03Å; F265-W297 HydrophobicContact CB-CH2 4.33Å; F265-W297 HydrophobicContact CB-CZ3 3.81Å; F265-W297 HydrophobicContact CD1-CD2 4.45Å; F265-W297 AromaticContact CD1-CE3 3.64Å; F265-W297 HydrophobicContact CD1-CE3 3.64Å; F265-W297 HydrophobicContact CD1-CZ3 4.11Å; F265-W297 HydrophobicContact CG-CE3 4.23Å; F265-W297 HydrophobicContact CG-CZ3 4.45Å; F265-I299 HydrophobicContact CZ-CB 4.4Å; F265-I299 HydrophobicContact CZ-CG2 4.02Å; F265-P303 HydrophobicContact CB-CB 4.38Å; F265-P303 HydrophobicContact CD1-CB 3.68Å; F265-P303 HydrophobicContact CD2-CB 4.44Å; F265-P303 HydrophobicContact CE1-CB 4Å; F265-P303 HydrophobicContact CG-CB 3.91Å; F265-P303 HydrophobicContact CZ-CB 4.46Å
266	S	94.6	Very high	94.8	Very high	55 Å²	55	49.6 Å²	49.6	39%	0.385	27%	0.265	S	S	.	.			trans	-146.3	31.2	-167.2	49.8	0	0	0	0	112.9
267	S	94.9	Very high	95.6	Very high	30 Å²	30	47 Å²	47	21%	0.21	24%	0.243	C	C	.	.			trans	-77.9	-22.7	179	-46.8	0	0	0	0	113.8	R295 W297 N304 S305	S267-R295 VanDerWaalsContact C-CZ 3.46Å; S267-R295 PolarHBondContact O-NH1 3.07Å; S267-R295 VanDerWaalsContact O-NH1 3.09Å; S267-R295 PolarHBondContact O-NH2 3.15Å; S267-W297 WeakPolarHBondContact OG-CZ3 3.34Å; S267-N304 WeakPolarHBondContact OG-CA 3.39Å; S267-S305 PolarHBondContact OG-N 2.76Å
268	H	97.7	Very high	95.9	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.014	23%	0.23	C	C	.	.			trans	-62.1	151.5	167.6	-81.5	-63.8	0	0	0	111	K244 V272 S287 S289 D291 S293 R295 W297	K244-H268 HydrophobicContact CB-CB 4.13Å; K244-H268 WeakPolarHBondContact CD-O 3.32Å; H268-V272 HydrophobicContact CB-CG2 4.43Å; H268-S287 PolarHBondContact CD2-OG 2.88Å; H268-S287 PolarHBondContact NE2-OG 2.88Å; H268-S289 WeakPolarHBondContact CE1-CB 3.49Å; H268-S289 WeakPolarHBondContact ND1-CB 3.38Å; H268-D291 VanDerWaalsContact CA-OD2 3.22Å; H268-D291 WeakPolarHBondContact CA-OD2 3.36Å; H268-D291 WeakPolarHBondContact CB-OD2 3.26Å; H268-D291 IonicContact CE1-OD1 3.67Å; H268-D291 IonicContact CG-OD2 3.54Å; H268-D291 VanDerWaalsContact ND1-CG 3.33Å; H268-D291 IonicContact ND1-OD1 3.1Å; H268-D291 PolarHBondContact ND1-OD1 2.77Å; H268-D291 VanDerWaalsContact ND1-OD1 3.1Å; H268-D291 IonicContact ND1-OD2 2.88Å; H268-D291 PolarHBondContact ND1-OD2 3.5Å; H268-S293 PolarHBondContact CE1-OG 2.62Å; H268-S293 PolarHBondContact ND1-OG 3.11Å; H268-R295 VanDerWaalsContact CE1-CD 3.46Å; H268-R295 WeakPolarHBondContact CE1-CD 3.43Å; H268-R295 PolarHBondContact ND1-NE 3.3Å; H268-W297 AromaticContact CD2-CZ2 3.74Å; H268-W297 AromaticContact NE2-CZ2 3.98Å
269	S	97.6	Very high	95.8	Very high	85 Å²	85	45.7 Å²	45.7	59%	0.594	24%	0.235	S	C	*	.	S	Bend	trans	-96.2	-17.7	176.1	44.3	0	0	0	0	114.2	D291	S269-D291 PolarHBondContact N-OD2 2.89Å; S269-D291 WeakPolarHBondContact OG-CB 3.12Å; S269-D291 PolarHBondContact OG-OD2 2.89Å
270	Q	98.4	Very high	95.8	Very high	98 Å²	98	45 Å²	45	46%	0.458	24%	0.237	S	C	.	.	S	Bend	trans	-137.7	-171.7	-177.5	-68.3	173	-55.5	0	0	110.9	K244 S289 V290 D291	K244-Q270 WeakPolarHBondContact CA-O 3.38Å; K244-Q270 WeakPolarHBondContact CB-O 3.36Å; Q270-S289 PolarHBondContact O-OG 3.05Å; Q270-V290 HydrophobicContact CB-CB 3.92Å; Q270-V290 HydrophobicContact CB-CG1 3.94Å; Q270-V290 HydrophobicContact CG-CG1 4.43Å; Q270-V290 PolarHBondContact OE1-O 2.82Å; Q270-D291 HydrophobicContact CB-CB 4.14Å; Q270-D291 HydrophobicContact CG-CB 4.46Å; Q270-D291 VanDerWaalsContact OE1-CA 3.27Å
271	S	98.6	Very high	95.9	Very high	14 Å²	14	48.8 Å²	48.8	10%	0.098	26%	0.255	C	S	.	.			trans	-48.3	139	-176.5	-174.5	0	0	0	0	113.3	C242 E273 S289 V290	C242-S271 VanDerWaalsContact CA-OG 3.28Å; C242-S271 WeakPolarHBondContact CA-OG 3.39Å; S271-E273 WeakPolarHBondContact CB-OE1 3.32Å; S271-E273 PolarHBondContact OG-OE1 3.05Å; S271-S289 WeakPolarHBondContact O-CA 3.42Å; S271-S289 WeakPolarHBondContact O-CB 3.37Å; S271-S289 PolarHBondContact O-OG 2.83Å; S271-V290 PolarHBondContact O-N 2.95Å; S271-V290 VanDerWaalsContact O-N 3.17Å
272	V	98.8	Very high	96.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113	171.2	-178.2	0	0	0	0	107.9	A226 D241 I246 H268 L275	A226-V272 HydrophobicContact CB-CG1 3.97Å; D241-V272 PolarHBondContact O-N 3.21Å; I246-V272 HydrophobicContact CD1-CG1 4.21Å; I246-V272 HydrophobicContact CD1-CG2 4.02Å; I246-V272 HydrophobicContact CG1-CB 4.45Å; I246-V272 HydrophobicContact CG1-CG1 4.17Å; I246-V272 HydrophobicContact CG1-CG2 3.89Å; H268-V272 HydrophobicContact CB-CG2 4.43Å; V272-L275 HydrophobicContact CG1-CD1 4.43Å; V272-L275 HydrophobicContact CG1-CD2 4.44Å; V272-L275 HydrophobicContact CG1-CG 4.11Å
273	E	98.7	Very high	97	Very high	29 Å²	29	39.5 Å²	39.5	14%	0.136	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-32.9	-172.9	-62.2	-55.8	125.3	0	0	112.3	R162 S271 C288 V290 I317 N318	R162-E273 PolarHBondContact NH2-O 2.78Å; S271-E273 WeakPolarHBondContact CB-OE1 3.32Å; S271-E273 PolarHBondContact OG-OE1 3.05Å; E273-C288 PolarHBondContact N-O 2.74Å; E273-C288 VanDerWaalsContact N-O 3.11Å; E273-V290 HydrophobicContact CG-CG2 4.01Å; E273-V290 WeakPolarHBondContact OE1-CG2 3.17Å; E273-I317 WeakPolarHBondContact CB-O 3.45Å; E273-I317 WeakPolarHBondContact CG-O 3.4Å; E273-N318 VanDerWaalsContact CB-O 3.3Å; E273-N318 WeakPolarHBondContact CB-O 3.35Å
274	D	98.8	Very high	97.4	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153.8	-179	-158.1	8.4	0	0	0	113.3	R162 S287 C288 V319 I320	R162-D274 IonicContact CZ-OD1 2.99Å; R162-D274 IonicContact NH1-OD1 2.82Å; R162-D274 PolarHBondContact NH1-OD1 3.06Å; D274-S287 VanDerWaalsContact O-CA 3.26Å; D274-S287 WeakPolarHBondContact O-CA 3.25Å; D274-C288 VanDerWaalsContact CB-SG 3.55Å; D274-C288 PolarHBondContact O-N 3.37Å; D274-C288 VanDerWaalsContact O-N 3.11Å; D274-V319 WeakPolarHBondContact OD2-CA 3.18Å; D274-I320 HydrophobicContact CB-CG1 4Å; D274-I320 PolarHBondContact OD2-N 3.03Å; D274-I320 VanDerWaalsContact OD2-O 3.13Å
275	L	98.6	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.8	-177.5	-78.2	162.3	0	0	0	109.3	A226 D228 V238 I246 V272 F285 A286	A226-L275 HydrophobicContact CB-CB 4.11Å; A226-L275 HydrophobicContact CB-CD1 3.58Å; A226-L275 HydrophobicContact CB-CG 3.72Å; D228-L275 WeakPolarHBondContact CB-O 3.4Å; V238-L275 HydrophobicContact CG1-CB 3.88Å; V238-L275 HydrophobicContact CG1-CD1 4.08Å; V238-L275 HydrophobicContact CG1-CD2 4.34Å; V238-L275 HydrophobicContact CG1-CG 4.34Å; V238-L275 HydrophobicContact CG2-CD1 4.03Å; V238-L275 HydrophobicContact CG2-CD2 4.19Å; I246-L275 HydrophobicContact CD1-CD2 4.05Å; I246-L275 HydrophobicContact CG1-CD1 4.48Å; I246-L275 HydrophobicContact CG1-CD2 4.33Å; I246-L275 HydrophobicContact CG2-CD1 4.03Å; I246-L275 HydrophobicContact CG2-CD2 4.03Å; V272-L275 HydrophobicContact CG1-CD1 4.43Å; V272-L275 HydrophobicContact CG1-CD2 4.44Å; V272-L275 HydrophobicContact CG1-CG 4.11Å; L275-F285 HydrophobicContact CD2-CD2 3.62Å; L275-F285 HydrophobicContact CD2-CE2 3.65Å; L275-A286 WeakPolarHBondContact CA-O 3.28Å
276	Q	98.5	Very high	97.6	Very high	35 Å²	35	30.8 Å²	30.8	16%	0.164	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	121.8	174.9	-75.6	-67.8	-59.5	0	0	110.3	D228 F285 A286 I320 W322	D228-Q276 WeakPolarHBondContact OD2-CA 3.46Å; Q276-F285 CarbonylContact O-C 3.51Å; Q276-F285 VanDerWaalsContact O-CA 3.28Å; Q276-F285 WeakPolarHBondContact O-CA 3.3Å; Q276-F285 WeakPolarHBondContact O-CB 3.29Å; Q276-A286 PolarHBondContact N-O 2.89Å; Q276-A286 PolarHBondContact O-N 3.03Å; Q276-I320 HydrophobicContact CB-CD1 4.3Å; Q276-I320 HydrophobicContact CG-CD1 4.39Å; Q276-I320 HydrophobicContact CG-CG1 4.17Å; Q276-I320 WeakPolarHBondContact CG-O 3.38Å; Q276-W322 HydrophobicContact CB-CB 4.43Å
277	W	98.5	Very high	97.8	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	146.7	168.3	-79.2	100.3	0	0	0	110.5	D228 W229 S230 R236 V238 V248 V284 F285 I299	D228-W277 VanDerWaalsContact O-CD1 3.31Å; D228-W277 PolarHBondContact O-NE1 3.25Å; D228-W277 PolarHBondContact OD2-N 3.1Å; W229-W277 VanDerWaalsContact C-CD1 3.41Å; S230-W277 VanDerWaalsContact N-CD1 3.3Å; R236-W277 HydrophobicContact CG-CH2 4.19Å; R236-W277 HydrophobicContact CG-CZ2 3.71Å; V238-W277 HydrophobicContact CB-CZ2 3.87Å; V238-W277 HydrophobicContact CG1-CZ2 4.48Å; V248-W277 HydrophobicContact CG1-CH2 4.29Å; V248-W277 HydrophobicContact CG1-CZ2 4.27Å; W277-V284 VanDerWaalsContact CE3-O 3.31Å; W277-F285 HydrophobicContact CD2-CB 4.04Å; W277-F285 HydrophobicContact CE3-CB 3.87Å; W277-F285 HydrophobicContact CE3-CD1 4.41Å; W277-F285 HydrophobicContact CG-CB 4.43Å; W277-F285 AromaticContact CH2-CD1 3.98Å; W277-F285 HydrophobicContact CH2-CD1 3.98Å; W277-F285 HydrophobicContact CZ2-CD1 4.5Å; W277-F285 HydrophobicContact CZ3-CB 4.26Å; W277-F285 AromaticContact CZ3-CD1 3.94Å; W277-F285 HydrophobicContact CZ3-CD1 3.94Å; W277-I299 HydrophobicContact CH2-CD1 4.23Å; W277-I299 HydrophobicContact CH2-CG2 3.9Å; W277-I299 HydrophobicContact CZ3-CG2 4.36Å
278	S	97.9	Very high	98	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.014	15%	0.152	C	C	.	.			trans	-64.4	131.6	174.6	178.3	0	0	0	0	110.4	T280 E281 V284	S278-T280 PolarHBondContact O-N 3.05Å; S278-T280 PolarHBondContact OG-N 3.23Å; S278-T280 PolarHBondContact OG-OG1 3.31Å; S278-E281 WeakPolarHBondContact CB-O 3.45Å; S278-E281 PolarHBondContact OG-N 3.24Å; S278-V284 VanDerWaalsContact CB-O 3.23Å; S278-V284 WeakPolarHBondContact CB-O 3.21Å; S278-V284 PolarHBondContact N-O 3.02Å
279	P	96.3	Very high	98.1	Very high	18 Å²	18	26.6 Å²	26.6	12%	0.117	15%	0.152	C	C	.	.	S	Bend	trans	-73.1	-6.6	175.7	28.9	-33	0	0	0	112.8	K232 W322 N323 R324	K232-P279 WeakPolarHBondContact CE-O 3.3Å; K232-P279 PolarHBondContact NZ-O 3.38Å; P279-W322 HydrophobicContact CG-CG 4.15Å; P279-N323 VanDerWaalsContact CG-O 3.27Å; P279-N323 WeakPolarHBondContact CG-O 3.25Å; P279-R324 HydrophobicContact CB-CB 4.39Å; P279-R324 HydrophobicContact CB-CG 4.37Å
280	T	95.9	Very high	98.1	Very high	85 Å²	85	23.7 Å²	23.7	52%	0.521	13%	0.13	S	C	.	.	S	Bend	trans	-120.4	-37.5	-177.8	52.5	0	0	0	0	112.7	K232 S278	K232-T280 WeakPolarHBondContact CE-O 3.33Å; S278-T280 PolarHBondContact O-N 3.05Å; S278-T280 PolarHBondContact OG-N 3.23Å; S278-T280 PolarHBondContact OG-OG1 3.31Å
281	E	96.6	Very high	98.1	Very high	102 Å²	102	20 Å²	20	48%	0.477	11%	0.114	S	C	.	.			trans	-109.3	115.2	-174	-65.4	-64.2	158.7	0	0	112.6	S278 T283 V284	S278-E281 WeakPolarHBondContact CB-O 3.45Å; S278-E281 PolarHBondContact OG-N 3.24Å; E281-T283 PolarHBondContact O-N 3.27Å; E281-V284 HydrophobicContact CB-CB 3.83Å; E281-V284 HydrophobicContact CB-CG2 3.79Å; E281-V284 HydrophobicContact CG-CG2 4.47Å; E281-V284 PolarHBondContact O-N 3.29Å
282	A	97.6	Very high	98.1	Very high	35 Å²	35	22.5 Å²	22.5	29%	0.289	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.1	-171.7	0	0	0	0	0	115.9	K232 V233 R236	K232-A282 HydrophobicContact CB-CB 3.69Å; K232-A282 HydrophobicContact CG-CB 4.29Å; V233-A282 HydrophobicContact CG2-CB 3.98Å; R236-A282 PolarHBondContact NH1-O 3.12Å
283	T	97.6	Very high	98.1	Very high	24 Å²	24	22.6 Å²	22.6	15%	0.147	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	0.6	-176	67.9	0	0	0	0	113.3	E281 D298 I299 R300	E281-T283 PolarHBondContact O-N 3.27Å; T283-D298 WeakPolarHBondContact CB-OD1 3.28Å; T283-D298 WeakPolarHBondContact O-CA 3.29Å; T283-D298 PolarHBondContact OG1-OD1 3.35Å; T283-I299 HydrophobicContact CG2-CD1 4.48Å; T283-I299 HydrophobicContact CG2-CG1 4.18Å; T283-I299 PolarHBondContact O-N 3.13Å; T283-R300 HydrophobicContact CG2-CG 3.89Å; T283-R300 PolarHBondContact OG1-NE 3.09Å; T283-R300 VanDerWaalsContact OG1-NE 3.13Å
284	V	98.1	Very high	98.1	Very high	20 Å²	20	21.2 Å²	21.2	12%	0.121	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.9	-172.8	177.5	0	0	0	0	109.8	W277 S278 E281 I296 W297 D298 W322	W277-V284 VanDerWaalsContact CE3-O 3.31Å; S278-V284 VanDerWaalsContact CB-O 3.23Å; S278-V284 WeakPolarHBondContact CB-O 3.21Å; S278-V284 PolarHBondContact N-O 3.02Å; E281-V284 HydrophobicContact CB-CB 3.83Å; E281-V284 HydrophobicContact CB-CG2 3.79Å; E281-V284 HydrophobicContact CG-CG2 4.47Å; E281-V284 PolarHBondContact O-N 3.29Å; V284-I296 HydrophobicContact CG1-CG2 3.65Å; V284-W297 VanDerWaalsContact CA-O 3.25Å; V284-W297 WeakPolarHBondContact CA-O 3.44Å; V284-W297 WeakPolarHBondContact CG1-O 3.38Å; V284-D298 HydrophobicContact CG2-CB 4.44Å; V284-W322 HydrophobicContact CG1-CH2 3.78Å; V284-W322 HydrophobicContact CG1-CZ3 4.43Å
285	F	98.5	Very high	98.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	163.5	171	67.1	-88.9	0	0	0	110.4	V238 I246 V248 F265 L275 Q276 W277 W297 I299	V238-F285 HydrophobicContact CG2-CD2 4.24Å; V238-F285 HydrophobicContact CG2-CE1 4.42Å; V238-F285 HydrophobicContact CG2-CE2 4.06Å; V238-F285 HydrophobicContact CG2-CZ 4.16Å; I246-F285 HydrophobicContact CD1-CE2 4.33Å; I246-F285 HydrophobicContact CG2-CE2 3.93Å; I246-F285 HydrophobicContact CG2-CZ 4.01Å; V248-F285 HydrophobicContact CG2-CE1 4.22Å; F265-F285 HydrophobicContact CD2-CZ 4.45Å; F265-F285 HydrophobicContact CG-CZ 4.44Å; L275-F285 HydrophobicContact CD2-CD2 3.62Å; L275-F285 HydrophobicContact CD2-CE2 3.65Å; Q276-F285 CarbonylContact O-C 3.51Å; Q276-F285 VanDerWaalsContact O-CA 3.28Å; Q276-F285 WeakPolarHBondContact O-CA 3.3Å; Q276-F285 WeakPolarHBondContact O-CB 3.29Å; W277-F285 HydrophobicContact CD2-CB 4.04Å; W277-F285 HydrophobicContact CE3-CB 3.87Å; W277-F285 HydrophobicContact CE3-CD1 4.41Å; W277-F285 HydrophobicContact CG-CB 4.43Å; W277-F285 AromaticContact CH2-CD1 3.98Å; W277-F285 HydrophobicContact CH2-CD1 3.98Å; W277-F285 HydrophobicContact CZ2-CD1 4.5Å; W277-F285 HydrophobicContact CZ3-CB 4.26Å; W277-F285 AromaticContact CZ3-CD1 3.94Å; W277-F285 HydrophobicContact CZ3-CD1 3.94Å; F285-W297 HydrophobicContact CD1-CB 3.87Å; F285-W297 HydrophobicContact CD2-CB 4.1Å; F285-W297 AromaticContact CD2-CD1 3.42Å; F285-W297 VanDerWaalsContact CD2-CD1 3.42Å; F285-W297 AromaticContact CD2-CG 3.96Å; F285-W297 HydrophobicContact CD2-CG 3.96Å; F285-W297 HydrophobicContact CE1-CB 3.47Å; F285-W297 VanDerWaalsContact CE1-CB 3.47Å; F285-W297 HydrophobicContact CE1-CG 4.06Å; F285-W297 HydrophobicContact CE2-CB 3.72Å; F285-W297 AromaticContact CE2-CD1 3.12Å; F285-W297 HydrophobicContact CE2-CD2 4.1Å; F285-W297 AromaticContact CE2-CG 3.38Å; F285-W297 HydrophobicContact CE2-CG 3.38Å; F285-W297 AromaticContact CE2-NE1 3.7Å; F285-W297 HydrophobicContact CG-CB 4.17Å; F285-W297 HydrophobicContact CZ-CB 3.39Å; F285-W297 AromaticContact CZ-CD1 3.72Å; F285-W297 HydrophobicContact CZ-CD2 4.09Å; F285-W297 AromaticContact CZ-CG 3.44Å; F285-W297 HydrophobicContact CZ-CG 3.44Å; F285-W297 VanDerWaalsContact CZ-CG 3.44Å; F285-W297 PolarHBondContact N-O 3.35Å; F285-W297 PolarHBondContact O-N 2.8Å; F285-I299 HydrophobicContact CD1-CG2 4.11Å; F285-I299 HydrophobicContact CE1-CG2 3.74Å
286	A	98.6	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	153.2	176.6	0	0	0	0	0	109.8	L275 Q276 R295 I296 I320 W322 L329	L275-A286 WeakPolarHBondContact CA-O 3.28Å; Q276-A286 PolarHBondContact N-O 2.89Å; Q276-A286 PolarHBondContact O-N 3.03Å; A286-R295 CarbonylContact C-O 3.46Å; A286-R295 VanDerWaalsContact CA-O 3.24Å; A286-R295 WeakPolarHBondContact CA-O 3.46Å; A286-I296 HydrophobicContact CB-CD1 3.65Å; A286-I320 HydrophobicContact CB-CD1 3.79Å; A286-W322 HydrophobicContact CB-CE3 3.79Å; A286-W322 HydrophobicContact CB-CZ3 3.58Å; A286-L329 HydrophobicContact CB-CD1 4.29Å; A286-L329 HydrophobicContact CB-CD2 4.47Å
287	S	98.8	Very high	98	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.3	171.6	64.1	0	0	0	0	111.4	H268 D274 I294 R295 W297	H268-S287 PolarHBondContact CD2-OG 2.88Å; H268-S287 PolarHBondContact NE2-OG 2.88Å; D274-S287 VanDerWaalsContact O-CA 3.26Å; D274-S287 WeakPolarHBondContact O-CA 3.25Å; S287-I294 CarbonylContact O-C 3.5Å; S287-I294 WeakPolarHBondContact O-CA 3.46Å; S287-R295 PolarHBondContact N-O 2.97Å; S287-R295 PolarHBondContact O-N 2.92Å; S287-W297 PolarHBondContact OG-NE1 2.95Å
288	C	98.8	Very high	97.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	163.2	166.8	71.8	0	0	0	0	111.5	E273 D274 I294 I317 I320	E273-C288 PolarHBondContact N-O 2.74Å; E273-C288 VanDerWaalsContact N-O 3.11Å; D274-C288 VanDerWaalsContact CB-SG 3.55Å; D274-C288 PolarHBondContact O-N 3.37Å; D274-C288 VanDerWaalsContact O-N 3.11Å; C288-I294 HydrophobicContact CB-CG1 4.35Å; C288-I317 HydrophobicContact CB-CB 3.86Å; C288-I317 HydrophobicContact CB-CG2 3.48Å; C288-I317 VanDerWaalsContact CB-CG2 3.48Å; C288-I317 PolarHBondContact SG-O 2.88Å; C288-I320 HydrophobicContact CB-CG2 3.69Å
289	S	98.8	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	157.2	-169	175.6	0	0	0	0	112.6	H268 Q270 S271 D291 Q292 S293 I317	H268-S289 WeakPolarHBondContact CE1-CB 3.49Å; H268-S289 WeakPolarHBondContact ND1-CB 3.38Å; Q270-S289 PolarHBondContact O-OG 3.05Å; S271-S289 WeakPolarHBondContact O-CA 3.42Å; S271-S289 WeakPolarHBondContact O-CB 3.37Å; S271-S289 PolarHBondContact O-OG 2.83Å; S289-D291 VanDerWaalsContact CB-OD1 3.25Å; S289-D291 WeakPolarHBondContact CB-OD1 3.49Å; S289-D291 PolarHBondContact O-N 3Å; S289-D291 VanDerWaalsContact O-N 3.15Å; S289-D291 VanDerWaalsContact OG-CG 3.31Å; S289-D291 PolarHBondContact OG-N 2.85Å; S289-D291 PolarHBondContact OG-OD1 2.78Å; S289-Q292 PolarHBondContact O-N 2.95Å; S289-S293 PolarHBondContact N-O 3.37Å; S289-I317 PolarHBondContact O-N 2.83Å
290	V	98.7	Very high	97.8	Very high	24 Å²	24	31.2 Å²	31.2	15%	0.145	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-23.6	163	169.3	0	0	0	0	112.4	Q270 S271 E273 Q292 D316	Q270-V290 HydrophobicContact CB-CB 3.92Å; Q270-V290 HydrophobicContact CB-CG1 3.94Å; Q270-V290 HydrophobicContact CG-CG1 4.43Å; Q270-V290 PolarHBondContact OE1-O 2.82Å; S271-V290 PolarHBondContact O-N 2.95Å; S271-V290 VanDerWaalsContact O-N 3.17Å; E273-V290 HydrophobicContact CG-CG2 4.01Å; E273-V290 WeakPolarHBondContact OE1-CG2 3.17Å; V290-Q292 PolarHBondContact O-N 2.85Å; V290-D316 HydrophobicContact CB-CB 4.48Å; V290-D316 WeakPolarHBondContact CG1-OD2 3.22Å; V290-D316 HydrophobicContact CG2-CB 4.21Å
291	D	98.5	Very high	97.6	Very high	22 Å²	22	28.4 Å²	28.4	12%	0.118	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	11.3	174.1	76.4	9.9	0	0	0	114.9	H268 S269 Q270 S289 S293 R295	H268-D291 VanDerWaalsContact CA-OD2 3.22Å; H268-D291 WeakPolarHBondContact CA-OD2 3.36Å; H268-D291 WeakPolarHBondContact CB-OD2 3.26Å; H268-D291 IonicContact CE1-OD1 3.67Å; H268-D291 IonicContact CG-OD2 3.54Å; H268-D291 VanDerWaalsContact ND1-CG 3.33Å; H268-D291 IonicContact ND1-OD1 3.1Å; H268-D291 PolarHBondContact ND1-OD1 2.77Å; H268-D291 VanDerWaalsContact ND1-OD1 3.1Å; H268-D291 IonicContact ND1-OD2 2.88Å; H268-D291 PolarHBondContact ND1-OD2 3.5Å; S269-D291 PolarHBondContact N-OD2 2.89Å; S269-D291 WeakPolarHBondContact OG-CB 3.12Å; S269-D291 PolarHBondContact OG-OD2 2.89Å; Q270-D291 HydrophobicContact CB-CB 4.14Å; Q270-D291 HydrophobicContact CG-CB 4.46Å; Q270-D291 VanDerWaalsContact OE1-CA 3.27Å; S289-D291 VanDerWaalsContact CB-OD1 3.25Å; S289-D291 WeakPolarHBondContact CB-OD1 3.49Å; S289-D291 PolarHBondContact O-N 3Å; S289-D291 VanDerWaalsContact O-N 3.15Å; S289-D291 VanDerWaalsContact OG-CG 3.31Å; S289-D291 PolarHBondContact OG-N 2.85Å; S289-D291 PolarHBondContact OG-OD1 2.78Å; D291-S293 PolarHBondContact O-N 2.77Å; D291-S293 VanDerWaalsContact O-N 3.16Å; D291-S293 VanDerWaalsContact OD1-CB 3.24Å; D291-S293 WeakPolarHBondContact OD1-CB 3.47Å; D291-S293 PolarHBondContact OD1-N 2.96Å; D291-S293 PolarHBondContact OD1-OG 3.01Å; D291-S293 PolarHBondContact OD2-OG 2.86Å; D291-R295 IonicContact OD2-NH2 3.93Å
292	Q	98.4	Very high	97.2	Very high	66 Å²	66	27.8 Å²	27.8	31%	0.308	15%	0.147	S	C	.	.	S	Bend	trans	63.9	18.2	176	-44.7	179.3	-6.4	0	0	112.9	S289 V290 E311 A312	S289-Q292 PolarHBondContact O-N 2.95Å; V290-Q292 PolarHBondContact O-N 2.85Å; Q292-E311 PolarHBondContact O-N 2.68Å; Q292-A312 PolarHBondContact O-N 2.82Å
293	S	98.2	Very high	96.7	Very high	2 Å²	2	27 Å²	27	1%	0.014	14%	0.139	C	C	.	.			trans	-114.1	148.4	179	78.8	0	0	0	0	113	H268 S289 D291 R295 A309	H268-S293 PolarHBondContact CE1-OG 2.62Å; H268-S293 PolarHBondContact ND1-OG 3.11Å; S289-S293 PolarHBondContact N-O 3.37Å; D291-S293 PolarHBondContact O-N 2.77Å; D291-S293 VanDerWaalsContact O-N 3.16Å; D291-S293 VanDerWaalsContact OD1-CB 3.24Å; D291-S293 WeakPolarHBondContact OD1-CB 3.47Å; D291-S293 PolarHBondContact OD1-N 2.96Å; D291-S293 PolarHBondContact OD1-OG 3.01Å; D291-S293 PolarHBondContact OD2-OG 2.86Å; S293-R295 PolarHBondContact OG-NE 3.37Å; S293-A309 VanDerWaalsContact CA-O 3.23Å; S293-A309 WeakPolarHBondContact CA-O 3.49Å; S293-A309 WeakPolarHBondContact CB-O 3.43Å
294	I	98.6	Very high	96.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.2	165.5	-58.1	172.3	0	0	0	107.6	S287 C288 S308 A309 A312 I317 L329 W341 F346	S287-I294 CarbonylContact O-C 3.5Å; S287-I294 WeakPolarHBondContact O-CA 3.46Å; C288-I294 HydrophobicContact CB-CG1 4.35Å; I294-S308 CarbonylContact O-C 3.59Å; I294-S308 WeakPolarHBondContact O-CA 3.43Å; I294-A309 PolarHBondContact N-O 2.75Å; I294-A309 PolarHBondContact O-N 2.89Å; I294-A312 HydrophobicContact CD1-CB 4.14Å; I294-A312 HydrophobicContact CG1-CB 4.06Å; I294-I317 HydrophobicContact CD1-CD1 4.42Å; I294-I317 HydrophobicContact CG1-CD1 3.77Å; I294-L329 HydrophobicContact CD1-CD2 4.41Å; I294-L329 HydrophobicContact CG2-CD2 3.52Å; I294-W341 HydrophobicContact CD1-CD2 4.33Å; I294-W341 HydrophobicContact CD1-CZ2 4.05Å; I294-F346 HydrophobicContact CB-CZ 3.94Å; I294-F346 HydrophobicContact CG2-CE2 4.25Å; I294-F346 HydrophobicContact CG2-CZ 3.74Å
295	R	98.2	Very high	96	Very high	30 Å²	30	30.4 Å²	30.4	11%	0.113	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.8	-177.2	-63.3	-174.2	-179	-131.1	13.1	111.6	S267 H268 A286 S287 D291 S293 W297 S305 L307	S267-R295 VanDerWaalsContact C-CZ 3.46Å; S267-R295 PolarHBondContact O-NH1 3.07Å; S267-R295 VanDerWaalsContact O-NH1 3.09Å; S267-R295 PolarHBondContact O-NH2 3.15Å; H268-R295 VanDerWaalsContact CE1-CD 3.46Å; H268-R295 WeakPolarHBondContact CE1-CD 3.43Å; H268-R295 PolarHBondContact ND1-NE 3.3Å; A286-R295 CarbonylContact C-O 3.46Å; A286-R295 VanDerWaalsContact CA-O 3.24Å; A286-R295 WeakPolarHBondContact CA-O 3.46Å; S287-R295 PolarHBondContact N-O 2.97Å; S287-R295 PolarHBondContact O-N 2.92Å; D291-R295 IonicContact OD2-NH2 3.93Å; S293-R295 PolarHBondContact OG-NE 3.37Å; R295-W297 HydrophobicContact CB-CZ2 3.72Å; R295-W297 HydrophobicContact CG-CZ2 4.33Å; R295-W297 PolarHBondContact O-NE1 3.36Å; R295-S305 PolarHBondContact NH1-OG 3.32Å; R295-L307 WeakPolarHBondContact CA-O 3.26Å
296	I	98.1	Very high	95.8	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.067	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135	173.6	-49.6	-60.1	0	0	0	108.4	V284 A286 M306 L307 W322 L343 F346	V284-I296 HydrophobicContact CG1-CG2 3.65Å; A286-I296 HydrophobicContact CB-CD1 3.65Å; I296-M306 PolarHBondContact O-N 2.99Å; I296-L307 HydrophobicContact CB-CB 4.04Å; I296-L307 HydrophobicContact CB-CD1 4.49Å; I296-L307 HydrophobicContact CG1-CB 4.14Å; I296-L307 HydrophobicContact CG1-CD1 4.44Å; I296-L307 PolarHBondContact N-O 3.25Å; I296-L307 PolarHBondContact O-N 3.43Å; I296-W322 HydrophobicContact CD1-CH2 4.42Å; I296-L343 HydrophobicContact CD1-CD2 4.04Å; I296-L343 HydrophobicContact CG1-CD2 4.44Å; I296-F346 HydrophobicContact CG1-CD1 4.32Å; I296-F346 HydrophobicContact CG1-CE1 3.99Å; I296-F346 HydrophobicContact CG1-CZ 4.36Å
297	W	97.9	Very high	95.6	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	155.2	-172.2	-49.3	87.3	0	0	0	110.4	I246 F265 S267 H268 V284 F285 S287 R295 S305	I246-W297 HydrophobicContact CD1-CH2 4.46Å; I246-W297 HydrophobicContact CD1-CZ2 3.84Å; F265-W297 HydrophobicContact CB-CE3 4.03Å; F265-W297 HydrophobicContact CB-CH2 4.33Å; F265-W297 HydrophobicContact CB-CZ3 3.81Å; F265-W297 HydrophobicContact CD1-CD2 4.45Å; F265-W297 AromaticContact CD1-CE3 3.64Å; F265-W297 HydrophobicContact CD1-CE3 3.64Å; F265-W297 HydrophobicContact CD1-CZ3 4.11Å; F265-W297 HydrophobicContact CG-CE3 4.23Å; F265-W297 HydrophobicContact CG-CZ3 4.45Å; S267-W297 WeakPolarHBondContact OG-CZ3 3.34Å; H268-W297 AromaticContact CD2-CZ2 3.74Å; H268-W297 AromaticContact NE2-CZ2 3.98Å; V284-W297 VanDerWaalsContact CA-O 3.25Å; V284-W297 WeakPolarHBondContact CA-O 3.44Å; V284-W297 WeakPolarHBondContact CG1-O 3.38Å; F285-W297 HydrophobicContact CD1-CB 3.87Å; F285-W297 HydrophobicContact CD2-CB 4.1Å; F285-W297 AromaticContact CD2-CD1 3.42Å; F285-W297 VanDerWaalsContact CD2-CD1 3.42Å; F285-W297 AromaticContact CD2-CG 3.96Å; F285-W297 HydrophobicContact CD2-CG 3.96Å; F285-W297 HydrophobicContact CE1-CB 3.47Å; F285-W297 VanDerWaalsContact CE1-CB 3.47Å; F285-W297 HydrophobicContact CE1-CG 4.06Å; F285-W297 HydrophobicContact CE2-CB 3.72Å; F285-W297 AromaticContact CE2-CD1 3.12Å; F285-W297 HydrophobicContact CE2-CD2 4.1Å; F285-W297 AromaticContact CE2-CG 3.38Å; F285-W297 HydrophobicContact CE2-CG 3.38Å; F285-W297 AromaticContact CE2-NE1 3.7Å; F285-W297 HydrophobicContact CG-CB 4.17Å; F285-W297 HydrophobicContact CZ-CB 3.39Å; F285-W297 AromaticContact CZ-CD1 3.72Å; F285-W297 HydrophobicContact CZ-CD2 4.09Å; F285-W297 AromaticContact CZ-CG 3.44Å; F285-W297 HydrophobicContact CZ-CG 3.44Å; F285-W297 VanDerWaalsContact CZ-CG 3.44Å; F285-W297 PolarHBondContact N-O 3.35Å; F285-W297 PolarHBondContact O-N 2.8Å; S287-W297 PolarHBondContact OG-NE1 2.95Å; R295-W297 HydrophobicContact CB-CZ2 3.72Å; R295-W297 HydrophobicContact CG-CZ2 4.33Å; R295-W297 PolarHBondContact O-NE1 3.36Å; W297-S305 VanDerWaalsContact CZ3-N 3.28Å
298	D	97	Very high	95.4	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.118	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	118.4	169.8	-173.8	-15.3	0	0	0	108.5	T283 V284 R300 A301 M306	T283-D298 WeakPolarHBondContact CB-OD1 3.28Å; T283-D298 WeakPolarHBondContact O-CA 3.29Å; T283-D298 PolarHBondContact OG1-OD1 3.35Å; V284-D298 HydrophobicContact CG2-CB 4.44Å; D298-R300 PolarHBondContact O-N 3.23Å; D298-R300 VanDerWaalsContact O-N 3.11Å; D298-R300 WeakPolarHBondContact OD1-CB 3.21Å; D298-R300 WeakPolarHBondContact OD1-CG 3.5Å; D298-R300 IonicContact OD1-CZ 3.06Å; D298-R300 PolarHBondContact OD1-N 3.47Å; D298-R300 IonicContact OD1-NE 3.44Å; D298-R300 PolarHBondContact OD1-NE 3.48Å; D298-R300 IonicContact OD1-NH2 3.82Å; D298-R300 IonicContact OD2-CZ 3.79Å; D298-R300 VanDerWaalsContact OD2-CZ 3.23Å; D298-R300 IonicContact OD2-NE 2.67Å; D298-R300 PolarHBondContact OD2-NE 3.05Å; D298-R300 IonicContact OD2-NH2 3.26Å; D298-R300 PolarHBondContact OD2-NH2 2.83Å; D298-A301 PolarHBondContact O-N 2.82Å; D298-M306 HydrophobicContact CB-CG 3.79Å
299	I	96.4	Very high	95.4	Very high	39 Å²	39	38.8 Å²	38.8	20%	0.2	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-9.8	-175.9	66.2	169.2	0	0	0	113.4	V248 F265 W277 T283 F285 A301	V248-I299 HydrophobicContact CG1-CG2 4.33Å; V248-I299 HydrophobicContact CG2-CG2 3.79Å; F265-I299 HydrophobicContact CZ-CB 4.4Å; F265-I299 HydrophobicContact CZ-CG2 4.02Å; W277-I299 HydrophobicContact CH2-CD1 4.23Å; W277-I299 HydrophobicContact CH2-CG2 3.9Å; W277-I299 HydrophobicContact CZ3-CG2 4.36Å; T283-I299 HydrophobicContact CG2-CD1 4.48Å; T283-I299 HydrophobicContact CG2-CG1 4.18Å; T283-I299 PolarHBondContact O-N 3.13Å; F285-I299 HydrophobicContact CD1-CG2 4.11Å; F285-I299 HydrophobicContact CE1-CG2 3.74Å; I299-A301 VanDerWaalsContact C-N 3.3Å
300	R	95.1	Very high	95.3	Very high	171 Å²	171	43.7 Å²	43.7	65%	0.645	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-20.6	172.8	-59	174.9	-65.1	-166	-1.5	112.4	T283 D298	T283-R300 HydrophobicContact CG2-CG 3.89Å; T283-R300 PolarHBondContact OG1-NE 3.09Å; T283-R300 VanDerWaalsContact OG1-NE 3.13Å; D298-R300 PolarHBondContact O-N 3.23Å; D298-R300 VanDerWaalsContact O-N 3.11Å; D298-R300 WeakPolarHBondContact OD1-CB 3.21Å; D298-R300 WeakPolarHBondContact OD1-CG 3.5Å; D298-R300 IonicContact OD1-CZ 3.06Å; D298-R300 PolarHBondContact OD1-N 3.47Å; D298-R300 IonicContact OD1-NE 3.44Å; D298-R300 PolarHBondContact OD1-NE 3.48Å; D298-R300 IonicContact OD1-NH2 3.82Å; D298-R300 IonicContact OD2-CZ 3.79Å; D298-R300 VanDerWaalsContact OD2-CZ 3.23Å; D298-R300 IonicContact OD2-NE 2.67Å; D298-R300 PolarHBondContact OD2-NE 3.05Å; D298-R300 IonicContact OD2-NH2 3.26Å; D298-R300 PolarHBondContact OD2-NH2 2.83Å
301	A	91.7	Very high	95.1	Very high	26 Å²	26	50.5 Å²	50.5	22%	0.215	26%	0.26	C	S	.	.	S	Bend	trans	-93.7	162	179.7	0	0	0	0	0	110.9	D298 I299 M306	D298-A301 PolarHBondContact O-N 2.82Å; I299-A301 VanDerWaalsContact C-N 3.3Å; A301-M306 HydrophobicContact CB-CE 3.54Å; A301-M306 HydrophobicContact CB-SD 3.8Å
302	P	87.4	Confident	95.1	Very high	89 Å²	89	49.5 Å²	49.5	58%	0.578	25%	0.254	S	S	*	.	S	Bend	trans	-52.4	155.3	166.5	-23.4	34	0	0	0	110.8	N304	P302-N304 PolarHBondContact O-N 2.9Å
303	P	86.9	Confident	95.1	Very high	18 Å²	18	46.5 Å²	46.5	12%	0.117	24%	0.24	C	C	.	.	S	Bend	trans	-72.4	67.1	-167.4	29.6	-36.6	0	0	0	113.6	R263 F265	R263-P303 HydrophobicContact CG-CG 4.1Å; F265-P303 HydrophobicContact CB-CB 4.38Å; F265-P303 HydrophobicContact CD1-CB 3.68Å; F265-P303 HydrophobicContact CD2-CB 4.44Å; F265-P303 HydrophobicContact CE1-CB 4Å; F265-P303 HydrophobicContact CG-CB 3.91Å; F265-P303 HydrophobicContact CZ-CB 4.46Å
304	N	89.3	Confident	95	Very high	89 Å²	89	50.8 Å²	50.8	48%	0.476	27%	0.27	S	S	.	.	S	Bend	trans	-133.3	149.4	179.8	-70.6	-40.6	0	0	0	109	S267 P302 M306	S267-N304 WeakPolarHBondContact OG-CA 3.39Å; P302-N304 PolarHBondContact O-N 2.9Å; N304-M306 WeakPolarHBondContact O-CE 3.48Å
305	S	91.9	Very high	95	Very high	27 Å²	27	52.4 Å²	52.4	19%	0.189	28%	0.282	C	S	.	.			trans	-67.4	134.4	173.9	53.8	0	0	0	0	111	S267 R295 W297 S308	S267-S305 PolarHBondContact OG-N 2.76Å; R295-S305 PolarHBondContact NH1-OG 3.32Å; W297-S305 VanDerWaalsContact CZ3-N 3.28Å; S305-S308 PolarHBondContact OG-OG 2.95Å
306	M	94	Very high	95	Very high	88 Å²	88	53.2 Å²	53.2	43%	0.433	29%	0.289	S	S	.	.	S	Bend	trans	-80.1	-39.4	177.4	-65.1	-60.1	101.5	0	0	111.5	I296 D298 A301 N304	I296-M306 PolarHBondContact O-N 2.99Å; D298-M306 HydrophobicContact CB-CG 3.79Å; A301-M306 HydrophobicContact CB-CE 3.54Å; A301-M306 HydrophobicContact CB-SD 3.8Å; N304-M306 WeakPolarHBondContact O-CE 3.48Å
307	L	95.1	Very high	95	Very high	48 Å²	48	52.6 Å²	52.6	25%	0.251	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.3	175	-53.2	171.8	0	0	0	109.5	R295 I296 F346 K347	R295-L307 WeakPolarHBondContact CA-O 3.26Å; I296-L307 HydrophobicContact CB-CB 4.04Å; I296-L307 HydrophobicContact CB-CD1 4.49Å; I296-L307 HydrophobicContact CG1-CB 4.14Å; I296-L307 HydrophobicContact CG1-CD1 4.44Å; I296-L307 PolarHBondContact N-O 3.25Å; I296-L307 PolarHBondContact O-N 3.43Å; L307-F346 HydrophobicContact CB-CD1 3.86Å; L307-F346 HydrophobicContact CB-CE1 4.21Å; L307-F346 HydrophobicContact CD1-CD1 4.49Å; L307-K347 HydrophobicContact CD2-CD 4.23Å; L307-K347 HydrophobicContact CD2-CG 3.89Å
308	S	95.6	Very high	95.1	Very high	39 Å²	39	54 Å²	54	27%	0.273	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	136.4	177.2	-58	0	0	0	0	110	I294 S305	I294-S308 CarbonylContact O-C 3.59Å; I294-S308 WeakPolarHBondContact O-CA 3.43Å; S305-S308 PolarHBondContact OG-OG 2.95Å
309	A	96.9	Very high	95.1	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	100.6	160	0	0	0	0	0	106.2	S293 I294 A312 W341 F346	S293-A309 VanDerWaalsContact CA-O 3.23Å; S293-A309 WeakPolarHBondContact CA-O 3.49Å; S293-A309 WeakPolarHBondContact CB-O 3.43Å; I294-A309 PolarHBondContact N-O 2.75Å; I294-A309 PolarHBondContact O-N 2.89Å; A309-A312 HydrophobicContact CB-CB 4.19Å; A309-W341 HydrophobicContact CB-CE3 4.41Å; A309-W341 HydrophobicContact CB-CH2 4.46Å; A309-W341 HydrophobicContact CB-CZ3 4.01Å; A309-F346 HydrophobicContact CB-CE1 3.87Å; A309-F346 HydrophobicContact CB-CE2 3.99Å; A309-F346 HydrophobicContact CB-CZ 3.55Å
310	N	96.5	Very high	95.3	Very high	102 Å²	102	51.5 Å²	51.5	55%	0.545	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	151.7	174.7	-56.6	-39.5	0	0	0	109	A312	N310-A312 PolarHBondContact O-N 2.84Å
311	E	95.9	Very high	95.4	Very high	167 Å²	167	43.8 Å²	43.8	78%	0.78	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	36.9	-175.6	-53.6	178.8	141.4	0	0	111.1	Q292 H313	Q292-E311 PolarHBondContact O-N 2.68Å; E311-H313 PolarHBondContact O-N 3.44Å
312	A	97.6	Very high	95.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	25%	0.246	C	C	.	.	S	Bend	trans	-65.8	-32	-178.2	0	0	0	0	0	111.1	Q292 I294 A309 N310 I317 K339 W341	Q292-A312 PolarHBondContact O-N 2.82Å; I294-A312 HydrophobicContact CD1-CB 4.14Å; I294-A312 HydrophobicContact CG1-CB 4.06Å; A309-A312 HydrophobicContact CB-CB 4.19Å; N310-A312 PolarHBondContact O-N 2.84Å; A312-I317 HydrophobicContact CB-CD1 3.81Å; A312-K339 VanDerWaalsContact O-CD 3.26Å; A312-K339 WeakPolarHBondContact O-CD 3.38Å; A312-K339 PolarHBondContact O-NZ 3.03Å; A312-W341 HydrophobicContact CB-CH2 3.54Å; A312-W341 HydrophobicContact CB-CZ2 3.6Å; A312-W341 HydrophobicContact CB-CZ3 4.48Å; A312-W341 WeakPolarHBondContact O-CZ2 3.48Å
313	H	98.3	Very high	96.3	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.014	22%	0.219	C	C	.	.	S	Bend	trans	-127.5	164	169.7	-77.7	-105.9	0	0	0	109.9	E311 S315 I317 S331 D335 L337	E311-H313 PolarHBondContact O-N 3.44Å; H313-S315 VanDerWaalsContact C-N 3.26Å; H313-S315 WeakPolarHBondContact CB-O 3.28Å; H313-I317 HydrophobicContact CB-CD1 4.2Å; H313-I317 HydrophobicContact CB-CG1 3.76Å; H313-S331 PolarHBondContact NE2-OG 3.49Å; H313-D335 VanDerWaalsContact CB-OD2 3.27Å; H313-D335 WeakPolarHBondContact CB-OD2 3.49Å; H313-D335 IonicContact CE1-OD1 3.16Å; H313-D335 IonicContact CG-OD1 2.84Å; H313-D335 IonicContact CG-OD2 3.61Å; H313-D335 IonicContact ND1-OD1 2.77Å; H313-D335 PolarHBondContact ND1-OD1 3.14Å; H313-D335 IonicContact ND1-OD2 2.68Å; H313-D335 PolarHBondContact ND1-OD2 3.14Å; H313-L337 PolarHBondContact CE1-O 3.31Å
314	S	97.5	Very high	96.6	Very high	92 Å²	92	44.9 Å²	44.9	64%	0.643	24%	0.237	S	C	*	.	S	Bend	trans	-85	-4	174.7	52	0	0	0	0	113.3	D335	S314-D335 PolarHBondContact N-OD2 3.06Å; S314-D335 VanDerWaalsContact N-OD2 3.09Å; S314-D335 WeakPolarHBondContact OG-CB 3.24Å; S314-D335 PolarHBondContact OG-OD2 2.78Å
315	S	97.9	Very high	96.8	Very high	35 Å²	35	44.7 Å²	44.7	25%	0.245	24%	0.243	C	C	.	.	S	Bend	trans	-143.1	-177.1	177.2	-155.7	0	0	0	0	109.2	H313 D334	H313-S315 VanDerWaalsContact C-N 3.26Å; H313-S315 WeakPolarHBondContact CB-O 3.28Å; S315-D334 WeakPolarHBondContact OG-CB 3.48Å
316	D	98.3	Very high	97	Very high	47 Å²	47	47.3 Å²	47.3	25%	0.251	25%	0.252	S	S	.	.			trans	-49.9	140.8	177.9	-58.9	10.5	0	0	0	111.5	V290 G333 D334	V290-D316 HydrophobicContact CB-CB 4.48Å; V290-D316 WeakPolarHBondContact CG1-OD2 3.22Å; V290-D316 HydrophobicContact CG2-CB 4.21Å; D316-G333 CarbonylContact O-C 3.55Å; D316-G333 WeakPolarHBondContact O-CA 3.44Å; D316-D334 HydrophobicContact CB-CB 4.34Å; D316-D334 PolarHBondContact O-N 2.86Å
317	I	98.8	Very high	97	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.1	176.9	-50.6	173.8	0	0	0	108	E273 C288 S289 I294 A312 H313 G332	E273-I317 WeakPolarHBondContact CB-O 3.45Å; E273-I317 WeakPolarHBondContact CG-O 3.4Å; C288-I317 HydrophobicContact CB-CB 3.86Å; C288-I317 HydrophobicContact CB-CG2 3.48Å; C288-I317 VanDerWaalsContact CB-CG2 3.48Å; C288-I317 PolarHBondContact SG-O 2.88Å; S289-I317 PolarHBondContact O-N 2.83Å; I294-I317 HydrophobicContact CD1-CD1 4.42Å; I294-I317 HydrophobicContact CG1-CD1 3.77Å; A312-I317 HydrophobicContact CB-CD1 3.81Å; H313-I317 HydrophobicContact CB-CD1 4.2Å; H313-I317 HydrophobicContact CB-CG1 3.76Å; I317-G332 WeakPolarHBondContact CG2-O 3.44Å
318	N	98.4	Very high	97.2	Very high	29 Å²	29	44.7 Å²	44.7	16%	0.155	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-34.3	-170	-58.3	-29	0	0	0	112.4	E273 G332 D334 I362	E273-N318 VanDerWaalsContact CB-O 3.3Å; E273-N318 WeakPolarHBondContact CB-O 3.35Å; N318-G332 PolarHBondContact N-O 3.48Å; N318-D334 PolarHBondContact ND2-OD1 3.06Å; N318-D334 PolarHBondContact OD1-OD1 2.99Å; N318-I362 PolarHBondContact ND2-O 3.03Å
319	V	98.8	Very high	97.3	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	147.5	-168.2	-69	0	0	0	0	112.7	D274 S331 G332 I362 T363 V365	D274-V319 WeakPolarHBondContact OD2-CA 3.18Å; V319-S331 WeakPolarHBondContact O-CA 3.14Å; V319-G332 PolarHBondContact N-O 2.75Å; V319-G332 PolarHBondContact O-N 3.25Å; V319-I362 HydrophobicContact CG2-CG2 3.89Å; V319-T363 WeakPolarHBondContact CG1-O 3.26Å; V319-V365 HydrophobicContact CB-CG2 4.02Å; V319-V365 HydrophobicContact CG2-CB 4.29Å; V319-V365 HydrophobicContact CG2-CG1 3.87Å; V319-V365 HydrophobicContact CG2-CG2 3.74Å
320	I	98.9	Very high	97.4	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.3	172.5	52	166.6	0	0	0	111.6	D274 Q276 A286 C288 L329 L330	D274-I320 HydrophobicContact CB-CG1 4Å; D274-I320 PolarHBondContact OD2-N 3.03Å; D274-I320 VanDerWaalsContact OD2-O 3.13Å; Q276-I320 HydrophobicContact CB-CD1 4.3Å; Q276-I320 HydrophobicContact CG-CD1 4.39Å; Q276-I320 HydrophobicContact CG-CG1 4.17Å; Q276-I320 WeakPolarHBondContact CG-O 3.38Å; A286-I320 HydrophobicContact CB-CD1 3.79Å; C288-I320 HydrophobicContact CB-CG2 3.69Å; I320-L329 HydrophobicContact CB-CD1 4.37Å; I320-L329 HydrophobicContact CG2-CD2 4.32Å; I320-L330 CarbonylContact C-O 3.55Å; I320-L330 WeakPolarHBondContact CA-O 3.28Å
321	S	98.7	Very high	97.5	Very high	8 Å²	8	38 Å²	38	6%	0.056	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.7	171.2	-174.7	0	0	0	0	110.7	L330 V365 E366 W367	S321-L330 PolarHBondContact N-O 2.92Å; S321-L330 PolarHBondContact O-N 2.79Å; S321-V365 WeakPolarHBondContact CB-O 3.06Å; S321-E366 WeakPolarHBondContact OG-CA 3.23Å; S321-W367 VanDerWaalsContact O-CD1 3.22Å; S321-W367 PolarHBondContact O-NE1 2.99Å; S321-W367 VanDerWaalsContact O-NE1 3.12Å; S321-W367 PolarHBondContact OG-N 2.77Å; S321-W367 VanDerWaalsContact OG-N 3.12Å
322	W	98.3	Very high	97.6	Very high	20 Å²	20	30 Å²	30	8%	0.076	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.9	179.9	-154.1	-36.5	0	0	0	110.2	Q276 P279 V284 A286 I296 R324 L329 L343	Q276-W322 HydrophobicContact CB-CB 4.43Å; P279-W322 HydrophobicContact CG-CG 4.15Å; V284-W322 HydrophobicContact CG1-CH2 3.78Å; V284-W322 HydrophobicContact CG1-CZ3 4.43Å; A286-W322 HydrophobicContact CB-CE3 3.79Å; A286-W322 HydrophobicContact CB-CZ3 3.58Å; I296-W322 HydrophobicContact CD1-CH2 4.42Å; W322-R324 PolarHBondContact O-N 3.16Å; W322-L329 HydrophobicContact CB-CD1 3.94Å; W322-L329 HydrophobicContact CD2-CD1 4.2Å; W322-L329 HydrophobicContact CE3-CD1 4.39Å; W322-L329 HydrophobicContact CG-CD1 4.03Å; W322-L343 VanDerWaalsContact CE2-CD1 3.44Å; W322-L343 HydrophobicContact CH2-CD1 4.28Å; W322-L343 HydrophobicContact CZ2-CD1 3.27Å
323	N	98.1	Very high	97.7	Very high	3 Å²	3	30 Å²	30	2%	0.016	16%	0.164	C	C	.	.			trans	-62.2	132.8	176.8	-169.9	-62.4	0	0	0	110.6	P279 S325 E326 F328 W367 S372	P279-N323 VanDerWaalsContact CG-O 3.27Å; P279-N323 WeakPolarHBondContact CG-O 3.25Å; N323-S325 VanDerWaalsContact C-N 3.35Å; N323-S325 PolarHBondContact OD1-N 2.93Å; N323-E326 WeakPolarHBondContact CB-O 3.33Å; N323-E326 PolarHBondContact OD1-N 2.8Å; N323-F328 HydrophobicContact CB-CB 3.99Å; N323-F328 VanDerWaalsContact CB-O 3.3Å; N323-F328 WeakPolarHBondContact CB-O 3.43Å; N323-F328 PolarHBondContact N-O 3.38Å; N323-W367 HydrophobicContact CB-CD2 3.97Å; N323-W367 HydrophobicContact CB-CG 3.94Å; N323-W367 VanDerWaalsContact ND2-CD2 3.34Å; N323-S372 PolarHBondContact ND2-O 2.85Å
324	R	94.3	Very high	97.7	Very high	133 Å²	133	32.9 Å²	32.9	50%	0.502	18%	0.179	S	C	.	.	S	Bend	trans	-76.6	-21.1	-173	-63	-175.3	-175.8	-113.8	0.9	113.9	P279 W322	P279-R324 HydrophobicContact CB-CB 4.39Å; P279-R324 HydrophobicContact CB-CG 4.37Å; W322-R324 PolarHBondContact O-N 3.16Å
325	S	93	Very high	97.7	Very high	86 Å²	86	29.6 Å²	29.6	60%	0.601	16%	0.155	S	C	*	.	S	Bend	trans	-116.5	-37.6	-171.3	-59.7	0	0	0	0	112.5	N323	N323-S325 VanDerWaalsContact C-N 3.35Å; N323-S325 PolarHBondContact OD1-N 2.93Å
326	E	95.5	Very high	97.7	Very high	81 Å²	81	28 Å²	28	38%	0.379	14%	0.144	S	C	.	.	S	Bend	trans	-109.4	156.1	-177.8	-68.2	-60.2	148.3	0	0	111.4	N323 F328	N323-E326 WeakPolarHBondContact CB-O 3.33Å; N323-E326 PolarHBondContact OD1-N 2.8Å; E326-F328 HydrophobicContact CB-CD2 3.57Å; E326-F328 HydrophobicContact CB-CE2 3.88Å; E326-F328 HydrophobicContact CB-CG 4.31Å; E326-F328 HydrophobicContact CG-CD2 4.39Å; E326-F328 HydrophobicContact CG-CE2 4.32Å; E326-F328 PolarHBondContact O-N 3.22Å
327	P	95.6	Very high	97.6	Very high	38 Å²	38	27.3 Å²	27.3	25%	0.247	14%	0.14	C	C	.	.	S	Bend	trans	-77.9	43.6	-179.3	35.3	-37	0	0	0	112.1	L343 R344	P327-L343 HydrophobicContact CB-CB 4.36Å; P327-L343 WeakPolarHBondContact O-CB 3.41Å; P327-L343 WeakPolarHBondContact O-CG 3.4Å; P327-L343 PolarHBondContact O-N 3.07Å; P327-R344 HydrophobicContact CB-CG 4.4Å; P327-R344 HydrophobicContact CG-CG 4.13Å
328	F	97.7	Very high	97.6	Very high	44 Å²	44	27.4 Å²	27.4	19%	0.193	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.5	179.5	-62.1	-45.1	0	0	0	112.1	N323 E326 V340 W341 D342 W367	N323-F328 HydrophobicContact CB-CB 3.99Å; N323-F328 VanDerWaalsContact CB-O 3.3Å; N323-F328 WeakPolarHBondContact CB-O 3.43Å; N323-F328 PolarHBondContact N-O 3.38Å; E326-F328 HydrophobicContact CB-CD2 3.57Å; E326-F328 HydrophobicContact CB-CE2 3.88Å; E326-F328 HydrophobicContact CB-CG 4.31Å; E326-F328 HydrophobicContact CG-CD2 4.39Å; E326-F328 HydrophobicContact CG-CE2 4.32Å; E326-F328 PolarHBondContact O-N 3.22Å; F328-V340 HydrophobicContact CB-CG1 4.28Å; F328-V340 HydrophobicContact CD1-CG1 4.29Å; F328-V340 HydrophobicContact CG-CG1 4.28Å; F328-W341 CarbonylContact C-O 3.58Å; F328-W341 VanDerWaalsContact CA-O 3.28Å; F328-W341 WeakPolarHBondContact CA-O 3.18Å; F328-D342 HydrophobicContact CD1-CB 4.18Å; F328-D342 HydrophobicContact CE1-CB 3.99Å; F328-W367 HydrophobicContact CB-CH2 4.45Å; F328-W367 HydrophobicContact CB-CZ2 3.96Å
329	L	98.4	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.9	166.5	-168.5	78.1	0	0	0	107.9	A286 I294 I320 W322 V340 W341	A286-L329 HydrophobicContact CB-CD1 4.29Å; A286-L329 HydrophobicContact CB-CD2 4.47Å; I294-L329 HydrophobicContact CD1-CD2 4.41Å; I294-L329 HydrophobicContact CG2-CD2 3.52Å; I320-L329 HydrophobicContact CB-CD1 4.37Å; I320-L329 HydrophobicContact CG2-CD2 4.32Å; W322-L329 HydrophobicContact CB-CD1 3.94Å; W322-L329 HydrophobicContact CD2-CD1 4.2Å; W322-L329 HydrophobicContact CE3-CD1 4.39Å; W322-L329 HydrophobicContact CG-CD1 4.03Å; L329-V340 CarbonylContact O-C 3.52Å; L329-V340 WeakPolarHBondContact O-CA 3.48Å; L329-W341 HydrophobicContact CB-CB 4.24Å; L329-W341 PolarHBondContact N-O 2.87Å; L329-W341 PolarHBondContact O-N 3.17Å
330	L	98.8	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.6	170.6	175.3	61.2	0	0	0	108.1	I320 S321 L338 K339 V340 V365 W367 F375	I320-L330 CarbonylContact C-O 3.55Å; I320-L330 WeakPolarHBondContact CA-O 3.28Å; S321-L330 PolarHBondContact N-O 2.92Å; S321-L330 PolarHBondContact O-N 2.79Å; L330-L338 HydrophobicContact CD1-CB 4.33Å; L330-K339 CarbonylContact C-O 3.49Å; L330-K339 WeakPolarHBondContact CA-O 3.37Å; L330-V340 HydrophobicContact CD1-CG2 4.17Å; L330-V365 HydrophobicContact CD2-CB 3.72Å; L330-V365 HydrophobicContact CD2-CG1 4.26Å; L330-V365 HydrophobicContact CD2-CG2 4.29Å; L330-V365 HydrophobicContact CG-CB 3.98Å; L330-V365 HydrophobicContact CG-CG1 4.29Å; L330-V365 HydrophobicContact CG-CG2 4.13Å; L330-W367 HydrophobicContact CB-CZ2 3.99Å; L330-W367 VanDerWaalsContact CB-NE1 3.28Å; L330-F375 HydrophobicContact CD1-CD2 4.4Å; L330-F375 HydrophobicContact CD1-CE2 4.26Å; L330-F375 HydrophobicContact CD2-CB 3.84Å; L330-F375 HydrophobicContact CD2-CD2 3.39Å; L330-F375 HydrophobicContact CD2-CE2 4.04Å; L330-F375 HydrophobicContact CD2-CG 3.66Å
331	S	98.8	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.3	172.6	65.1	0	0	0	0	111.9	H313 V319 L338 K339 W341	H313-S331 PolarHBondContact NE2-OG 3.49Å; V319-S331 WeakPolarHBondContact O-CA 3.14Å; S331-L338 WeakPolarHBondContact O-CA 3.5Å; S331-K339 PolarHBondContact N-O 3.34Å; S331-K339 PolarHBondContact O-N 3.11Å; S331-W341 PolarHBondContact OG-NE1 3.44Å
332	G	98.8	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143	173.8	0	0	0	0	0	111.1	I317 N318 V319	I317-G332 WeakPolarHBondContact CG2-O 3.44Å; N318-G332 PolarHBondContact N-O 3.48Å; V319-G332 PolarHBondContact N-O 2.75Å; V319-G332 PolarHBondContact O-N 3.25Å
333	G	98.1	Very high	97.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	-180	-178.7	0	0	0	0	0	114.4	D316 D335 G336 I362	D316-G333 CarbonylContact O-C 3.55Å; D316-G333 WeakPolarHBondContact O-CA 3.44Å; G333-D335 PolarHBondContact O-N 2.99Å; G333-G336 PolarHBondContact O-N 2.88Å; G333-I362 PolarHBondContact O-N 2.95Å; G333-I362 VanDerWaalsContact O-N 3.09Å
334	D	98.5	Very high	97.2	Very high	64 Å²	64	35.6 Å²	35.6	34%	0.342	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.2	177.9	-88.2	13.9	0	0	0	113.3	S315 D316 N318 G336 P361	S315-D334 WeakPolarHBondContact OG-CB 3.48Å; D316-D334 HydrophobicContact CB-CB 4.34Å; D316-D334 PolarHBondContact O-N 2.86Å; N318-D334 PolarHBondContact ND2-OD1 3.06Å; N318-D334 PolarHBondContact OD1-OD1 2.99Å; D334-G336 PolarHBondContact O-N 3.03Å; D334-P361 WeakPolarHBondContact OD1-CB 3.22Å
335	D	97.9	Very high	97.2	Very high	24 Å²	24	34.7 Å²	34.7	13%	0.128	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-1.5	169.9	60.9	9.4	0	0	0	113	H313 S314 G333 L337 K356	H313-D335 VanDerWaalsContact CB-OD2 3.27Å; H313-D335 WeakPolarHBondContact CB-OD2 3.49Å; H313-D335 IonicContact CE1-OD1 3.16Å; H313-D335 IonicContact CG-OD1 2.84Å; H313-D335 IonicContact CG-OD2 3.61Å; H313-D335 IonicContact ND1-OD1 2.77Å; H313-D335 PolarHBondContact ND1-OD1 3.14Å; H313-D335 IonicContact ND1-OD2 2.68Å; H313-D335 PolarHBondContact ND1-OD2 3.14Å; S314-D335 PolarHBondContact N-OD2 3.06Å; S314-D335 VanDerWaalsContact N-OD2 3.09Å; S314-D335 WeakPolarHBondContact OG-CB 3.24Å; S314-D335 PolarHBondContact OG-OD2 2.78Å; G333-D335 PolarHBondContact O-N 2.99Å; D335-L337 HydrophobicContact CB-CD1 4.48Å; D335-L337 PolarHBondContact O-N 2.77Å; D335-L337 WeakPolarHBondContact OD1-CB 3.34Å; D335-L337 PolarHBondContact OD1-N 3Å; D335-L337 VanDerWaalsContact OD1-N 3.13Å; D335-K356 PolarHBondContact O-NZ 3.49Å
336	G	97.3	Very high	97.2	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.01	14%	0.144	C	C	.	.			trans	62.7	20.2	-178.4	0	0	0	0	0	113	G333 D334 K356 G360	G333-G336 PolarHBondContact O-N 2.88Å; D334-G336 PolarHBondContact O-N 3.03Å; G336-K356 WeakPolarHBondContact O-CD 3.35Å; G336-K356 PolarHBondContact O-NZ 2.81Å; G336-G360 VanDerWaalsContact CA-O 3.26Å; G336-G360 WeakPolarHBondContact CA-O 3.35Å
337	L	98	Very high	97	Very high	33 Å²	33	35.4 Å²	35.4	17%	0.173	16%	0.163	C	C	.	.			trans	-93.9	141.5	175.3	-70.9	169.3	0	0	0	110.4	H313 D335 K339 F355 K356	H313-L337 PolarHBondContact CE1-O 3.31Å; D335-L337 HydrophobicContact CB-CD1 4.48Å; D335-L337 PolarHBondContact O-N 2.77Å; D335-L337 WeakPolarHBondContact OD1-CB 3.34Å; D335-L337 PolarHBondContact OD1-N 3Å; D335-L337 VanDerWaalsContact OD1-N 3.13Å; L337-K339 HydrophobicContact CB-CG 4.49Å; L337-F355 WeakPolarHBondContact CA-O 3.32Å; L337-K356 HydrophobicContact CD2-CB 3.6Å; L337-K356 HydrophobicContact CD2-CD 3.71Å; L337-K356 HydrophobicContact CD2-CG 4.01Å; L337-K356 HydrophobicContact CG-CD 4.2Å
338	L	98.5	Very high	96.8	Very high	1 Å²	1	36 Å²	36	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.6	162.1	-57.4	170.6	0	0	0	107.8	L330 S331 S354 F355 I362 V365 F375 A377 W387	L330-L338 HydrophobicContact CD1-CB 4.33Å; S331-L338 WeakPolarHBondContact O-CA 3.5Å; L338-S354 CarbonylContact O-C 3.5Å; L338-S354 VanDerWaalsContact O-CA 3.26Å; L338-S354 WeakPolarHBondContact O-CA 3.49Å; L338-F355 HydrophobicContact CB-CB 4.28Å; L338-F355 HydrophobicContact CB-CD2 4.33Å; L338-F355 PolarHBondContact N-O 2.67Å; L338-F355 PolarHBondContact O-N 2.88Å; L338-I362 HydrophobicContact CD2-CD1 3.85Å; L338-I362 HydrophobicContact CD2-CG1 3.87Å; L338-I362 HydrophobicContact CD2-CG2 3.85Å; L338-I362 HydrophobicContact CG-CD1 4.25Å; L338-V365 HydrophobicContact CD2-CG1 3.65Å; L338-F375 HydrophobicContact CD1-CE2 4.07Å; L338-A377 HydrophobicContact CD1-CB 3.57Å; L338-A377 HydrophobicContact CD2-CB 3.56Å; L338-A377 HydrophobicContact CG-CB 4.22Å; L338-W387 HydrophobicContact CD1-CZ2 4.2Å
339	K	98.6	Very high	96.5	Very high	27 Å²	27	35.5 Å²	35.5	12%	0.117	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.2	-179.7	-69.8	-176.4	-174.5	-177.2	0	111.1	A312 L330 S331 L337 W341 P351 A353	A312-K339 VanDerWaalsContact O-CD 3.26Å; A312-K339 WeakPolarHBondContact O-CD 3.38Å; A312-K339 PolarHBondContact O-NZ 3.03Å; L330-K339 CarbonylContact C-O 3.49Å; L330-K339 WeakPolarHBondContact CA-O 3.37Å; S331-K339 PolarHBondContact N-O 3.34Å; S331-K339 PolarHBondContact O-N 3.11Å; L337-K339 HydrophobicContact CB-CG 4.49Å; K339-W341 HydrophobicContact CB-CZ2 4.04Å; K339-W341 HydrophobicContact CD-CH2 4.49Å; K339-W341 HydrophobicContact CD-CZ2 3.85Å; K339-W341 PolarHBondContact O-NE1 3.26Å; K339-P351 HydrophobicContact CB-CB 3.99Å; K339-P351 HydrophobicContact CD-CB 4.38Å; K339-P351 HydrophobicContact CD-CG 4.08Å; K339-P351 HydrophobicContact CG-CB 4.33Å; K339-P351 HydrophobicContact CG-CG 4.35Å; K339-A353 WeakPolarHBondContact CA-O 3.3Å
340	V	98.4	Very high	96.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.6	176.1	-177.4	0	0	0	0	108.9	F328 L329 L330 P351 V352 A353 F355 W367 L389	F328-V340 HydrophobicContact CB-CG1 4.28Å; F328-V340 HydrophobicContact CD1-CG1 4.29Å; F328-V340 HydrophobicContact CG-CG1 4.28Å; L329-V340 CarbonylContact O-C 3.52Å; L329-V340 WeakPolarHBondContact O-CA 3.48Å; L330-V340 HydrophobicContact CD1-CG2 4.17Å; V340-P351 CarbonylContact O-C 3.5Å; V340-P351 VanDerWaalsContact O-CA 3.25Å; V340-P351 WeakPolarHBondContact O-CA 3.42Å; V340-P351 VanDerWaalsContact O-CB 3.28Å; V340-P351 WeakPolarHBondContact O-CB 3.03Å; V340-V352 HydrophobicContact CB-CG2 4.15Å; V340-V352 HydrophobicContact CG1-CG2 3.85Å; V340-V352 WeakPolarHBondContact O-CG2 3.41Å; V340-V352 PolarHBondContact O-N 3.23Å; V340-A353 HydrophobicContact CB-CB 4.14Å; V340-A353 HydrophobicContact CG2-CB 4.28Å; V340-A353 PolarHBondContact N-O 2.8Å; V340-F355 HydrophobicContact CG2-CE2 4.1Å; V340-W367 HydrophobicContact CG1-CH2 4.29Å; V340-W367 HydrophobicContact CG1-CZ2 4.14Å; V340-W367 HydrophobicContact CG2-CH2 4.48Å; V340-W367 HydrophobicContact CG2-CZ2 4.45Å; V340-L389 HydrophobicContact CG1-CD1 4.38Å; V340-L389 HydrophobicContact CG2-CD1 4.19Å
341	W	98.4	Very high	96.2	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.3	-176	-53.3	85.2	0	0	0	110.3	I294 A309 A312 F328 L329 S331 K339 F346 P351	I294-W341 HydrophobicContact CD1-CD2 4.33Å; I294-W341 HydrophobicContact CD1-CZ2 4.05Å; A309-W341 HydrophobicContact CB-CE3 4.41Å; A309-W341 HydrophobicContact CB-CH2 4.46Å; A309-W341 HydrophobicContact CB-CZ3 4.01Å; A312-W341 HydrophobicContact CB-CH2 3.54Å; A312-W341 HydrophobicContact CB-CZ2 3.6Å; A312-W341 HydrophobicContact CB-CZ3 4.48Å; A312-W341 WeakPolarHBondContact O-CZ2 3.48Å; F328-W341 CarbonylContact C-O 3.58Å; F328-W341 VanDerWaalsContact CA-O 3.28Å; F328-W341 WeakPolarHBondContact CA-O 3.18Å; L329-W341 HydrophobicContact CB-CB 4.24Å; L329-W341 PolarHBondContact N-O 2.87Å; L329-W341 PolarHBondContact O-N 3.17Å; S331-W341 PolarHBondContact OG-NE1 3.44Å; K339-W341 HydrophobicContact CB-CZ2 4.04Å; K339-W341 HydrophobicContact CD-CH2 4.49Å; K339-W341 HydrophobicContact CD-CZ2 3.85Å; K339-W341 PolarHBondContact O-NE1 3.26Å; W341-F346 HydrophobicContact CB-CD2 4.22Å; W341-F346 HydrophobicContact CB-CE2 4.23Å; W341-F346 HydrophobicContact CD2-CE2 4.39Å; W341-F346 HydrophobicContact CE3-CD2 4.49Å; W341-F346 HydrophobicContact CE3-CE2 4.28Å; W341-F346 HydrophobicContact CG-CE2 4.38Å; W341-P351 HydrophobicContact CD2-CB 4.22Å; W341-P351 HydrophobicContact CE3-CB 4.24Å; W341-P351 HydrophobicContact CH2-CB 4.27Å; W341-P351 HydrophobicContact CH2-CG 4.41Å; W341-P351 HydrophobicContact CZ2-CB 4.26Å; W341-P351 HydrophobicContact CZ3-CB 4.28Å
342	D	96.8	Very high	96	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.043	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	114.1	168.7	-176.4	-14.9	0	0	0	109.9	F328 R344 Q345 F346 V352	F328-D342 HydrophobicContact CD1-CB 4.18Å; F328-D342 HydrophobicContact CE1-CB 3.99Å; D342-R344 PolarHBondContact O-N 2.9Å; D342-R344 VanDerWaalsContact O-N 3.16Å; D342-R344 WeakPolarHBondContact OD1-CB 3.5Å; D342-R344 VanDerWaalsContact OD1-CG 3.32Å; D342-R344 WeakPolarHBondContact OD1-CG 3.49Å; D342-R344 IonicContact OD1-CZ 3.15Å; D342-R344 PolarHBondContact OD1-N 2.7Å; D342-R344 IonicContact OD1-NE 3.62Å; D342-R344 PolarHBondContact OD1-NE 3.33Å; D342-R344 IonicContact OD1-NH2 3.23Å; D342-R344 IonicContact OD2-CZ 3.79Å; D342-R344 VanDerWaalsContact OD2-CZ 3.28Å; D342-R344 IonicContact OD2-NE 2.91Å; D342-R344 PolarHBondContact OD2-NE 3Å; D342-R344 IonicContact OD2-NH2 3.74Å; D342-R344 PolarHBondContact OD2-NH2 3.03Å; D342-Q345 CarbonylContact O-C 3.54Å; D342-Q345 PolarHBondContact O-N 3.17Å; D342-F346 PolarHBondContact O-N 2.93Å; D342-V352 HydrophobicContact CB-CG1 3.67Å; D342-V352 HydrophobicContact CB-CG2 4.42Å
343	L	95.5	Very high	95.9	Very high	36 Å²	36	50.8 Å²	50.8	19%	0.188	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.2	-178	-66.9	175.6	0	0	0	113.1	I296 W322 P327 Q345 F346	I296-L343 HydrophobicContact CD1-CD2 4.04Å; I296-L343 HydrophobicContact CG1-CD2 4.44Å; W322-L343 VanDerWaalsContact CE2-CD1 3.44Å; W322-L343 HydrophobicContact CH2-CD1 4.28Å; W322-L343 HydrophobicContact CZ2-CD1 3.27Å; P327-L343 HydrophobicContact CB-CB 4.36Å; P327-L343 WeakPolarHBondContact O-CB 3.41Å; P327-L343 WeakPolarHBondContact O-CG 3.4Å; P327-L343 PolarHBondContact O-N 3.07Å; L343-Q345 PolarHBondContact O-N 2.98Å; L343-F346 HydrophobicContact CD2-CD2 3.88Å; L343-F346 HydrophobicContact CD2-CE2 4.32Å; L343-F346 HydrophobicContact CD2-CG 4.27Å
344	R	94.3	Very high	95.8	Very high	169 Å²	169	53.7 Å²	53.7	64%	0.638	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-25.7	174.4	-56	170.1	-67.4	-161.2	1.2	111.8	P327 D342	P327-R344 HydrophobicContact CB-CG 4.4Å; P327-R344 HydrophobicContact CG-CG 4.13Å; D342-R344 PolarHBondContact O-N 2.9Å; D342-R344 VanDerWaalsContact O-N 3.16Å; D342-R344 WeakPolarHBondContact OD1-CB 3.5Å; D342-R344 VanDerWaalsContact OD1-CG 3.32Å; D342-R344 WeakPolarHBondContact OD1-CG 3.49Å; D342-R344 IonicContact OD1-CZ 3.15Å; D342-R344 PolarHBondContact OD1-N 2.7Å; D342-R344 IonicContact OD1-NE 3.62Å; D342-R344 PolarHBondContact OD1-NE 3.33Å; D342-R344 IonicContact OD1-NH2 3.23Å; D342-R344 IonicContact OD2-CZ 3.79Å; D342-R344 VanDerWaalsContact OD2-CZ 3.28Å; D342-R344 IonicContact OD2-NE 2.91Å; D342-R344 PolarHBondContact OD2-NE 3Å; D342-R344 IonicContact OD2-NH2 3.74Å; D342-R344 PolarHBondContact OD2-NH2 3.03Å
345	Q	93.7	Very high	95.6	Very high	113 Å²	113	51.6 Å²	51.6	53%	0.528	26%	0.264	S	S	.	.	S	Bend	trans	-116.5	9.8	-178.4	-54.5	-172.2	25.8	0	0	112.8	D342 L343 K347 A348	D342-Q345 CarbonylContact O-C 3.54Å; D342-Q345 PolarHBondContact O-N 3.17Å; L343-Q345 PolarHBondContact O-N 2.98Å; Q345-K347 PolarHBondContact O-N 2.85Å; Q345-A348 WeakPolarHBondContact O-CB 3.26Å; Q345-A348 PolarHBondContact O-N 3.23Å
346	F	93.9	Very high	95.4	Very high	3 Å²	3	56.2 Å²	56.2	1%	0.013	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-53.8	-35.3	-172.9	-160.8	-107.2	0	0	0	114.1	I294 I296 L307 A309 W341 D342 L343 A348 G349	I294-F346 HydrophobicContact CB-CZ 3.94Å; I294-F346 HydrophobicContact CG2-CE2 4.25Å; I294-F346 HydrophobicContact CG2-CZ 3.74Å; I296-F346 HydrophobicContact CG1-CD1 4.32Å; I296-F346 HydrophobicContact CG1-CE1 3.99Å; I296-F346 HydrophobicContact CG1-CZ 4.36Å; L307-F346 HydrophobicContact CB-CD1 3.86Å; L307-F346 HydrophobicContact CB-CE1 4.21Å; L307-F346 HydrophobicContact CD1-CD1 4.49Å; A309-F346 HydrophobicContact CB-CE1 3.87Å; A309-F346 HydrophobicContact CB-CE2 3.99Å; A309-F346 HydrophobicContact CB-CZ 3.55Å; W341-F346 HydrophobicContact CB-CD2 4.22Å; W341-F346 HydrophobicContact CB-CE2 4.23Å; W341-F346 HydrophobicContact CD2-CE2 4.39Å; W341-F346 HydrophobicContact CE3-CD2 4.49Å; W341-F346 HydrophobicContact CE3-CE2 4.28Å; W341-F346 HydrophobicContact CG-CE2 4.38Å; D342-F346 PolarHBondContact O-N 2.93Å; L343-F346 HydrophobicContact CD2-CD2 3.88Å; L343-F346 HydrophobicContact CD2-CE2 4.32Å; L343-F346 HydrophobicContact CD2-CG 4.27Å; F346-A348 PolarHBondContact O-N 2.98Å; F346-A348 VanDerWaalsContact O-N 3.15Å; F346-G349 PolarHBondContact O-N 3.09Å
347	K	90.4	Very high	95.1	Very high	180 Å²	180	57.8 Å²	57.8	78%	0.783	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-61.7	-20.4	177	-68.9	-175.7	179	178.9	0	114	L307 Q345 G349	L307-K347 HydrophobicContact CD2-CD 4.23Å; L307-K347 HydrophobicContact CD2-CG 3.89Å; Q345-K347 PolarHBondContact O-N 2.85Å; K347-G349 PolarHBondContact O-N 3.26Å
348	A	91.4	Very high	94.9	Very high	49 Å²	49	56.3 Å²	56.3	41%	0.405	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-71.2	-13.2	173.9	0	0	0	0	0	112.4	Q345 F346 R350	Q345-A348 WeakPolarHBondContact O-CB 3.26Å; Q345-A348 PolarHBondContact O-N 3.23Å; F346-A348 PolarHBondContact O-N 2.98Å; F346-A348 VanDerWaalsContact O-N 3.15Å; A348-R350 HydrophobicContact CB-CG 4.11Å; A348-R350 PolarHBondContact O-N 3.35Å
349	G	91.1	Very high	94.7	Very high	35 Å²	35	59.7 Å²	59.7	36%	0.361	32%	0.318	S	S	.	.			trans	65.5	23.7	176.1	0	0	0	0	0	113.7	F346 K347	F346-G349 PolarHBondContact O-N 3.09Å; K347-G349 PolarHBondContact O-N 3.26Å
350	R	94.3	Very high	94.6	Very high	173 Å²	173	59 Å²	59	65%	0.653	32%	0.318	S	S	*	.			trans	-127.5	139.4	179.8	65.1	179.1	64.5	130	0.2	111.3	A348	A348-R350 HydrophobicContact CB-CG 4.11Å; A348-R350 PolarHBondContact O-N 3.35Å
351	P	97	Very high	94.6	Very high	40 Å²	40	61.2 Å²	61.2	26%	0.26	33%	0.332	S	S	.	.			trans	-70.6	154	170.8	33.7	-37.7	0	0	0	110.2	K339 V340 W341	K339-P351 HydrophobicContact CB-CB 3.99Å; K339-P351 HydrophobicContact CD-CB 4.38Å; K339-P351 HydrophobicContact CD-CG 4.08Å; K339-P351 HydrophobicContact CG-CB 4.33Å; K339-P351 HydrophobicContact CG-CG 4.35Å; V340-P351 CarbonylContact O-C 3.5Å; V340-P351 VanDerWaalsContact O-CA 3.25Å; V340-P351 WeakPolarHBondContact O-CA 3.42Å; V340-P351 VanDerWaalsContact O-CB 3.28Å; V340-P351 WeakPolarHBondContact O-CB 3.03Å; W341-P351 HydrophobicContact CD2-CB 4.22Å; W341-P351 HydrophobicContact CE3-CB 4.24Å; W341-P351 HydrophobicContact CH2-CB 4.27Å; W341-P351 HydrophobicContact CH2-CG 4.41Å; W341-P351 HydrophobicContact CZ2-CB 4.26Å; W341-P351 HydrophobicContact CZ3-CB 4.28Å
352	V	96.2	Very high	94.6	Very high	78 Å²	78	61.1 Å²	61.1	47%	0.473	33%	0.332	S	S	.	.	S	Bend	trans	-85.5	-22.7	173.1	-66.5	0	0	0	0	112.4	V340 D342	V340-V352 HydrophobicContact CB-CG2 4.15Å; V340-V352 HydrophobicContact CG1-CG2 3.85Å; V340-V352 WeakPolarHBondContact O-CG2 3.41Å; V340-V352 PolarHBondContact O-N 3.23Å; D342-V352 HydrophobicContact CB-CG1 3.67Å; D342-V352 HydrophobicContact CB-CG2 4.42Å
353	A	95.2	Very high	94.7	Very high	29 Å²	29	62.5 Å²	62.5	24%	0.24	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.7	171.9	0	0	0	0	0	110.7	K339 V340 F355	K339-A353 WeakPolarHBondContact CA-O 3.3Å; V340-A353 HydrophobicContact CB-CB 4.14Å; V340-A353 HydrophobicContact CG2-CB 4.28Å; V340-A353 PolarHBondContact N-O 2.8Å; A353-F355 HydrophobicContact CB-CE2 3.87Å; A353-F355 HydrophobicContact CB-CZ 3.85Å
354	S	96.1	Very high	94.8	Very high	62 Å²	62	61.2 Å²	61.2	43%	0.434	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	132.4	175.1	-170.1	0	0	0	0	110.2	L338	L338-S354 CarbonylContact O-C 3.5Å; L338-S354 VanDerWaalsContact O-CA 3.26Å; L338-S354 WeakPolarHBondContact O-CA 3.49Å
355	F	95.3	Very high	95.1	Very high	19 Å²	19	53.6 Å²	53.6	8%	0.083	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.2	-177.1	-50.8	-81.3	0	0	0	110.1	L337 L338 V340 A353 F375 W387 L389 Q409	L337-F355 WeakPolarHBondContact CA-O 3.32Å; L338-F355 HydrophobicContact CB-CB 4.28Å; L338-F355 HydrophobicContact CB-CD2 4.33Å; L338-F355 PolarHBondContact N-O 2.67Å; L338-F355 PolarHBondContact O-N 2.88Å; V340-F355 HydrophobicContact CG2-CE2 4.1Å; A353-F355 HydrophobicContact CB-CE2 3.87Å; A353-F355 HydrophobicContact CB-CZ 3.85Å; F355-F375 HydrophobicContact CD2-CZ 4.11Å; F355-F375 HydrophobicContact CE2-CE1 4.34Å; F355-F375 HydrophobicContact CE2-CZ 4.02Å; F355-W387 HydrophobicContact CB-CH2 3.74Å; F355-W387 HydrophobicContact CB-CZ2 4.23Å; F355-W387 HydrophobicContact CB-CZ3 3.97Å; F355-W387 AromaticContact CD1-CE3 3.98Å; F355-W387 HydrophobicContact CD1-CE3 3.98Å; F355-W387 HydrophobicContact CD1-CH2 4.12Å; F355-W387 AromaticContact CD1-CZ3 3.47Å; F355-W387 HydrophobicContact CD1-CZ3 3.47Å; F355-W387 VanDerWaalsContact CD1-CZ3 3.47Å; F355-W387 HydrophobicContact CE1-CE3 4.28Å; F355-W387 HydrophobicContact CE1-CZ3 4.12Å; F355-W387 HydrophobicContact CG-CE3 4.2Å; F355-W387 HydrophobicContact CG-CH2 4.11Å; F355-W387 AromaticContact CG-CZ3 3.8Å; F355-W387 HydrophobicContact CG-CZ3 3.8Å; F355-L389 HydrophobicContact CE2-CD2 3.87Å; F355-L389 HydrophobicContact CZ-CD2 3.46Å; F355-L389 VanDerWaalsContact CZ-CD2 3.46Å; F355-Q409 HydrophobicContact CE1-CB 4.34Å; F355-Q409 HydrophobicContact CE1-CG 4.45Å
356	K	93	Very high	95.3	Very high	121 Å²	121	49.4 Å²	49.4	53%	0.526	29%	0.288	S	S	.	.			trans	-120.1	69.2	178.4	-171.9	50.5	-179	165.2	0	110.3	D335 G336 L337 H358	D335-K356 PolarHBondContact O-NZ 3.49Å; G336-K356 WeakPolarHBondContact O-CD 3.35Å; G336-K356 PolarHBondContact O-NZ 2.81Å; L337-K356 HydrophobicContact CD2-CB 3.6Å; L337-K356 HydrophobicContact CD2-CD 3.71Å; L337-K356 HydrophobicContact CD2-CG 4.01Å; L337-K356 HydrophobicContact CG-CD 4.2Å; K356-H358 PolarHBondContact NZ-O 2.73Å
357	Q	90.6	Very high	95.5	Very high	35 Å²	35	49.5 Å²	49.5	16%	0.164	29%	0.288	C	S	.	.			trans	-95.7	-38.7	173.5	-179.5	56.8	23.6	0	0	112.1	W387 L410 L413	Q357-W387 HydrophobicContact CB-CH2 3.82Å; Q357-W387 HydrophobicContact CB-CZ2 3.66Å; Q357-W387 HydrophobicContact CG-CZ2 4.26Å; Q357-L410 HydrophobicContact CG-CD2 4.22Å; Q357-L413 HydrophobicContact CG-CD2 4.24Å
358	H	94.6	Very high	95.8	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	25%	0.252	C	S	.	.			trans	-75.7	132.6	-176.6	-72.8	-81.2	0	0	0	112	K356 I362 D381 V383 S385	K356-H358 PolarHBondContact NZ-O 2.73Å; H358-I362 HydrophobicContact CB-CD1 3.55Å; H358-D381 WeakPolarHBondContact CA-OD2 3.46Å; H358-D381 WeakPolarHBondContact CB-OD2 3.43Å; H358-D381 IonicContact CE1-OD1 2.71Å; H358-D381 IonicContact CG-OD1 3.94Å; H358-D381 IonicContact CG-OD2 3.74Å; H358-D381 IonicContact ND1-OD1 3.3Å; H358-D381 PolarHBondContact ND1-OD1 3.25Å; H358-D381 IonicContact ND1-OD2 3.68Å; H358-D381 PolarHBondContact ND1-OD2 2.84Å; H358-D381 VanDerWaalsContact ND1-OD2 3.15Å; H358-V383 PolarHBondContact CE1-O 3.33Å; H358-V383 VanDerWaalsContact CE1-O 3.28Å; H358-S385 PolarHBondContact NE2-OG 2.9Å
359	G	93.9	Very high	95.9	Very high	72 Å²	72	40.3 Å²	40.3	74%	0.742	24%	0.242	S	C	*	.	S	Bend	trans	-80.7	-21.7	175.1	0	0	0	0	0	113.2	D381	G359-D381 PolarHBondContact N-OD2 3.15Å
360	G	96	Very high	96	Very high	12 Å²	12	43 Å²	43	12%	0.124	25%	0.251	C	S	.	.	S	Bend	trans	-116.3	176.3	178.9	0	0	0	0	0	114	G336	G336-G360 VanDerWaalsContact CA-O 3.26Å; G336-G360 WeakPolarHBondContact CA-O 3.35Å
361	P	98.4	Very high	96	Very high	47 Å²	47	37.8 Å²	37.8	31%	0.305	24%	0.237	S	C	.	.			trans	-49.4	138.4	169.4	-32.9	37.9	0	0	0	113.5	D334 T363 G379 A380	D334-P361 WeakPolarHBondContact OD1-CB 3.22Å; P361-T363 PolarHBondContact O-N 3.05Å; P361-G379 CarbonylContact O-C 3.58Å; P361-G379 VanDerWaalsContact O-CA 3.22Å; P361-G379 WeakPolarHBondContact O-CA 3.39Å; P361-A380 HydrophobicContact CB-CB 4.35Å; P361-A380 PolarHBondContact O-N 3.37Å
362	I	98.8	Very high	95.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	126.3	173.5	-52.7	-55.6	0	0	0	109.2	N318 V319 G333 L338 H358 V365 S378	N318-I362 PolarHBondContact ND2-O 3.03Å; V319-I362 HydrophobicContact CG2-CG2 3.89Å; G333-I362 PolarHBondContact O-N 2.95Å; G333-I362 VanDerWaalsContact O-N 3.09Å; L338-I362 HydrophobicContact CD2-CD1 3.85Å; L338-I362 HydrophobicContact CD2-CG1 3.87Å; L338-I362 HydrophobicContact CD2-CG2 3.85Å; L338-I362 HydrophobicContact CG-CD1 4.25Å; H358-I362 HydrophobicContact CB-CD1 3.55Å; I362-V365 HydrophobicContact CG2-CG1 3.62Å; I362-S378 WeakPolarHBondContact CG2-O 3.25Å
363	T	98.7	Very high	95.9	Very high	37 Å²	37	35.2 Å²	35.2	23%	0.227	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-29.8	-177.8	56.1	0	0	0	0	112.7	V319 P361 S378 A380 I420	V319-T363 WeakPolarHBondContact CG1-O 3.26Å; P361-T363 PolarHBondContact O-N 3.05Å; T363-S378 PolarHBondContact N-O 2.95Å; T363-S378 PolarHBondContact OG1-O 2.85Å; T363-S378 PolarHBondContact OG1-OG 2.84Å; T363-A380 HydrophobicContact CG2-CB 4.12Å; T363-I420 WeakPolarHBondContact CG2-O 3.07Å; T363-I420 PolarHBondContact OG1-O 3.18Å
364	S	98.8	Very high	96	Very high	9 Å²	9	34 Å²	34	6%	0.063	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	150.7	177.9	-161.5	0	0	0	0	111.9	A377 S378 I423	S364-A377 CarbonylContact O-C 3.53Å; S364-A377 VanDerWaalsContact O-CA 3.24Å; S364-A377 WeakPolarHBondContact O-CA 3.3Å; S364-S378 VanDerWaalsContact CB-OG 3.25Å; S364-S378 WeakPolarHBondContact CB-OG 3.05Å; S364-S378 PolarHBondContact N-O 2.66Å; S364-S378 PolarHBondContact N-OG 3Å; S364-S378 PolarHBondContact O-N 2.98Å; S364-I423 PolarHBondContact OG-N 3.13Å
365	V	98.9	Very high	96.1	Very high	9 Å²	9	31.1 Å²	31.1	6%	0.055	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	139.7	173.5	-63	0	0	0	0	109.7	V319 S321 L330 L338 I362 A376 A377	V319-V365 HydrophobicContact CB-CG2 4.02Å; V319-V365 HydrophobicContact CG2-CB 4.29Å; V319-V365 HydrophobicContact CG2-CG1 3.87Å; V319-V365 HydrophobicContact CG2-CG2 3.74Å; S321-V365 WeakPolarHBondContact CB-O 3.06Å; L330-V365 HydrophobicContact CD2-CB 3.72Å; L330-V365 HydrophobicContact CD2-CG1 4.26Å; L330-V365 HydrophobicContact CD2-CG2 4.29Å; L330-V365 HydrophobicContact CG-CB 3.98Å; L330-V365 HydrophobicContact CG-CG1 4.29Å; L330-V365 HydrophobicContact CG-CG2 4.13Å; L338-V365 HydrophobicContact CD2-CG1 3.65Å; I362-V365 HydrophobicContact CG2-CG1 3.62Å; V365-A376 WeakPolarHBondContact CA-O 3.38Å; V365-A377 HydrophobicContact CG1-CB 3.95Å
366	E	98.8	Very high	96.2	Very high	26 Å²	26	30.2 Å²	30.2	12%	0.121	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	130.2	173.3	-154.2	-166.8	169.7	0	0	113	S321 F375 A376 H424 W425	S321-E366 WeakPolarHBondContact OG-CA 3.23Å; E366-F375 CarbonylContact O-C 3.53Å; E366-F375 VanDerWaalsContact O-CA 3.3Å; E366-F375 WeakPolarHBondContact O-CA 3.4Å; E366-F375 WeakPolarHBondContact O-CB 3.49Å; E366-A376 PolarHBondContact N-O 2.87Å; E366-A376 PolarHBondContact O-N 3.29Å; E366-H424 WeakPolarHBondContact OE2-CA 3.47Å; E366-H424 IonicContact OE2-ND1 3.83Å; E366-W425 PolarHBondContact O-NE1 2.91Å; E366-W425 PolarHBondContact OE2-N 2.85Å
367	W	98.5	Very high	96.5	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.015	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	143	164.8	-71.2	100.5	0	0	0	111.1	S321 N323 F328 L330 V340 S372 F375 L389	S321-W367 VanDerWaalsContact O-CD1 3.22Å; S321-W367 PolarHBondContact O-NE1 2.99Å; S321-W367 VanDerWaalsContact O-NE1 3.12Å; S321-W367 PolarHBondContact OG-N 2.77Å; S321-W367 VanDerWaalsContact OG-N 3.12Å; N323-W367 HydrophobicContact CB-CD2 3.97Å; N323-W367 HydrophobicContact CB-CG 3.94Å; N323-W367 VanDerWaalsContact ND2-CD2 3.34Å; F328-W367 HydrophobicContact CB-CH2 4.45Å; F328-W367 HydrophobicContact CB-CZ2 3.96Å; L330-W367 HydrophobicContact CB-CZ2 3.99Å; L330-W367 VanDerWaalsContact CB-NE1 3.28Å; V340-W367 HydrophobicContact CG1-CH2 4.29Å; V340-W367 HydrophobicContact CG1-CZ2 4.14Å; V340-W367 HydrophobicContact CG2-CH2 4.48Å; V340-W367 HydrophobicContact CG2-CZ2 4.45Å; W367-S372 WeakPolarHBondContact CZ3-O 3.42Å; W367-F375 HydrophobicContact CD2-CB 4.05Å; W367-F375 HydrophobicContact CE3-CB 3.75Å; W367-F375 HydrophobicContact CE3-CD1 4.27Å; W367-F375 HydrophobicContact CE3-CG 4.46Å; W367-F375 HydrophobicContact CH2-CD1 4.01Å; W367-F375 HydrophobicContact CZ3-CB 4.16Å; W367-F375 AromaticContact CZ3-CD1 3.78Å; W367-F375 HydrophobicContact CZ3-CD1 3.78Å; W367-F375 HydrophobicContact CZ3-CG 4.4Å; W367-L389 HydrophobicContact CH2-CD1 3.55Å; W367-L389 HydrophobicContact CZ3-CD1 4.01Å
368	S	96.9	Very high	96.9	Very high	5 Å²	5	22.8 Å²	22.8	4%	0.035	16%	0.156	C	C	.	.			trans	-58.1	134.9	171.1	170	0	0	0	0	110.3	V370 D371 V374	S368-V370 PolarHBondContact O-N 2.87Å; S368-V370 WeakPolarHBondContact OG-CG2 3.35Å; S368-V370 PolarHBondContact OG-N 2.86Å; S368-D371 WeakPolarHBondContact CB-O 3.04Å; S368-D371 PolarHBondContact OG-N 3.29Å; S368-D371 VanDerWaalsContact OG-N 3.11Å; S368-V374 WeakPolarHBondContact CB-O 3.46Å; S368-V374 PolarHBondContact N-O 2.82Å
369	P	93.8	Very high	97	Very high	31 Å²	31	22.7 Å²	22.7	20%	0.201	16%	0.155	C	C	.	.	S	Bend	trans	-72.6	-14.7	178.8	28.4	-34.5	0	0	0	112.6	W425	P369-W425 HydrophobicContact CG-CB 3.95Å
370	V	91.8	Very high	97.2	Very high	91 Å²	91	22 Å²	22	55%	0.552	14%	0.142	S	C	*	.	S	Bend	trans	-113.1	-30.6	-175.2	-64.9	0	0	0	0	113.3	S368	S368-V370 PolarHBondContact O-N 2.87Å; S368-V370 WeakPolarHBondContact OG-CG2 3.35Å; S368-V370 PolarHBondContact OG-N 2.86Å
371	D	94.2	Very high	97.2	Very high	65 Å²	65	23.7 Å²	23.7	35%	0.348	15%	0.149	S	C	.	.			trans	-118.3	122.4	-178.7	-166.5	-30.5	0	0	0	110.9	S368 S373 V374	S368-D371 WeakPolarHBondContact CB-O 3.04Å; S368-D371 PolarHBondContact OG-N 3.29Å; S368-D371 VanDerWaalsContact OG-N 3.11Å; D371-S373 VanDerWaalsContact C-N 3.32Å; D371-S373 PolarHBondContact O-N 3.1Å; D371-S373 PolarHBondContact OD1-N 2.94Å; D371-S373 PolarHBondContact OD1-OG 2.76Å; D371-V374 HydrophobicContact CB-CB 4.08Å; D371-V374 HydrophobicContact CB-CG2 3.97Å
372	S	95.3	Very high	97.1	Very high	42 Å²	42	23.6 Å²	23.6	29%	0.294	15%	0.146	S	C	.	.	S	Bend	trans	-72.1	-18.5	-177.7	55.1	0	0	0	0	114.8	N323 W367	N323-S372 PolarHBondContact ND2-O 2.85Å; W367-S372 WeakPolarHBondContact CZ3-O 3.42Å
373	S	95.8	Very high	97	Very high	21 Å²	21	23.8 Å²	23.8	15%	0.147	15%	0.147	C	C	.	.	S	Bend	trans	-97.3	-13.4	179	63.5	0	0	0	0	113.4	D371 D388 L389	D371-S373 VanDerWaalsContact C-N 3.32Å; D371-S373 PolarHBondContact O-N 3.1Å; D371-S373 PolarHBondContact OD1-N 2.94Å; D371-S373 PolarHBondContact OD1-OG 2.76Å; S373-D388 WeakPolarHBondContact CB-OD1 3.46Å; S373-D388 PolarHBondContact OG-OD1 2.86Å; S373-L389 PolarHBondContact O-N 3.41Å
374	V	97.2	Very high	97	Very high	5 Å²	5	22 Å²	22	3%	0.03	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	136	-176.3	178.3	0	0	0	0	111.5	S368 D371 W387 D388 W425 V449	S368-V374 WeakPolarHBondContact CB-O 3.46Å; S368-V374 PolarHBondContact N-O 2.82Å; D371-V374 HydrophobicContact CB-CB 4.08Å; D371-V374 HydrophobicContact CB-CG2 3.97Å; V374-W387 WeakPolarHBondContact CA-O 3.3Å; V374-W387 WeakPolarHBondContact CG1-O 3.34Å; V374-D388 HydrophobicContact CG2-CB 4.13Å; V374-W425 HydrophobicContact CG1-CH2 4.24Å; V374-W425 HydrophobicContact CG1-CZ2 3.99Å; V374-V449 HydrophobicContact CG1-CG1 4.21Å; V374-V449 HydrophobicContact CG1-CG2 4.34Å
375	F	98.3	Very high	96.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	166.8	169.2	68.6	-91.5	0	0	0	111.2	L330 L338 F355 E366 W367 W387 L389	L330-F375 HydrophobicContact CD1-CD2 4.4Å; L330-F375 HydrophobicContact CD1-CE2 4.26Å; L330-F375 HydrophobicContact CD2-CB 3.84Å; L330-F375 HydrophobicContact CD2-CD2 3.39Å; L330-F375 HydrophobicContact CD2-CE2 4.04Å; L330-F375 HydrophobicContact CD2-CG 3.66Å; L338-F375 HydrophobicContact CD1-CE2 4.07Å; F355-F375 HydrophobicContact CD2-CZ 4.11Å; F355-F375 HydrophobicContact CE2-CE1 4.34Å; F355-F375 HydrophobicContact CE2-CZ 4.02Å; E366-F375 CarbonylContact O-C 3.53Å; E366-F375 VanDerWaalsContact O-CA 3.3Å; E366-F375 WeakPolarHBondContact O-CA 3.4Å; E366-F375 WeakPolarHBondContact O-CB 3.49Å; W367-F375 HydrophobicContact CD2-CB 4.05Å; W367-F375 HydrophobicContact CE3-CB 3.75Å; W367-F375 HydrophobicContact CE3-CD1 4.27Å; W367-F375 HydrophobicContact CE3-CG 4.46Å; W367-F375 HydrophobicContact CH2-CD1 4.01Å; W367-F375 HydrophobicContact CZ3-CB 4.16Å; W367-F375 AromaticContact CZ3-CD1 3.78Å; W367-F375 HydrophobicContact CZ3-CD1 3.78Å; W367-F375 HydrophobicContact CZ3-CG 4.4Å; F375-W387 HydrophobicContact CD1-CB 3.87Å; F375-W387 HydrophobicContact CD2-CB 4.06Å; F375-W387 AromaticContact CD2-CD1 3.76Å; F375-W387 HydrophobicContact CD2-CG 4.09Å; F375-W387 HydrophobicContact CE1-CB 3.44Å; F375-W387 VanDerWaalsContact CE1-CB 3.44Å; F375-W387 AromaticContact CE1-CG 3.99Å; F375-W387 HydrophobicContact CE1-CG 3.99Å; F375-W387 HydrophobicContact CE2-CB 3.65Å; F375-W387 AromaticContact CE2-CD1 3.2Å; F375-W387 HydrophobicContact CE2-CD2 4.11Å; F375-W387 AromaticContact CE2-CG 3.37Å; F375-W387 HydrophobicContact CE2-CG 3.37Å; F375-W387 AromaticContact CE2-NE1 3.83Å; F375-W387 HydrophobicContact CG-CB 4.16Å; F375-W387 HydrophobicContact CZ-CB 3.33Å; F375-W387 AromaticContact CZ-CD1 3.68Å; F375-W387 AromaticContact CZ-CD2 3.85Å; F375-W387 HydrophobicContact CZ-CD2 3.85Å; F375-W387 HydrophobicContact CZ-CE3 4.46Å; F375-W387 AromaticContact CZ-CG 3.32Å; F375-W387 HydrophobicContact CZ-CG 3.32Å; F375-W387 PolarHBondContact N-O 2.72Å; F375-W387 PolarHBondContact O-N 2.77Å; F375-L389 HydrophobicContact CD1-CG 4.34Å; F375-L389 HydrophobicContact CE1-CD1 4.36Å; F375-L389 HydrophobicContact CE1-CD2 3.81Å; F375-L389 HydrophobicContact CE1-CG 3.95Å
376	A	98.5	Very high	96.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	159.7	170.7	0	0	0	0	0	111.5	V365 E366 S385 Q386 I423 W425 M433	V365-A376 WeakPolarHBondContact CA-O 3.38Å; E366-A376 PolarHBondContact N-O 2.87Å; E366-A376 PolarHBondContact O-N 3.29Å; A376-S385 CarbonylContact C-O 3.6Å; A376-S385 WeakPolarHBondContact CA-O 3.34Å; A376-S385 WeakPolarHBondContact CB-O 3.26Å; A376-Q386 HydrophobicContact CB-CG 4.4Å; A376-I423 HydrophobicContact CB-CD1 3.81Å; A376-W425 HydrophobicContact CB-CZ2 3.83Å; A376-M433 HydrophobicContact CB-CE 3.3Å; A376-M433 HydrophobicContact CB-SD 3.75Å
377	A	98.6	Very high	96.8	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	151.7	174.8	0	0	0	0	0	110.9	L338 S364 V365 V384 S385	L338-A377 HydrophobicContact CD1-CB 3.57Å; L338-A377 HydrophobicContact CD2-CB 3.56Å; L338-A377 HydrophobicContact CG-CB 4.22Å; S364-A377 CarbonylContact O-C 3.53Å; S364-A377 VanDerWaalsContact O-CA 3.24Å; S364-A377 WeakPolarHBondContact O-CA 3.3Å; V365-A377 HydrophobicContact CG1-CB 3.95Å; A377-V384 CarbonylContact O-C 3.45Å; A377-V384 VanDerWaalsContact O-CA 3.28Å; A377-V384 WeakPolarHBondContact O-CA 3.36Å; A377-S385 PolarHBondContact N-O 3.47Å; A377-S385 PolarHBondContact O-N 2.88Å
378	S	98.6	Very high	96.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	151.3	169.3	63.4	0	0	0	0	110.9	I362 T363 S364 V383	I362-S378 WeakPolarHBondContact CG2-O 3.25Å; T363-S378 PolarHBondContact N-O 2.95Å; T363-S378 PolarHBondContact OG1-O 2.85Å; T363-S378 PolarHBondContact OG1-OG 2.84Å; S364-S378 VanDerWaalsContact CB-OG 3.25Å; S364-S378 WeakPolarHBondContact CB-OG 3.05Å; S364-S378 PolarHBondContact N-O 2.66Å; S364-S378 PolarHBondContact N-OG 3Å; S364-S378 PolarHBondContact O-N 2.98Å; S378-V383 WeakPolarHBondContact CA-O 3.42Å
379	G	97.9	Very high	96.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	166	175.9	0	0	0	0	0	112.9	P361 D381 D382 V383	P361-G379 CarbonylContact O-C 3.58Å; P361-G379 VanDerWaalsContact O-CA 3.22Å; P361-G379 WeakPolarHBondContact O-CA 3.39Å; G379-D381 VanDerWaalsContact CA-OD1 3.28Å; G379-D381 WeakPolarHBondContact CA-OD1 3.42Å; G379-D381 PolarHBondContact O-N 2.85Å; G379-D381 VanDerWaalsContact O-N 3.15Å; G379-D382 PolarHBondContact O-N 3.38Å; G379-D382 VanDerWaalsContact O-N 3.09Å; G379-V383 PolarHBondContact N-O 2.88Å; G379-V383 VanDerWaalsContact N-O 3.13Å
380	A	97.5	Very high	96.3	Very high	57 Å²	57	25.3 Å²	25.3	47%	0.471	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	5.9	169.2	0	0	0	0	0	112.8	P361 T363 D382	P361-A380 HydrophobicContact CB-CB 4.35Å; P361-A380 PolarHBondContact O-N 3.37Å; T363-A380 HydrophobicContact CG2-CB 4.12Å; A380-D382 VanDerWaalsContact C-N 3.27Å
381	D	96.1	Very high	96	Very high	49 Å²	49	22.5 Å²	22.5	26%	0.262	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	8.6	164.8	58.6	-4.2	0	0	0	112.8	H358 G359 G379 V383	H358-D381 WeakPolarHBondContact CA-OD2 3.46Å; H358-D381 WeakPolarHBondContact CB-OD2 3.43Å; H358-D381 IonicContact CE1-OD1 2.71Å; H358-D381 IonicContact CG-OD1 3.94Å; H358-D381 IonicContact CG-OD2 3.74Å; H358-D381 IonicContact ND1-OD1 3.3Å; H358-D381 PolarHBondContact ND1-OD1 3.25Å; H358-D381 IonicContact ND1-OD2 3.68Å; H358-D381 PolarHBondContact ND1-OD2 2.84Å; H358-D381 VanDerWaalsContact ND1-OD2 3.15Å; G359-D381 PolarHBondContact N-OD2 3.15Å; G379-D381 VanDerWaalsContact CA-OD1 3.28Å; G379-D381 WeakPolarHBondContact CA-OD1 3.42Å; G379-D381 PolarHBondContact O-N 2.85Å; G379-D381 VanDerWaalsContact O-N 3.15Å; D381-V383 PolarHBondContact O-N 2.94Å
382	D	96.8	Very high	94.9	Very high	45 Å²	45	26.4 Å²	26.4	24%	0.241	16%	0.156	C	C	.	.	S	Bend	trans	62.7	29.5	175.1	-70	-19.2	0	0	0	114.5	G379 A380 Q417 S418 E419 I420	G379-D382 PolarHBondContact O-N 3.38Å; G379-D382 VanDerWaalsContact O-N 3.09Å; A380-D382 VanDerWaalsContact C-N 3.27Å; D382-Q417 WeakPolarHBondContact CB-O 3.41Å; D382-S418 WeakPolarHBondContact OD2-CA 3.36Å; D382-E419 WeakPolarHBondContact OD1-CA 3.49Å; D382-E419 PolarHBondContact OD1-N 2.84Å; D382-E419 PolarHBondContact OD2-N 3.19Å; D382-I420 PolarHBondContact OD1-N 3.15Å
383	V	96.9	Very high	93.1	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	17%	0.171	C	C	.	.			trans	-114.3	137.1	175.1	-179.4	0	0	0	0	109.6	P45 H358 S378 G379 D381 L413 H414 Q415	P45-V383 HydrophobicContact CB-CG2 3.84Å; P45-V383 HydrophobicContact CG-CG2 3.95Å; H358-V383 PolarHBondContact CE1-O 3.33Å; H358-V383 VanDerWaalsContact CE1-O 3.28Å; S378-V383 WeakPolarHBondContact CA-O 3.42Å; G379-V383 PolarHBondContact N-O 2.88Å; G379-V383 VanDerWaalsContact N-O 3.13Å; D381-V383 PolarHBondContact O-N 2.94Å; V383-L413 HydrophobicContact CG1-CB 4.25Å; V383-L413 HydrophobicContact CG1-CD2 3.77Å; V383-H414 WeakPolarHBondContact CA-O 3.06Å; V383-Q415 HydrophobicContact CG2-CG 4.11Å
384	V	98.2	Very high	91.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.5	160.6	-175.7	0	0	0	0	108.7	A377 L413 H414 I420 I423 M433 F444	A377-V384 CarbonylContact O-C 3.45Å; A377-V384 VanDerWaalsContact O-CA 3.28Å; A377-V384 WeakPolarHBondContact O-CA 3.36Å; V384-L413 CarbonylContact O-C 3.53Å; V384-L413 WeakPolarHBondContact O-CA 3.06Å; V384-H414 HydrophobicContact CB-CB 4.13Å; V384-H414 PolarHBondContact N-O 2.92Å; V384-H414 PolarHBondContact O-N 2.49Å; V384-I420 HydrophobicContact CG2-CD1 3.68Å; V384-I420 HydrophobicContact CG2-CG2 4.3Å; V384-I423 HydrophobicContact CG1-CD1 4.24Å; V384-I423 HydrophobicContact CG1-CG2 4.14Å; V384-I423 HydrophobicContact CG2-CG2 4.01Å; V384-M433 HydrophobicContact CG1-CE 4.17Å; V384-F444 HydrophobicContact CG1-CZ 4.34Å
385	S	97.4	Very high	89	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138	178.7	60.1	0	0	0	0	111.5	H358 A376 A377 W387 F412	H358-S385 PolarHBondContact NE2-OG 2.9Å; A376-S385 CarbonylContact C-O 3.6Å; A376-S385 WeakPolarHBondContact CA-O 3.34Å; A376-S385 WeakPolarHBondContact CB-O 3.26Å; A377-S385 PolarHBondContact N-O 3.47Å; A377-S385 PolarHBondContact O-N 2.88Å; S385-W387 VanDerWaalsContact CB-NE1 3.32Å; S385-W387 PolarHBondContact OG-NE1 2.82Å; S385-F412 CarbonylContact C-O 3.6Å; S385-F412 WeakPolarHBondContact CA-O 3.49Å
386	Q	97.6	Very high	86.5	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.2	171.8	-62.9	179.9	-2.4	0	0	110.1	A376 L411 F412 W425 M433 T446	A376-Q386 HydrophobicContact CB-CG 4.4Å; Q386-L411 HydrophobicContact CB-CB 4.32Å; Q386-L411 WeakPolarHBondContact O-CB 3.03Å; Q386-L411 PolarHBondContact O-N 3.15Å; Q386-F412 HydrophobicContact CB-CB 3.94Å; Q386-F412 HydrophobicContact CG-CB 4.2Å; Q386-F412 PolarHBondContact N-O 2.76Å; Q386-F412 PolarHBondContact O-N 3.45Å; Q386-W425 HydrophobicContact CG-CH2 4.39Å; Q386-M433 HydrophobicContact CG-SD 3.95Å; Q386-M433 PolarHBondContact NE2-SD 2.85Å; Q386-T446 PolarHBondContact OE1-OG1 2.8Å
387	W	96.7	Very high	84.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.8	-171.1	-59.5	81	0	0	0	111.5	L338 F355 Q357 V374 F375 S385 P407 Q409 L410	L338-W387 HydrophobicContact CD1-CZ2 4.2Å; F355-W387 HydrophobicContact CB-CH2 3.74Å; F355-W387 HydrophobicContact CB-CZ2 4.23Å; F355-W387 HydrophobicContact CB-CZ3 3.97Å; F355-W387 AromaticContact CD1-CE3 3.98Å; F355-W387 HydrophobicContact CD1-CE3 3.98Å; F355-W387 HydrophobicContact CD1-CH2 4.12Å; F355-W387 AromaticContact CD1-CZ3 3.47Å; F355-W387 HydrophobicContact CD1-CZ3 3.47Å; F355-W387 VanDerWaalsContact CD1-CZ3 3.47Å; F355-W387 HydrophobicContact CE1-CE3 4.28Å; F355-W387 HydrophobicContact CE1-CZ3 4.12Å; F355-W387 HydrophobicContact CG-CE3 4.2Å; F355-W387 HydrophobicContact CG-CH2 4.11Å; F355-W387 AromaticContact CG-CZ3 3.8Å; F355-W387 HydrophobicContact CG-CZ3 3.8Å; Q357-W387 HydrophobicContact CB-CH2 3.82Å; Q357-W387 HydrophobicContact CB-CZ2 3.66Å; Q357-W387 HydrophobicContact CG-CZ2 4.26Å; V374-W387 WeakPolarHBondContact CA-O 3.3Å; V374-W387 WeakPolarHBondContact CG1-O 3.34Å; F375-W387 HydrophobicContact CD1-CB 3.87Å; F375-W387 HydrophobicContact CD2-CB 4.06Å; F375-W387 AromaticContact CD2-CD1 3.76Å; F375-W387 HydrophobicContact CD2-CG 4.09Å; F375-W387 HydrophobicContact CE1-CB 3.44Å; F375-W387 VanDerWaalsContact CE1-CB 3.44Å; F375-W387 AromaticContact CE1-CG 3.99Å; F375-W387 HydrophobicContact CE1-CG 3.99Å; F375-W387 HydrophobicContact CE2-CB 3.65Å; F375-W387 AromaticContact CE2-CD1 3.2Å; F375-W387 HydrophobicContact CE2-CD2 4.11Å; F375-W387 AromaticContact CE2-CG 3.37Å; F375-W387 HydrophobicContact CE2-CG 3.37Å; F375-W387 AromaticContact CE2-NE1 3.83Å; F375-W387 HydrophobicContact CG-CB 4.16Å; F375-W387 HydrophobicContact CZ-CB 3.33Å; F375-W387 AromaticContact CZ-CD1 3.68Å; F375-W387 AromaticContact CZ-CD2 3.85Å; F375-W387 HydrophobicContact CZ-CD2 3.85Å; F375-W387 HydrophobicContact CZ-CE3 4.46Å; F375-W387 AromaticContact CZ-CG 3.32Å; F375-W387 HydrophobicContact CZ-CG 3.32Å; F375-W387 PolarHBondContact N-O 2.72Å; F375-W387 PolarHBondContact O-N 2.77Å; S385-W387 VanDerWaalsContact CB-NE1 3.32Å; S385-W387 PolarHBondContact OG-NE1 2.82Å; W387-P407 HydrophobicContact CH2-CG 3.73Å; W387-P407 HydrophobicContact CZ3-CB 4.2Å; W387-P407 HydrophobicContact CZ3-CG 3.45Å; W387-P407 VanDerWaalsContact CZ3-CG 3.45Å; W387-Q409 CarbonylContact C-O 3.6Å; W387-Q409 WeakPolarHBondContact CA-O 3.4Å; W387-Q409 HydrophobicContact CE3-CB 4.07Å; W387-L410 HydrophobicContact CD2-CD1 4.08Å; W387-L410 HydrophobicContact CE3-CB 4.06Å; W387-L410 HydrophobicContact CE3-CD1 4.38Å; W387-L410 HydrophobicContact CH2-CB 4.13Å; W387-L410 HydrophobicContact CH2-CD1 4.05Å; W387-L410 HydrophobicContact CZ2-CD1 3.72Å; W387-L410 HydrophobicContact CZ3-CB 3.84Å; W387-L410 HydrophobicContact CZ3-CD1 4.38Å
388	D	95.4	Very high	81.6	Confident	22 Å²	22	53.3 Å²	53.3	12%	0.118	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	116.3	168.2	179.8	9.3	0	0	0	110.9	S373 V374 S390 V391 Q409 L411	S373-D388 WeakPolarHBondContact CB-OD1 3.46Å; S373-D388 PolarHBondContact OG-OD1 2.86Å; V374-D388 HydrophobicContact CG2-CB 4.13Å; D388-S390 VanDerWaalsContact CG-OG 3.25Å; D388-S390 PolarHBondContact O-N 2.83Å; D388-S390 VanDerWaalsContact OD1-CB 3.27Å; D388-S390 WeakPolarHBondContact OD1-CB 3.23Å; D388-S390 PolarHBondContact OD1-N 2.93Å; D388-S390 PolarHBondContact OD1-OG 3.3Å; D388-S390 PolarHBondContact OD2-OG 3.25Å; D388-V391 HydrophobicContact CB-CG2 3.98Å; D388-V391 PolarHBondContact O-N 3.29Å; D388-Q409 PolarHBondContact N-O 2.81Å; D388-Q409 WeakPolarHBondContact O-CA 3.26Å; D388-Q409 VanDerWaalsContact O-CB 3.29Å; D388-Q409 WeakPolarHBondContact O-CB 3.34Å; D388-Q409 WeakPolarHBondContact O-CG 3.32Å; D388-L411 HydrophobicContact CB-CD1 3.63Å; D388-L411 HydrophobicContact CB-CD2 4.13Å; D388-L411 HydrophobicContact CB-CG 3.92Å
389	L	93.2	Very high	79.5	Confident	52 Å²	52	62.8 Å²	62.8	27%	0.272	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.5	179.2	-63	-173	0	0	0	114.1	V340 F355 W367 S373 F375 V391	V340-L389 HydrophobicContact CG1-CD1 4.38Å; V340-L389 HydrophobicContact CG2-CD1 4.19Å; F355-L389 HydrophobicContact CE2-CD2 3.87Å; F355-L389 HydrophobicContact CZ-CD2 3.46Å; F355-L389 VanDerWaalsContact CZ-CD2 3.46Å; W367-L389 HydrophobicContact CH2-CD1 3.55Å; W367-L389 HydrophobicContact CZ3-CD1 4.01Å; S373-L389 PolarHBondContact O-N 3.41Å; F375-L389 HydrophobicContact CD1-CG 4.34Å; F375-L389 HydrophobicContact CE1-CD1 4.36Å; F375-L389 HydrophobicContact CE1-CD2 3.81Å; F375-L389 HydrophobicContact CE1-CG 3.95Å; L389-V391 VanDerWaalsContact C-N 3.32Å
390	S	90.7	Very high	77.5	Confident	77 Å²	77	66.7 Å²	66.7	54%	0.538	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-20.6	177.3	85.7	0	0	0	0	112.6	D388 E392	D388-S390 VanDerWaalsContact CG-OG 3.25Å; D388-S390 PolarHBondContact O-N 2.83Å; D388-S390 VanDerWaalsContact OD1-CB 3.27Å; D388-S390 WeakPolarHBondContact OD1-CB 3.23Å; D388-S390 PolarHBondContact OD1-N 2.93Å; D388-S390 PolarHBondContact OD1-OG 3.3Å; D388-S390 PolarHBondContact OD2-OG 3.25Å; S390-E392 PolarHBondContact O-N 3.38Å
391	V	84.8	Confident	75.3	Confident	33 Å²	33	73.4 Å²	73.4	20%	0.2	42%	0.423	C	S	.	.			trans	-75.1	113.8	-178.7	-174.4	0	0	0	0	110.3	D388 L389 P408 Q409 L411	D388-V391 HydrophobicContact CB-CG2 3.98Å; D388-V391 PolarHBondContact O-N 3.29Å; L389-V391 VanDerWaalsContact C-N 3.32Å; V391-P408 HydrophobicContact CG1-CB 4.35Å; V391-P408 WeakPolarHBondContact CG1-O 3.45Å; V391-Q409 PolarHBondContact O-NE2 3.01Å; V391-Q409 VanDerWaalsContact O-NE2 3.1Å; V391-L411 HydrophobicContact CG2-CD2 4.49Å
392	E	71.1	Confident	73.3	Confident	146 Å²	146	74.4 Å²	74.4	68%	0.682	44%	0.444	S	S	*	.			trans	-93.6	154.7	168.6	-65.8	-167	167.1	0	0	110.9	S390 C394 D395	S390-E392 PolarHBondContact O-N 3.38Å; E392-C394 PolarHBondContact O-N 3.11Å; E392-D395 PolarHBondContact O-N 3.04Å
393	S	58.8	Low	71.6	Confident	87 Å²	87	73.9 Å²	73.9	61%	0.608	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	3.1	-176.4	54.2	0	0	0	0	116.2
394	C	53.9	Low	69.8	Low	102 Å²	102	81.7 Å²	81.7	69%	0.689	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-3.4	-177.2	-67.6	0	0	0	0	114	E392	E392-C394 PolarHBondContact O-N 3.11Å
395	D	52.1	Low	68.6	Low	140 Å²	140	89.2 Å²	89.2	75%	0.749	52%	0.516	S	S	*	.	S	Bend	trans	-86.6	130.4	175.5	-93.1	-27.5	0	0	0	113.3	E392 G397	E392-D395 PolarHBondContact O-N 3.04Å; D395-G397 PolarHBondContact O-N 3.3Å
396	V	46.2	Very low	67.8	Low	147 Å²	147	91.6 Å²	91.6	89%	0.891	53%	0.529	S	S	*	.			trans	-85.5	74	-162.7	-172.2	0	0	0	0	108.9
397	G	47	Very low	67.2	Low	56 Å²	56	93.3 Å²	93.3	58%	0.577	54%	0.54	S	S	*	.			trans	-93.4	133.1	158.2	0	0	0	0	0	108.4	D395 R399	D395-G397 PolarHBondContact O-N 3.3Å; G397-R399 PolarHBondContact O-N 2.9Å
398	A	47	Very low	66.7	Low	102 Å²	102	95.8 Å²	95.8	84%	0.843	56%	0.556	S	S	*	*			trans	-52.4	101.9	173.7	0	0	0	0	0	108.7	V400	A398-V400 PolarHBondContact O-N 3.13Å
399	R	54.2	Low	66.5	Low	199 Å²	199	96.8 Å²	96.8	75%	0.751	56%	0.56	S	S	*	*			trans	-56.9	113.1	168.3	-76.2	-176.1	176.1	-174.5	-3.2	105	G397 E401	G397-R399 PolarHBondContact O-N 2.9Å; R399-E401 PolarHBondContact O-N 3.14Å; R399-E401 VanDerWaalsContact O-N 3.11Å
400	V	55.5	Low	66.5	Low	82 Å²	82	95.5 Å²	95.5	50%	0.497	55%	0.553	S	S	.	*			trans	-51.1	123	175.7	179.6	0	0	0	0	106.8	V42 A398 G402 V403	V42-V400 HydrophobicContact CB-CG1 4.46Å; V42-V400 HydrophobicContact CG2-CG1 3.99Å; A398-V400 PolarHBondContact O-N 3.13Å; V400-G402 PolarHBondContact O-N 2.74Å; V400-V403 HydrophobicContact CB-CG2 4.25Å; V400-V403 HydrophobicContact CG1-CG2 4.41Å; V400-V403 PolarHBondContact O-N 3.4Å
401	E	51.1	Low	66.6	Low	198 Å²	198	94.3 Å²	94.3	93%	0.925	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	125.2	178.3	-73.2	-161.9	154.9	0	0	108.7	R399	R399-E401 PolarHBondContact O-N 3.14Å; R399-E401 VanDerWaalsContact O-N 3.11Å
402	G	55.2	Low	67	Low	69 Å²	69	94 Å²	94	71%	0.711	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	108	-20.4	-179.3	0	0	0	0	0	115.5	V400 K404	V400-G402 PolarHBondContact O-N 2.74Å; G402-K404 PolarHBondContact O-N 2.82Å
403	V	61.8	Low	68.1	Low	35 Å²	35	88.7 Å²	88.7	21%	0.212	51%	0.513	C	S	.	.			trans	-93.8	83.6	178.6	-171.5	0	0	0	0	110.3	V44 V400 L406	V44-V403 HydrophobicContact CG2-CG1 3.97Å; V44-V403 HydrophobicContact CG2-CG2 4.02Å; V400-V403 HydrophobicContact CB-CG2 4.25Å; V400-V403 HydrophobicContact CG1-CG2 4.41Å; V400-V403 PolarHBondContact O-N 3.4Å; V403-L406 HydrophobicContact CG1-CB 4.36Å; V403-L406 HydrophobicContact CG1-CD1 3.33Å; V403-L406 HydrophobicContact CG1-CG 3.61Å
404	K	59	Low	69.9	Low	166 Å²	166	84.6 Å²	84.6	72%	0.722	48%	0.484	S	S	*	.			trans	-82.6	146.7	171.9	-66.2	177.7	-177.1	171	0	109.2	G402 L406	G402-K404 PolarHBondContact O-N 2.82Å; K404-L406 PolarHBondContact O-N 3.31Å
405	D	71.7	Confident	71.8	Confident	159 Å²	159	82.6 Å²	82.6	85%	0.85	46%	0.464	S	S	*	.	S	Bend	trans	76.4	9.7	167.1	-48.9	-40.7	0	0	0	119.3
406	L	80.1	Confident	73.6	Confident	51 Å²	51	79.1 Å²	79.1	27%	0.267	46%	0.462	S	S	.	.			trans	-75.7	137.9	167.2	-69	-175.9	0	0	0	112	V44 I47 V403 K404 L410	V44-L406 HydrophobicContact CG1-CD1 4.16Å; V44-L406 HydrophobicContact CG1-CD2 4.11Å; V44-L406 HydrophobicContact CG2-CD1 4.5Å; I47-L406 HydrophobicContact CD1-CD2 4.18Å; V403-L406 HydrophobicContact CG1-CB 4.36Å; V403-L406 HydrophobicContact CG1-CD1 3.33Å; V403-L406 HydrophobicContact CG1-CG 3.61Å; K404-L406 PolarHBondContact O-N 3.31Å; L406-L410 HydrophobicContact CD1-CD2 4.14Å; L406-L410 HydrophobicContact CD2-CD2 3.92Å; L406-L410 HydrophobicContact CG-CD2 4.45Å
407	P	85.6	Confident	76	Confident	37 Å²	37	72.6 Å²	72.6	24%	0.24	42%	0.422	C	S	.	.			trans	-65.7	138.1	174.9	26.6	-32.1	0	0	0	110.2	W387 Q409 L410	W387-P407 HydrophobicContact CH2-CG 3.73Å; W387-P407 HydrophobicContact CZ3-CB 4.2Å; W387-P407 HydrophobicContact CZ3-CG 3.45Å; W387-P407 VanDerWaalsContact CZ3-CG 3.45Å; P407-Q409 PolarHBondContact O-N 3.16Å; P407-Q409 VanDerWaalsContact O-N 3.1Å; P407-L410 HydrophobicContact CG-CB 4.02Å; P407-L410 WeakPolarHBondContact O-CB 3.45Å; P407-L410 PolarHBondContact O-N 3.06Å
408	P	86.3	Confident	78.4	Confident	51 Å²	51	72.5 Å²	72.5	33%	0.331	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.9	-178.2	26	-34.1	0	0	0	113.4	V391 L410	V391-P408 HydrophobicContact CG1-CB 4.35Å; V391-P408 WeakPolarHBondContact CG1-O 3.45Å; P408-L410 VanDerWaalsContact C-N 3.28Å; P408-L410 PolarHBondContact O-N 3.29Å
409	Q	91.7	Very high	80.8	Confident	44 Å²	44	72.1 Å²	72.1	21%	0.206	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-16.7	175.6	-63.3	79.2	16.6	0	0	113.3	F355 W387 D388 V391 P407 L411	F355-Q409 HydrophobicContact CE1-CB 4.34Å; F355-Q409 HydrophobicContact CE1-CG 4.45Å; W387-Q409 CarbonylContact C-O 3.6Å; W387-Q409 WeakPolarHBondContact CA-O 3.4Å; W387-Q409 HydrophobicContact CE3-CB 4.07Å; D388-Q409 PolarHBondContact N-O 2.81Å; D388-Q409 WeakPolarHBondContact O-CA 3.26Å; D388-Q409 VanDerWaalsContact O-CB 3.29Å; D388-Q409 WeakPolarHBondContact O-CB 3.34Å; D388-Q409 WeakPolarHBondContact O-CG 3.32Å; V391-Q409 PolarHBondContact O-NE2 3.01Å; V391-Q409 VanDerWaalsContact O-NE2 3.1Å; P407-Q409 PolarHBondContact O-N 3.16Å; P407-Q409 VanDerWaalsContact O-N 3.1Å; Q409-L411 PolarHBondContact O-N 3.17Å
410	L	92.6	Very high	82.9	Confident	25 Å²	25	62.7 Å²	62.7	13%	0.131	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	114.1	179.8	178	66	0	0	0	109.8	Q357 W387 L406 P407 P408 L413	Q357-L410 HydrophobicContact CG-CD2 4.22Å; W387-L410 HydrophobicContact CD2-CD1 4.08Å; W387-L410 HydrophobicContact CE3-CB 4.06Å; W387-L410 HydrophobicContact CE3-CD1 4.38Å; W387-L410 HydrophobicContact CH2-CB 4.13Å; W387-L410 HydrophobicContact CH2-CD1 4.05Å; W387-L410 HydrophobicContact CZ2-CD1 3.72Å; W387-L410 HydrophobicContact CZ3-CB 3.84Å; W387-L410 HydrophobicContact CZ3-CD1 4.38Å; L406-L410 HydrophobicContact CD1-CD2 4.14Å; L406-L410 HydrophobicContact CD2-CD2 3.92Å; L406-L410 HydrophobicContact CG-CD2 4.45Å; P407-L410 HydrophobicContact CG-CB 4.02Å; P407-L410 WeakPolarHBondContact O-CB 3.45Å; P407-L410 PolarHBondContact O-N 3.06Å; P408-L410 VanDerWaalsContact C-N 3.28Å; P408-L410 PolarHBondContact O-N 3.29Å; L410-L413 HydrophobicContact CD1-CD2 3.76Å; L410-L413 HydrophobicContact CD1-CG 4.42Å; L410-L413 HydrophobicContact CD2-CD1 4.3Å; L410-L413 HydrophobicContact CD2-CD2 4.09Å; L410-L413 HydrophobicContact CD2-CG 4.23Å; L410-L413 HydrophobicContact CG-CD2 4.41Å
411	L	92.3	Very high	84.9	Confident	51 Å²	51	61.9 Å²	61.9	27%	0.267	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-37	-175.9	-67.5	-174.8	0	0	0	113.8	Q386 D388 V391 Q409 V449	Q386-L411 HydrophobicContact CB-CB 4.32Å; Q386-L411 WeakPolarHBondContact O-CB 3.03Å; Q386-L411 PolarHBondContact O-N 3.15Å; D388-L411 HydrophobicContact CB-CD1 3.63Å; D388-L411 HydrophobicContact CB-CD2 4.13Å; D388-L411 HydrophobicContact CB-CG 3.92Å; V391-L411 HydrophobicContact CG2-CD2 4.49Å; Q409-L411 PolarHBondContact O-N 3.17Å; L411-V449 HydrophobicContact CD1-CG2 3.94Å
412	F	93.8	Very high	87.1	Confident	26 Å²	26	53 Å²	53	11%	0.114	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	147.9	-170.1	-159.7	-93.6	0	0	0	112	A62 Y63 S385 Q386 H414 T446	A62-F412 HydrophobicContact CB-CE2 3.87Å; A62-F412 HydrophobicContact CB-CZ 4.09Å; Y63-F412 HydrophobicContact CD1-CZ 4.37Å; Y63-F412 AromaticContact CE1-CE1 3.84Å; Y63-F412 HydrophobicContact CE1-CE1 3.84Å; Y63-F412 AromaticContact CE1-CZ 3.75Å; Y63-F412 HydrophobicContact CE1-CZ 3.75Å; Y63-F412 HydrophobicContact CE2-CZ 4.01Å; Y63-F412 AromaticContact CZ-CE1 3.78Å; Y63-F412 AromaticContact CZ-CZ 3.55Å; S385-F412 CarbonylContact C-O 3.6Å; S385-F412 WeakPolarHBondContact CA-O 3.49Å; Q386-F412 HydrophobicContact CB-CB 3.94Å; Q386-F412 HydrophobicContact CG-CB 4.2Å; Q386-F412 PolarHBondContact N-O 2.76Å; Q386-F412 PolarHBondContact O-N 3.45Å; F412-H414 HydrophobicContact CD1-CB 4.11Å; F412-H414 HydrophobicContact CE1-CB 3.84Å; F412-T446 HydrophobicContact CB-CG2 4.43Å; F412-T446 HydrophobicContact CD1-CG2 3.57Å; F412-T446 HydrophobicContact CD2-CG2 3.83Å; F412-T446 HydrophobicContact CE1-CG2 3.64Å; F412-T446 HydrophobicContact CE2-CG2 3.86Å; F412-T446 HydrophobicContact CG-CG2 3.68Å; F412-T446 HydrophobicContact CZ-CG2 3.79Å
413	L	94.6	Very high	89.2	Confident	36 Å²	36	49.7 Å²	49.7	19%	0.188	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	110.3	169.1	-62.2	178.1	0	0	0	109	V44 P45 Q357 V383 V384 L410	V44-L413 HydrophobicContact CG1-CD1 4.23Å; P45-L413 HydrophobicContact CG-CD1 4.5Å; Q357-L413 HydrophobicContact CG-CD2 4.24Å; V383-L413 HydrophobicContact CG1-CB 4.25Å; V383-L413 HydrophobicContact CG1-CD2 3.77Å; V384-L413 CarbonylContact O-C 3.53Å; V384-L413 WeakPolarHBondContact O-CA 3.06Å; L410-L413 HydrophobicContact CD1-CD2 3.76Å; L410-L413 HydrophobicContact CD1-CG 4.42Å; L410-L413 HydrophobicContact CD2-CD1 4.3Å; L410-L413 HydrophobicContact CD2-CD2 4.09Å; L410-L413 HydrophobicContact CD2-CG 4.23Å; L410-L413 HydrophobicContact CG-CD2 4.41Å
414	H	95.6	Very high	91	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	136	172.6	171.7	60.7	0	0	0	109.7	Y63 Y66 V383 V384 F412 N442 F444	Y63-H414 AromaticContact CE1-ND1 3.86Å; Y63-H414 AromaticContact CZ-ND1 3.75Å; Y63-H414 PolarHBondContact OH-ND1 3.39Å; Y66-H414 AromaticContact CE2-CE1 3.62Å; V383-H414 WeakPolarHBondContact CA-O 3.06Å; V384-H414 HydrophobicContact CB-CB 4.13Å; V384-H414 PolarHBondContact N-O 2.92Å; V384-H414 PolarHBondContact O-N 2.49Å; F412-H414 HydrophobicContact CD1-CB 4.11Å; F412-H414 HydrophobicContact CE1-CB 3.84Å; H414-N442 PolarHBondContact CE1-ND2 3.29Å; H414-N442 VanDerWaalsContact CE1-ND2 3.29Å; H414-N442 PolarHBondContact NE2-ND2 2.59Å; H414-F444 HydrophobicContact CB-CE2 4.14Å; H414-F444 HydrophobicContact CB-CZ 4.12Å; H414-F444 AromaticContact CD2-CE1 3.6Å; H414-F444 AromaticContact CD2-CZ 3.74Å; H414-F444 AromaticContact CG-CZ 3.91Å; H414-F444 AromaticContact NE2-CE1 3.97Å
415	Q	93.6	Very high	92.9	Very high	59 Å²	59	41.2 Å²	41.2	28%	0.276	23%	0.232	S	C	.	.			trans	-139.8	173.3	-179.6	-71.2	-176.9	93	0	0	109.7	P45 V383	P45-Q415 HydrophobicContact CG-CG 4.18Å; P45-Q415 VanDerWaalsContact CG-NE2 3.27Å; P45-Q415 VanDerWaalsContact CG-OE1 3.23Å; V383-Q415 HydrophobicContact CG2-CG 4.11Å
416	G	91.8	Very high	94.1	Very high	68 Å²	68	33.8 Å²	33.8	70%	0.701	19%	0.192	S	C	*	.			trans	115.3	-11.8	174.9	0	0	0	0	0	113.7
417	Q	95.9	Very high	94.9	Very high	10 Å²	10	33 Å²	33	5%	0.047	19%	0.191	C	C	.	.			trans	-93.4	149.9	171.2	-62.1	-168.4	-63.5	0	0	111.1	D382 I420 S435 A437 S439 G440 N442	D382-Q417 WeakPolarHBondContact CB-O 3.41Å; Q417-I420 HydrophobicContact CB-CD1 4.06Å; Q417-I420 HydrophobicContact CB-CG1 3.79Å; Q417-S435 VanDerWaalsContact OE1-CB 3.29Å; Q417-S435 PolarHBondContact OE1-OG 3.42Å; Q417-A437 HydrophobicContact CB-CB 3.83Å; Q417-A437 HydrophobicContact CG-CB 4.37Å; Q417-S439 WeakPolarHBondContact CA-OG 3.27Å; Q417-S439 WeakPolarHBondContact CB-OG 3.33Å; Q417-G440 PolarHBondContact NE2-O 2.86Å; Q417-N442 HydrophobicContact CG-CB 4.45Å; Q417-N442 WeakPolarHBondContact CG-ND2 3.28Å; Q417-N442 VanDerWaalsContact NE2-CG 3.25Å; Q417-N442 PolarHBondContact NE2-OD1 3.25Å; Q417-N442 VanDerWaalsContact NE2-OD1 3.17Å
418	S	96.7	Very high	95.4	Very high	53 Å²	53	31.6 Å²	31.6	37%	0.371	18%	0.181	S	C	.	.	S	Bend	trans	-104.8	134	168.4	59.6	0	0	0	0	112.5	D382 A437 L438 S439	D382-S418 WeakPolarHBondContact OD2-CA 3.36Å; S418-A437 WeakPolarHBondContact O-CB 3.35Å; S418-L438 WeakPolarHBondContact O-CB 3.21Å; S418-L438 PolarHBondContact O-N 3.36Å; S418-S439 PolarHBondContact N-OG 2.93Å; S418-S439 PolarHBondContact O-N 2.93Å; S418-S439 PolarHBondContact O-OG 3.18Å; S418-S439 WeakPolarHBondContact OG-CB 3.21Å
419	E	97.1	Very high	95.9	Very high	94 Å²	94	29.1 Å²	29.1	44%	0.439	17%	0.165	S	C	.	.	S	Bend	trans	52.1	67.6	-175.8	-62.1	-168.9	-134	0	0	114.9	D382 K421 A437 L438	D382-E419 WeakPolarHBondContact OD1-CA 3.49Å; D382-E419 PolarHBondContact OD1-N 2.84Å; D382-E419 PolarHBondContact OD2-N 3.19Å; E419-K421 WeakPolarHBondContact O-CE 3.17Å; E419-K421 WeakPolarHBondContact O-CG 3.47Å; E419-K421 PolarHBondContact O-N 2.94Å; E419-K421 IonicContact OE2-NZ 3.28Å; E419-K421 PolarHBondContact OE2-NZ 3.02Å; E419-A437 VanDerWaalsContact O-CA 3.3Å; E419-A437 WeakPolarHBondContact O-CA 3.25Å; E419-L438 HydrophobicContact CB-CB 3.81Å; E419-L438 HydrophobicContact CG-CB 4.42Å; E419-L438 HydrophobicContact CG-CD2 4.39Å; E419-L438 PolarHBondContact O-N 3.29Å; E419-L438 VanDerWaalsContact OE1-CD2 3.32Å; E419-L438 WeakPolarHBondContact OE1-CD2 3.14Å
420	I	98.2	Very high	96.1	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	131.6	178.7	-55.3	-179.3	0	0	0	111.4	T363 D382 V384 Q417 I423 A437	T363-I420 WeakPolarHBondContact CG2-O 3.07Å; T363-I420 PolarHBondContact OG1-O 3.18Å; D382-I420 PolarHBondContact OD1-N 3.15Å; V384-I420 HydrophobicContact CG2-CD1 3.68Å; V384-I420 HydrophobicContact CG2-CG2 4.3Å; Q417-I420 HydrophobicContact CB-CD1 4.06Å; Q417-I420 HydrophobicContact CB-CG1 3.79Å; I420-I423 HydrophobicContact CG2-CG2 4.46Å; I420-A437 HydrophobicContact CG1-CB 4.18Å
421	K	97.9	Very high	96.2	Very high	66 Å²	66	27.4 Å²	27.4	29%	0.287	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-46.7	-173.8	-59	-52.3	177.7	-170.8	0	114.2	L76 E419 T436	L76-K421 HydrophobicContact CD1-CB 3.95Å; L76-K421 HydrophobicContact CD1-CD 3.89Å; L76-K421 HydrophobicContact CD1-CG 3.89Å; E419-K421 WeakPolarHBondContact O-CE 3.17Å; E419-K421 WeakPolarHBondContact O-CG 3.47Å; E419-K421 PolarHBondContact O-N 2.94Å; E419-K421 IonicContact OE2-NZ 3.28Å; E419-K421 PolarHBondContact OE2-NZ 3.02Å; K421-T436 HydrophobicContact CB-CG2 4.16Å; K421-T436 PolarHBondContact N-O 3.1Å
422	E	98.6	Very high	96.5	Very high	10 Å²	10	25.3 Å²	25.3	5%	0.047	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	147.2	-176.4	-168.8	169.2	-143.7	0	0	110.8	S77 F78 R164 H424 S435 T436	S77-E422 WeakPolarHBondContact CA-OE2 3.32Å; S77-E422 WeakPolarHBondContact CB-OE2 3.4Å; S77-E422 PolarHBondContact OG-OE2 3.29Å; F78-E422 HydrophobicContact CD1-CB 4.46Å; F78-E422 HydrophobicContact CE1-CB 4.33Å; F78-E422 HydrophobicContact CE1-CG 4.48Å; F78-E422 PolarHBondContact N-OE2 3.42Å; F78-E422 VanDerWaalsContact O-OE2 3.1Å; R164-E422 IonicContact CZ-OE1 3Å; R164-E422 IonicContact NH1-OE1 2.85Å; R164-E422 PolarHBondContact NH1-OE1 3.31Å; R164-E422 IonicContact NH1-OE2 3.92Å; R164-E422 IonicContact NH2-OE1 2.98Å; R164-E422 PolarHBondContact NH2-OE1 2.9Å; E422-H424 VanDerWaalsContact CD-NE2 3.35Å; E422-H424 IonicContact OE1-CE1 3.1Å; E422-H424 IonicContact OE1-NE2 2.67Å; E422-H424 PolarHBondContact OE1-NE2 3.41Å; E422-H424 IonicContact OE2-NE2 2.97Å; E422-S435 CarbonylContact O-C 3.57Å; E422-S435 WeakPolarHBondContact O-CA 3.22Å; E422-T436 HydrophobicContact CB-CG2 3.91Å; E422-T436 PolarHBondContact N-O 3.11Å; E422-T436 PolarHBondContact O-N 3.04Å
423	I	98.9	Very high	96.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.2	172.6	70.8	-169.2	0	0	0	109.8	S364 A376 V384 I420 M433 I434	S364-I423 PolarHBondContact OG-N 3.13Å; A376-I423 HydrophobicContact CB-CD1 3.81Å; V384-I423 HydrophobicContact CG1-CD1 4.24Å; V384-I423 HydrophobicContact CG1-CG2 4.14Å; V384-I423 HydrophobicContact CG2-CG2 4.01Å; I420-I423 HydrophobicContact CG2-CG2 4.46Å; I423-M433 HydrophobicContact CB-CE 4.08Å; I423-M433 HydrophobicContact CD1-CE 3.98Å; I423-M433 HydrophobicContact CG1-CE 4.2Å; I423-I434 CarbonylContact C-O 3.58Å; I423-I434 VanDerWaalsContact CA-O 3.27Å; I423-I434 WeakPolarHBondContact CA-O 3.24Å
424	H	98.8	Very high	96.9	Very high	16 Å²	16	22.4 Å²	22.4	7%	0.074	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.6	168.8	-74.3	-79.8	0	0	0	112.1	F78 V80 E366 E422 M433 I434	F78-H424 AromaticContact CD2-CD2 3.99Å; F78-H424 AromaticContact CE1-CD2 3.83Å; F78-H424 HydrophobicContact CE2-CB 3.84Å; F78-H424 AromaticContact CE2-CD2 3.63Å; F78-H424 HydrophobicContact CZ-CB 3.86Å; F78-H424 AromaticContact CZ-CD2 3.53Å; F78-H424 PolarHBondContact O-CD2 3.09Å; F78-H424 VanDerWaalsContact O-CD2 3.28Å; F78-H424 PolarHBondContact O-NE2 3.27Å; V80-H424 HydrophobicContact CG2-CB 3.89Å; E366-H424 WeakPolarHBondContact OE2-CA 3.47Å; E366-H424 IonicContact OE2-ND1 3.83Å; E422-H424 VanDerWaalsContact CD-NE2 3.35Å; E422-H424 IonicContact OE1-CE1 3.1Å; E422-H424 IonicContact OE1-NE2 2.67Å; E422-H424 PolarHBondContact OE1-NE2 3.41Å; E422-H424 IonicContact OE2-NE2 2.97Å; H424-M433 WeakPolarHBondContact O-CA 3.36Å; H424-I434 PolarHBondContact N-O 3.24Å; H424-I434 PolarHBondContact O-N 3.04Å
425	W	98.4	Very high	97.1	Very high	6 Å²	6	22.3 Å²	22.3	2%	0.023	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	135.4	161.8	-68.6	100.2	0	0	0	110	E366 P369 V374 A376 Q386 P427 M433 V449	E366-W425 PolarHBondContact O-NE1 2.91Å; E366-W425 PolarHBondContact OE2-N 2.85Å; P369-W425 HydrophobicContact CG-CB 3.95Å; V374-W425 HydrophobicContact CG1-CH2 4.24Å; V374-W425 HydrophobicContact CG1-CZ2 3.99Å; A376-W425 HydrophobicContact CB-CZ2 3.83Å; Q386-W425 HydrophobicContact CG-CH2 4.39Å; W425-P427 WeakPolarHBondContact O-CD 3.31Å; W425-M433 HydrophobicContact CD2-CG 3.74Å; W425-M433 HydrophobicContact CD2-SD 4.2Å; W425-M433 HydrophobicContact CE3-CG 3.31Å; W425-M433 HydrophobicContact CE3-SD 4.14Å; W425-M433 HydrophobicContact CH2-CG 3.75Å; W425-M433 HydrophobicContact CH2-SD 3.56Å; W425-M433 VanDerWaalsContact CH2-SD 3.56Å; W425-M433 HydrophobicContact CZ2-CE 4.41Å; W425-M433 HydrophobicContact CZ2-CG 4.14Å; W425-M433 HydrophobicContact CZ2-SD 3.64Å; W425-M433 HydrophobicContact CZ3-CG 3.31Å; W425-M433 HydrophobicContact CZ3-SD 3.82Å; W425-V449 HydrophobicContact CH2-CB 4.24Å; W425-V449 HydrophobicContact CH2-CG1 3.85Å; W425-V449 HydrophobicContact CH2-CG2 4.3Å; W425-V449 HydrophobicContact CZ3-CB 4.39Å; W425-V449 HydrophobicContact CZ3-CG1 3.9Å
426	H	98.3	Very high	97.3	Very high	3 Å²	3	19.5 Å²	19.5	1%	0.014	12%	0.121	C	C	.	.			trans	-73	120.9	174	-164.6	-75.3	0	0	0	110.4	V80 M96 Q428 L429 V432 I434	V80-H426 VanDerWaalsContact CG1-CD2 3.43Å; V80-H426 WeakPolarHBondContact CG1-CD2 3.08Å; M96-H426 VanDerWaalsContact CB-NE2 3.29Å; M96-H426 WeakPolarHBondContact CB-NE2 3.47Å; H426-Q428 PolarHBondContact ND1-N 3.24Å; H426-Q428 VanDerWaalsContact ND1-N 3.19Å; H426-Q428 PolarHBondContact O-N 2.96Å; H426-Q428 VanDerWaalsContact O-N 3.16Å; H426-L429 HydrophobicContact CB-CB 3.91Å; H426-L429 WeakPolarHBondContact ND1-CB 3.46Å; H426-L429 WeakPolarHBondContact ND1-CG 3.22Å; H426-L429 PolarHBondContact ND1-N 3.08Å; H426-L429 VanDerWaalsContact ND1-N 3.14Å; H426-L429 PolarHBondContact O-N 2.84Å; H426-V432 HydrophobicContact CB-CB 4.02Å; H426-V432 HydrophobicContact CB-CG1 4.17Å; H426-V432 PolarHBondContact N-O 3.2Å; H426-I434 HydrophobicContact CB-CD1 3.99Å
427	P	96	Very high	97.6	Very high	36 Å²	36	16.3 Å²	16.3	23%	0.234	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.8	-171.8	28.5	-34.3	0	0	0	114	V80 K82 W425	V80-P427 HydrophobicContact CG1-CG 4.23Å; K82-P427 HydrophobicContact CG-CG 4.18Å; W425-P427 WeakPolarHBondContact O-CD 3.31Å
428	Q	96.8	Very high	97.7	Very high	6 Å²	6	19.9 Å²	19.9	3%	0.028	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-7.6	-179	-51.1	-176.9	-79.8	0	0	113.9	K82 D83 D87 G88 R89 H426	K82-Q428 VanDerWaalsContact CA-OE1 3.25Å; K82-Q428 HydrophobicContact CD-CG 4.45Å; K82-Q428 HydrophobicContact CG-CG 4.22Å; D83-Q428 PolarHBondContact O-NE2 2.94Å; D83-Q428 VanDerWaalsContact O-NE2 3.16Å; D83-Q428 PolarHBondContact OD1-OE1 3.29Å; D87-Q428 VanDerWaalsContact OD1-CG 3.25Å; D87-Q428 WeakPolarHBondContact OD1-CG 3.37Å; D87-Q428 PolarHBondContact OD1-NE2 3.25Å; G88-Q428 PolarHBondContact N-O 3.29Å; R89-Q428 PolarHBondContact N-O 3.36Å; R89-Q428 VanDerWaalsContact N-O 3.11Å; H426-Q428 PolarHBondContact ND1-N 3.24Å; H426-Q428 VanDerWaalsContact ND1-N 3.19Å; H426-Q428 PolarHBondContact O-N 2.96Å; H426-Q428 VanDerWaalsContact O-N 3.16Å
429	L	97.3	Very high	97.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-122.6	89	-177.3	-62.4	174.3	0	0	0	108.1	R89 V94 M96 H426 G431 V432	R89-L429 HydrophobicContact CB-CD2 3.63Å; R89-L429 WeakPolarHBondContact O-CD2 3.23Å; V94-L429 HydrophobicContact CB-CD1 4.25Å; V94-L429 HydrophobicContact CB-CD2 4.2Å; V94-L429 HydrophobicContact CG1-CD2 4.04Å; V94-L429 HydrophobicContact CG2-CD1 4.28Å; M96-L429 HydrophobicContact CB-CD1 4.45Å; M96-L429 HydrophobicContact CE-CD1 3.64Å; H426-L429 HydrophobicContact CB-CB 3.91Å; H426-L429 WeakPolarHBondContact ND1-CB 3.46Å; H426-L429 WeakPolarHBondContact ND1-CG 3.22Å; H426-L429 PolarHBondContact ND1-N 3.08Å; H426-L429 VanDerWaalsContact ND1-N 3.14Å; H426-L429 PolarHBondContact O-N 2.84Å; L429-G431 PolarHBondContact O-N 3.24Å; L429-V432 HydrophobicContact CB-CB 3.82Å; L429-V432 HydrophobicContact CB-CG2 3.59Å; L429-V432 HydrophobicContact CD1-CG2 4.4Å; L429-V432 WeakPolarHBondContact O-CB 3.3Å; L429-V432 PolarHBondContact O-N 3.48Å
430	P	95.3	Very high	97.7	Very high	29 Å²	29	14.8 Å²	14.8	19%	0.188	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	131.8	-174.7	-26.4	35	0	0	0	112.4	V432 R445	P430-V432 PolarHBondContact O-N 2.53Å; P430-R445 VanDerWaalsContact O-CZ 3.31Å; P430-R445 PolarHBondContact O-NE 3.21Å
431	G	95.3	Very high	97.8	Very high	4 Å²	4	14.8 Å²	14.8	4%	0.041	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	-8.6	-179.3	0	0	0	0	0	115	L429	L429-G431 PolarHBondContact O-N 3.24Å
432	V	98.1	Very high	97.8	Very high	7 Å²	7	12 Å²	12	4%	0.042	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.2	175.5	179.7	0	0	0	0	109.7	M65 M96 H426 L429 P430 I434 V443 F444 R445	M65-V432 HydrophobicContact CE-CB 4.32Å; M65-V432 HydrophobicContact CE-CG1 3.64Å; M65-V432 HydrophobicContact CE-CG2 3.72Å; M96-V432 HydrophobicContact CE-CG1 4.01Å; H426-V432 HydrophobicContact CB-CB 4.02Å; H426-V432 HydrophobicContact CB-CG1 4.17Å; H426-V432 PolarHBondContact N-O 3.2Å; L429-V432 HydrophobicContact CB-CB 3.82Å; L429-V432 HydrophobicContact CB-CG2 3.59Å; L429-V432 HydrophobicContact CD1-CG2 4.4Å; L429-V432 WeakPolarHBondContact O-CB 3.3Å; L429-V432 PolarHBondContact O-N 3.48Å; P430-V432 PolarHBondContact O-N 2.53Å; V432-I434 HydrophobicContact CG1-CD1 4.39Å; V432-V443 HydrophobicContact CG1-CG1 4.08Å; V432-F444 WeakPolarHBondContact CA-O 3.41Å; V432-R445 HydrophobicContact CG2-CB 4.2Å
433	M	98.4	Very high	97.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	150.5	172.3	-72.2	-163.5	71.2	0	0	110.5	A376 V384 Q386 I423 H424 W425 V443 F444	A376-M433 HydrophobicContact CB-CE 3.3Å; A376-M433 HydrophobicContact CB-SD 3.75Å; V384-M433 HydrophobicContact CG1-CE 4.17Å; Q386-M433 HydrophobicContact CG-SD 3.95Å; Q386-M433 PolarHBondContact NE2-SD 2.85Å; I423-M433 HydrophobicContact CB-CE 4.08Å; I423-M433 HydrophobicContact CD1-CE 3.98Å; I423-M433 HydrophobicContact CG1-CE 4.2Å; H424-M433 WeakPolarHBondContact O-CA 3.36Å; W425-M433 HydrophobicContact CD2-CG 3.74Å; W425-M433 HydrophobicContact CD2-SD 4.2Å; W425-M433 HydrophobicContact CE3-CG 3.31Å; W425-M433 HydrophobicContact CE3-SD 4.14Å; W425-M433 HydrophobicContact CH2-CG 3.75Å; W425-M433 HydrophobicContact CH2-SD 3.56Å; W425-M433 VanDerWaalsContact CH2-SD 3.56Å; W425-M433 HydrophobicContact CZ2-CE 4.41Å; W425-M433 HydrophobicContact CZ2-CG 4.14Å; W425-M433 HydrophobicContact CZ2-SD 3.64Å; W425-M433 HydrophobicContact CZ3-CG 3.31Å; W425-M433 HydrophobicContact CZ3-SD 3.82Å; M433-V443 WeakPolarHBondContact O-CA 3.43Å; M433-F444 HydrophobicContact CB-CD2 4.29Å; M433-F444 HydrophobicContact CB-CE1 4.09Å; M433-F444 HydrophobicContact CB-CE2 3.84Å; M433-F444 HydrophobicContact CB-CZ 3.73Å; M433-F444 HydrophobicContact CG-CE2 4.43Å; M433-F444 PolarHBondContact N-O 2.88Å; M433-F444 PolarHBondContact O-N 2.89Å; M433-F444 HydrophobicContact SD-CE2 4.18Å; M433-F444 HydrophobicContact SD-CZ 4.22Å
434	I	98.8	Very high	97.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.9	170	-55.7	92	0	0	0	107.4	F78 V80 M96 L98 I423 H424 H426 V432 F441 N442 V443	F78-I434 HydrophobicContact CD2-CG2 4.36Å; F78-I434 HydrophobicContact CE1-CG2 4.31Å; F78-I434 HydrophobicContact CE2-CB 3.64Å; F78-I434 HydrophobicContact CE2-CG2 3.48Å; F78-I434 VanDerWaalsContact CE2-CG2 3.48Å; F78-I434 HydrophobicContact CZ-CB 3.62Å; F78-I434 HydrophobicContact CZ-CG2 3.45Å; F78-I434 VanDerWaalsContact CZ-CG2 3.45Å; F78-I434 WeakPolarHBondContact CZ-O 3.3Å; V80-I434 HydrophobicContact CG2-CD1 4.24Å; M96-I434 HydrophobicContact SD-CD1 4.28Å; M96-I434 HydrophobicContact SD-CG1 4.11Å; L98-I434 HydrophobicContact CD1-CG1 4.44Å; L98-I434 HydrophobicContact CD1-CG2 3.86Å; L98-I434 HydrophobicContact CD2-CD1 4.5Å; I423-I434 CarbonylContact C-O 3.58Å; I423-I434 VanDerWaalsContact CA-O 3.27Å; I423-I434 WeakPolarHBondContact CA-O 3.24Å; H424-I434 PolarHBondContact N-O 3.24Å; H424-I434 PolarHBondContact O-N 3.04Å; H426-I434 HydrophobicContact CB-CD1 3.99Å; V432-I434 HydrophobicContact CG1-CD1 4.39Å; I434-F441 HydrophobicContact CG2-CD1 3.92Å; I434-N442 CarbonylContact C-O 3.48Å; I434-N442 VanDerWaalsContact CA-O 3.28Å; I434-N442 WeakPolarHBondContact CA-O 3.36Å; I434-V443 HydrophobicContact CG1-CG1 4.32Å; I434-V443 HydrophobicContact CG1-CG2 3.98Å; I434-V443 HydrophobicContact CG2-CG2 4.15Å
435	S	98.8	Very high	97.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.8	169.9	54.1	0	0	0	0	110.3	Q417 E422 F441 N442	Q417-S435 VanDerWaalsContact OE1-CB 3.29Å; Q417-S435 PolarHBondContact OE1-OG 3.42Å; E422-S435 CarbonylContact O-C 3.57Å; E422-S435 WeakPolarHBondContact O-CA 3.22Å; S435-F441 VanDerWaalsContact O-CA 3.23Å; S435-F441 WeakPolarHBondContact O-CA 3.37Å; S435-N442 PolarHBondContact N-O 3Å; S435-N442 PolarHBondContact O-N 3.34Å
436	T	98.7	Very high	97.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.1	171.1	-160.3	0	0	0	0	110.2	C75 F78 K421 E422 G440 F441	C75-T436 WeakPolarHBondContact O-CG2 3.45Å; C75-T436 PolarHBondContact O-OG1 3.05Å; F78-T436 HydrophobicContact CD1-CG2 3.67Å; F78-T436 HydrophobicContact CE1-CG2 3.95Å; K421-T436 HydrophobicContact CB-CG2 4.16Å; K421-T436 PolarHBondContact N-O 3.1Å; E422-T436 HydrophobicContact CB-CG2 3.91Å; E422-T436 PolarHBondContact N-O 3.11Å; E422-T436 PolarHBondContact O-N 3.04Å; T436-G440 WeakPolarHBondContact CA-O 3.43Å; T436-F441 WeakPolarHBondContact OG1-CE1 3.47Å; T436-F441 WeakPolarHBondContact OG1-CE2 3.21Å; T436-F441 WeakPolarHBondContact OG1-CZ 3.28Å
437	A	98.3	Very high	97	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	173.9	-174.8	0	0	0	0	0	110	Q417 S418 E419 I420 S439 G440	Q417-A437 HydrophobicContact CB-CB 3.83Å; Q417-A437 HydrophobicContact CG-CB 4.37Å; S418-A437 WeakPolarHBondContact O-CB 3.35Å; E419-A437 VanDerWaalsContact O-CA 3.3Å; E419-A437 WeakPolarHBondContact O-CA 3.25Å; I420-A437 HydrophobicContact CG1-CB 4.18Å; A437-S439 PolarHBondContact O-N 3.34Å; A437-G440 PolarHBondContact N-O 3.01Å; A437-G440 PolarHBondContact O-N 3.22Å; A437-G440 VanDerWaalsContact O-N 3.14Å
438	L	97.5	Very high	96.3	Very high	85 Å²	85	16.2 Å²	16.2	45%	0.445	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-36.4	171.2	177.6	62.4	0	0	0	111.5	P74 S418 E419 G440	P74-L438 HydrophobicContact CB-CD1 3.94Å; P74-L438 HydrophobicContact CG-CD1 3.81Å; S418-L438 WeakPolarHBondContact O-CB 3.21Å; S418-L438 PolarHBondContact O-N 3.36Å; E419-L438 HydrophobicContact CB-CB 3.81Å; E419-L438 HydrophobicContact CG-CB 4.42Å; E419-L438 HydrophobicContact CG-CD2 4.39Å; E419-L438 PolarHBondContact O-N 3.29Å; E419-L438 VanDerWaalsContact OE1-CD2 3.32Å; E419-L438 WeakPolarHBondContact OE1-CD2 3.14Å; L438-G440 VanDerWaalsContact C-N 3.29Å; L438-G440 PolarHBondContact O-N 3.17Å
439	S	96.9	Very high	95.3	Very high	36 Å²	36	18 Å²	18	25%	0.252	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-12.2	178.1	44	0	0	0	0	115.3	Q70 Q417 S418 A437	Q70-S439 PolarHBondContact NE2-O 3.04Å; Q417-S439 WeakPolarHBondContact CA-OG 3.27Å; Q417-S439 WeakPolarHBondContact CB-OG 3.33Å; S418-S439 PolarHBondContact N-OG 2.93Å; S418-S439 PolarHBondContact O-N 2.93Å; S418-S439 PolarHBondContact O-OG 3.18Å; S418-S439 WeakPolarHBondContact OG-CB 3.21Å; A437-S439 PolarHBondContact O-N 3.34Å
440	G	97.7	Very high	95.2	Very high	5 Å²	5	18.9 Å²	18.9	5%	0.052	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126	-149.4	-179.8	0	0	0	0	0	113.2	Q417 T436 A437 L438	Q417-G440 PolarHBondContact NE2-O 2.86Å; T436-G440 WeakPolarHBondContact CA-O 3.43Å; A437-G440 PolarHBondContact N-O 3.01Å; A437-G440 PolarHBondContact O-N 3.22Å; A437-G440 VanDerWaalsContact O-N 3.14Å; L438-G440 VanDerWaalsContact C-N 3.29Å; L438-G440 PolarHBondContact O-N 3.17Å
441	F	98.6	Very high	95.2	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.4	178.9	-73.5	-101.4	0	0	0	110.9	E68 C69 T71 C75 F78 L98 A100 M115 I434 S435 T436	E68-F441 CarbonylContact C-O 3.54Å; E68-F441 WeakPolarHBondContact CA-O 3.14Å; C69-F441 PolarHBondContact N-O 3.07Å; C69-F441 PolarHBondContact O-N 3.36Å; T71-F441 HydrophobicContact CG2-CD2 4.21Å; T71-F441 HydrophobicContact CG2-CE2 3.84Å; C75-F441 HydrophobicContact CB-CE2 4Å; C75-F441 HydrophobicContact CB-CZ 3.77Å; F78-F441 HydrophobicContact CB-CE1 3.93Å; F78-F441 HydrophobicContact CB-CZ 4.24Å; F78-F441 AromaticContact CD1-CE1 3.74Å; F78-F441 HydrophobicContact CD1-CE1 3.74Å; F78-F441 HydrophobicContact CD2-CE1 4.22Å; F78-F441 HydrophobicContact CE1-CE1 4.29Å; F78-F441 AromaticContact CG-CE1 3.7Å; F78-F441 HydrophobicContact CG-CE1 3.7Å; F78-F441 HydrophobicContact CG-CZ 4.46Å; L98-F441 HydrophobicContact CD1-CD1 4.46Å; A100-F441 HydrophobicContact CB-CZ 3.98Å; M115-F441 HydrophobicContact CE-CE1 4.23Å; M115-F441 HydrophobicContact CE-CE2 3.92Å; M115-F441 HydrophobicContact CE-CZ 3.75Å; I434-F441 HydrophobicContact CG2-CD1 3.92Å; S435-F441 VanDerWaalsContact O-CA 3.23Å; S435-F441 WeakPolarHBondContact O-CA 3.37Å; T436-F441 WeakPolarHBondContact OG1-CE1 3.47Å; T436-F441 WeakPolarHBondContact OG1-CE2 3.21Å; T436-F441 WeakPolarHBondContact OG1-CZ 3.28Å
442	N	98.5	Very high	95.2	Very high	7 Å²	7	19.1 Å²	19.1	4%	0.037	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	140.1	164.8	-71.5	9.7	0	0	0	108.8	Y66 H67 H414 Q417 I434 S435 F444	Y66-N442 HydrophobicContact CE2-CB 4.47Å; Y66-N442 PolarHBondContact OH-ND2 3.04Å; H67-N442 CarbonylContact O-C 3.6Å; H67-N442 WeakPolarHBondContact O-CA 3.36Å; H414-N442 PolarHBondContact CE1-ND2 3.29Å; H414-N442 VanDerWaalsContact CE1-ND2 3.29Å; H414-N442 PolarHBondContact NE2-ND2 2.59Å; Q417-N442 HydrophobicContact CG-CB 4.45Å; Q417-N442 WeakPolarHBondContact CG-ND2 3.28Å; Q417-N442 VanDerWaalsContact NE2-CG 3.25Å; Q417-N442 PolarHBondContact NE2-OD1 3.25Å; Q417-N442 VanDerWaalsContact NE2-OD1 3.17Å; I434-N442 CarbonylContact C-O 3.48Å; I434-N442 VanDerWaalsContact CA-O 3.28Å; I434-N442 WeakPolarHBondContact CA-O 3.36Å; S435-N442 PolarHBondContact N-O 3Å; S435-N442 PolarHBondContact O-N 3.34Å; N442-F444 HydrophobicContact CB-CD1 4.11Å
443	V	98.2	Very high	95	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	114.2	174.8	178.5	0	0	0	0	107.3	M65 Y66 H67 M96 M117 L120 V432 M433 I434	M65-V443 HydrophobicContact CE-CG1 3.81Å; Y66-V443 CarbonylContact C-O 3.53Å; Y66-V443 WeakPolarHBondContact CA-O 3.4Å; H67-V443 HydrophobicContact CB-CB 4.41Å; H67-V443 PolarHBondContact N-O 2.66Å; H67-V443 PolarHBondContact O-N 2.85Å; M96-V443 HydrophobicContact CE-CG1 3.56Å; M96-V443 HydrophobicContact SD-CG1 3.79Å; M96-V443 HydrophobicContact SD-CG2 4.2Å; M117-V443 HydrophobicContact CE-CG2 4.21Å; M117-V443 HydrophobicContact SD-CG2 3.62Å; L120-V443 HydrophobicContact CD1-CG1 4.32Å; V432-V443 HydrophobicContact CG1-CG1 4.08Å; M433-V443 WeakPolarHBondContact O-CA 3.43Å; I434-V443 HydrophobicContact CG1-CG1 4.32Å; I434-V443 HydrophobicContact CG1-CG2 3.98Å; I434-V443 HydrophobicContact CG2-CG2 4.15Å
444	F	97.7	Very high	94.8	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.4	-169.9	62.9	-87	0	0	0	113.1	Y63 M65 Y66 V384 H414 V432 M433 N442 T446	Y63-F444 HydrophobicContact CD1-CB 3.98Å; Y63-F444 HydrophobicContact CD1-CD2 4.43Å; Y63-F444 HydrophobicContact CE1-CB 4.15Å; Y63-F444 HydrophobicContact CE1-CD2 4.12Å; Y63-F444 HydrophobicContact CE1-CG 4.33Å; M65-F444 CarbonylContact O-C 3.43Å; M65-F444 WeakPolarHBondContact O-CA 3.44Å; Y66-F444 HydrophobicContact CD2-CB 3.84Å; V384-F444 HydrophobicContact CG1-CZ 4.34Å; H414-F444 HydrophobicContact CB-CE2 4.14Å; H414-F444 HydrophobicContact CB-CZ 4.12Å; H414-F444 AromaticContact CD2-CE1 3.6Å; H414-F444 AromaticContact CD2-CZ 3.74Å; H414-F444 AromaticContact CG-CZ 3.91Å; H414-F444 AromaticContact NE2-CE1 3.97Å; V432-F444 WeakPolarHBondContact CA-O 3.41Å; M433-F444 HydrophobicContact CB-CD2 4.29Å; M433-F444 HydrophobicContact CB-CE1 4.09Å; M433-F444 HydrophobicContact CB-CE2 3.84Å; M433-F444 HydrophobicContact CB-CZ 3.73Å; M433-F444 HydrophobicContact CG-CE2 4.43Å; M433-F444 PolarHBondContact N-O 2.88Å; M433-F444 PolarHBondContact O-N 2.89Å; M433-F444 HydrophobicContact SD-CE2 4.18Å; M433-F444 HydrophobicContact SD-CZ 4.22Å; N442-F444 HydrophobicContact CB-CD1 4.11Å; F444-T446 HydrophobicContact CD2-CG2 4.04Å; F444-T446 HydrophobicContact CE2-CG2 4.27Å
445	R	96.5	Very high	94.6	Very high	14 Å²	14	22.5 Å²	22.5	5%	0.053	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	120.4	169.6	-179.3	173.2	-176.6	-172.7	5.5	107.8	Y63 R64 M65 P430 V432	Y63-R445 CarbonylContact C-O 3.54Å; Y63-R445 WeakPolarHBondContact CA-O 3.01Å; R64-R445 HydrophobicContact CB-CB 4.37Å; R64-R445 HydrophobicContact CB-CG 4.21Å; R64-R445 PolarHBondContact N-O 3.13Å; M65-R445 HydrophobicContact CB-CB 4.09Å; M65-R445 HydrophobicContact CE-CB 4.47Å; M65-R445 PolarHBondContact N-O 3.48Å; M65-R445 PolarHBondContact O-N 3.35Å; P430-R445 VanDerWaalsContact O-CZ 3.31Å; P430-R445 PolarHBondContact O-NE 3.21Å; V432-R445 HydrophobicContact CG2-CB 4.2Å
446	T	94.9	Very high	94.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	168.1	-179.4	63.8	0	0	0	0	110.2	Q386 F412 F444 S448	Q386-T446 PolarHBondContact OE1-OG1 2.8Å; F412-T446 HydrophobicContact CB-CG2 4.43Å; F412-T446 HydrophobicContact CD1-CG2 3.57Å; F412-T446 HydrophobicContact CD2-CG2 3.83Å; F412-T446 HydrophobicContact CE1-CG2 3.64Å; F412-T446 HydrophobicContact CE2-CG2 3.86Å; F412-T446 HydrophobicContact CG-CG2 3.68Å; F412-T446 HydrophobicContact CZ-CG2 3.79Å; F444-T446 HydrophobicContact CD2-CG2 4.04Å; F444-T446 HydrophobicContact CE2-CG2 4.27Å; T446-S448 PolarHBondContact O-N 3.32Å
447	I	89.9	Confident	93.9	Very high	90 Å²	90	25.9 Å²	25.9	46%	0.462	15%	0.15	S	C	.	.	S	Bend	trans	-71.2	-20.7	170.9	57.5	173.2	0	0	0	113	S61 A62 R64	S61-I447 WeakPolarHBondContact O-CG2 3.45Å; A62-I447 PolarHBondContact O-N 3.21Å; A62-I447 VanDerWaalsContact O-N 3.14Å; R64-I447 HydrophobicContact CG-CG2 4.12Å; R64-I447 PolarHBondContact NH2-O 2.99Å
448	S	81	Confident	93.6	Very high	54 Å²	54	28.1 Å²	28.1	38%	0.378	16%	0.163	S	C	.	.			trans	-82.6	-22.2	-171.2	-52	0	0	0	0	114.3	T446	T446-S448 PolarHBondContact O-N 3.32Å
449	V	75.5	Confident	93.2	Very high	43 Å²	43	22.9 Å²	22.9	26%	0.261	14%	0.137	S	C	.	.			trans	-133.8	0	-173.7	-167.8	0	0	0	0	113.1	V374 L411 W425	V374-V449 HydrophobicContact CG1-CG1 4.21Å; V374-V449 HydrophobicContact CG1-CG2 4.34Å; L411-V449 HydrophobicContact CD1-CG2 3.94Å; W425-V449 HydrophobicContact CH2-CB 4.24Å; W425-V449 HydrophobicContact CH2-CG1 3.85Å; W425-V449 HydrophobicContact CH2-CG2 4.3Å; W425-V449 HydrophobicContact CZ3-CB 4.39Å; W425-V449 HydrophobicContact CZ3-CG1 3.9Å

Retrieved 449 of 449 residues in 853.1 ms (Link to these results)

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