X5DNW2_HUMAN Loading...

Netrin G1 isoform A

AlphaFold DB , UniProt , Accession X5DNW2, Species HUMAN (Homo sapiens, Human), Gene NTNG1, Length 480 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	49.7	Very low	43.8	Very low	222 Å²	222	143.2 Å²	143.2	100%	1.094	71%	0.714	S	S	*	*				0	35.4	0	-76.7	167.1	66.6	0	0	113.4
2	Y	42.3	Very low	43.5	Very low	209 Å²	209	140.8 Å²	140.8	82%	0.82	71%	0.705	S	S	*	*			trans	-122	4.1	180	-90.3	-82.1	0	0	0	114.7
3	L	42.8	Very low	43	Very low	153 Å²	153	145.9 Å²	145.9	80%	0.801	71%	0.711	S	S	*	*	S	Bend	trans	-98	-15.2	175.5	-117.8	80.2	0	0	0	114
4	S	42.7	Very low	42.8	Very low	99 Å²	99	142.4 Å²	142.4	69%	0.692	70%	0.702	S	S	*	*	H	α-helix	trans	-88.7	-16.3	-176.8	179	0	0	0	0	113.3
5	R	41.8	Very low	42.7	Very low	200 Å²	200	138.8 Å²	138.8	76%	0.755	69%	0.691	S	S	*	*	H	α-helix	trans	-89.7	-16.2	-179.6	-67.9	-158.8	177.4	-141.7	1.4	114.9
6	F	42.6	Very low	42.3	Very low	161 Å²	161	136.9 Å²	136.9	71%	0.706	69%	0.69	S	S	*	*	H	α-helix	trans	-82.4	-27.6	175.7	-94.7	-83.4	0	0	0	113.5
7	L	44	Very low	42	Very low	136 Å²	136	134.2 Å²	134.2	71%	0.712	69%	0.686	S	S	*	*	H	α-helix	trans	-77.6	-22.5	178.4	-81.9	152.6	0	0	0	113.4
8	S	45.6	Very low	41.7	Very low	75 Å²	75	132 Å²	132	52%	0.524	69%	0.685	S	S	.	*	H	α-helix	trans	-80.8	-21.8	178.9	-132.4	0	0	0	0	113.5
9	I	46.1	Very low	41.6	Very low	124 Å²	124	131.8 Å²	131.8	64%	0.636	69%	0.69	S	S	*	*	H	α-helix	trans	-86	-27.8	-179.8	-62.4	173.7	0	0	0	111.1
10	H	40.6	Very low	41.2	Very low	138 Å²	138	133.4 Å²	133.4	64%	0.639	70%	0.696	S	S	*	*	H	α-helix	trans	-73.4	-29.3	170.7	-98.8	-67.9	0	0	0	113.5	L12 V14	H10-L12 VanDerWaalsContact C-N 3.35Å; H10-L12 PolarHBondContact O-N 3.33Å; H10-V14 WeakPolarHBondContact O-CG2 3.04Å; H10-V14 PolarHBondContact O-N 3.48Å
11	A	43.6	Very low	40.8	Very low	58 Å²	58	135.4 Å²	135.4	48%	0.479	70%	0.701	S	S	.	*	H	α-helix	trans	-74.4	-22.6	178.9	0	0	0	0	0	113.7	T15	A11-T15 WeakPolarHBondContact O-CG2 3.29Å; A11-T15 PolarHBondContact O-OG1 3.19Å
12	L	40.6	Very low	39.8	Very low	115 Å²	115	130.2 Å²	130.2	60%	0.602	68%	0.684	S	S	*	*	H	α-helix	trans	-87	-20.1	176.4	-99.7	127.1	0	0	0	113.9	H10 V16	H10-L12 VanDerWaalsContact C-N 3.35Å; H10-L12 PolarHBondContact O-N 3.33Å; L12-V16 WeakPolarHBondContact O-CG2 2.95Å
13	W	36.6	Very low	39.1	Very low	207 Å²	207	130.3 Å²	130.3	78%	0.784	69%	0.685	S	S	*	*	H	α-helix	trans	-83.6	-27.4	172.4	-113.1	34.9	0	0	0	113.3	S17	W13-S17 PolarHBondContact O-N 3.05Å; W13-S17 PolarHBondContact O-OG 3.38Å
14	V	40.2	Very low	38.6	Very low	96 Å²	96	127.8 Å²	127.8	58%	0.582	68%	0.678	S	S	*	*	H	α-helix	trans	-77.7	-25.6	176.6	177.7	0	0	0	0	112.1	H10 S18	H10-V14 WeakPolarHBondContact O-CG2 3.04Å; H10-V14 PolarHBondContact O-N 3.48Å; V14-S18 PolarHBondContact O-OG 3.14Å
15	T	41.5	Very low	38.2	Very low	89 Å²	89	131.5 Å²	131.5	55%	0.546	69%	0.689	S	S	.	*	H	α-helix	trans	-89.5	-25.9	-179.5	47	0	0	0	0	114	A11	A11-T15 WeakPolarHBondContact O-CG2 3.29Å; A11-T15 PolarHBondContact O-OG1 3.19Å
16	V	36.3	Very low	37.8	Very low	109 Å²	109	128 Å²	128	66%	0.661	69%	0.69	S	S	*	*	H	α-helix	trans	-81.7	-18.7	172.2	179.8	0	0	0	0	112.3	L12 S18	L12-V16 WeakPolarHBondContact O-CG2 2.95Å; V16-S18 VanDerWaalsContact C-N 3.27Å; V16-S18 PolarHBondContact O-N 2.84Å
17	S	37.3	Very low	37.4	Very low	91 Å²	91	128.5 Å²	128.5	64%	0.636	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-5.6	173.5	-54.7	0	0	0	0	113.8	W13	W13-S17 PolarHBondContact O-N 3.05Å; W13-S17 PolarHBondContact O-OG 3.38Å
18	S	36.8	Very low	37.7	Very low	94 Å²	94	123.7 Å²	123.7	66%	0.657	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	6.1	-177.1	-61.4	0	0	0	0	114.1	V14 V16	V14-S18 PolarHBondContact O-OG 3.14Å; V16-S18 VanDerWaalsContact C-N 3.27Å; V16-S18 PolarHBondContact O-N 2.84Å
19	V	40.3	Very low	38.9	Very low	129 Å²	129	124.7 Å²	124.7	78%	0.782	67%	0.666	S	S	*	*	S	Bend	trans	-127.6	44	171.2	-166.4	0	0	0	0	110.7
20	M	33.1	Very low	41	Very low	163 Å²	163	119 Å²	119	80%	0.803	64%	0.637	S	S	*	*			trans	-133.1	90.4	145.5	-75.8	-168.3	82.2	0	0	105.3	P22	M20-P22 WeakPolarHBondContact O-CD 3.47Å; M20-P22 VanDerWaalsContact O-N 3.1Å
21	Q	32.1	Very low	43.4	Very low	175 Å²	175	115.4 Å²	115.4	82%	0.818	62%	0.622	S	S	*	*			trans	-48.1	122.3	151.1	-89.2	171.6	-47.2	0	0	105.3	Y23	Q21-Y23 VanDerWaalsContact C-N 3.29Å; Q21-Y23 PolarHBondContact O-N 2.81Å
22	P	29.7	Very low	45.8	Very low	113 Å²	113	115.8 Å²	115.8	73%	0.734	62%	0.616	S	S	*	*			trans	-57	113	156.9	14.9	-8.9	0	0	0	103.1	M20 P24	M20-P22 WeakPolarHBondContact O-CD 3.47Å; M20-P22 VanDerWaalsContact O-N 3.1Å; P22-P24 WeakPolarHBondContact O-CD 3.35Å
23	Y	27.9	Very low	48.4	Very low	211 Å²	211	110.8 Å²	110.8	83%	0.827	59%	0.59	S	S	*	*			trans	-46.4	115.5	154.2	-85.8	-88.6	0	0	0	103.9	Q21 L25	Q21-Y23 VanDerWaalsContact C-N 3.29Å; Q21-Y23 PolarHBondContact O-N 2.81Å; Y23-L25 VanDerWaalsContact C-N 3.3Å; Y23-L25 PolarHBondContact O-N 3.44Å
24	P	30.8	Very low	51.1	Low	101 Å²	101	104.3 Å²	104.3	66%	0.656	57%	0.568	S	S	*	*			trans	-61.3	108.2	175.3	21.7	-25.4	0	0	0	104.7	P22 V26 W27	P22-P24 WeakPolarHBondContact O-CD 3.35Å; P24-V26 PolarHBondContact O-N 3.12Å; P24-W27 PolarHBondContact O-N 3.19Å
25	L	34.8	Very low	53.7	Low	177 Å²	177	101.7 Å²	101.7	93%	0.927	55%	0.552	S	S	*	*	S	Bend	trans	-64.3	17.6	168.7	-95	149.6	0	0	0	111.6	Y23	Y23-L25 VanDerWaalsContact C-N 3.3Å; Y23-L25 PolarHBondContact O-N 3.44Å
26	V	33	Very low	56.1	Low	127 Å²	127	102.7 Å²	102.7	77%	0.77	55%	0.55	S	S	*	*			trans	-136.6	52.1	-178.3	-163.7	0	0	0	0	107.6	P24 G28	P24-V26 PolarHBondContact O-N 3.12Å; V26-G28 PolarHBondContact O-N 2.75Å
27	W	34.3	Very low	58.7	Low	171 Å²	171	100.5 Å²	100.5	65%	0.648	53%	0.534	S	S	*	.			trans	-77.6	110.5	146.3	-152.2	3.3	0	0	0	104.6	P24 H29 D31 L32	P24-W27 PolarHBondContact O-N 3.19Å; W27-H29 PolarHBondContact O-N 2.85Å; W27-H29 VanDerWaalsContact O-N 3.08Å; W27-D31 PolarHBondContact NE1-OD1 3.39Å; W27-D31 PolarHBondContact NE1-OD2 2.02Å; W27-L32 HydrophobicContact CZ2-CD1 3.98Å
28	G	50.6	Low	61.2	Low	35 Å²	35	104.8 Å²	104.8	36%	0.361	54%	0.538	S	S	.	.			trans	-52.5	120.7	174.3	0	0	0	0	0	107.5	V26 Y30 D31	V26-G28 PolarHBondContact O-N 2.75Å; G28-Y30 PolarHBondContact O-N 3.11Å; G28-D31 VanDerWaalsContact O-CG 3.29Å; G28-D31 PolarHBondContact O-N 3.42Å
29	H	70.7	Confident	63.6	Low	96 Å²	96	102.9 Å²	102.9	44%	0.444	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	121.4	175.8	-81.5	59.5	0	0	0	107.1	W27 Q51	W27-H29 PolarHBondContact O-N 2.85Å; W27-H29 VanDerWaalsContact O-N 3.08Å; H29-Q51 PolarHBondContact O-NE2 2.03Å
30	Y	89.7	Confident	65.8	Low	4 Å²	4	106.7 Å²	106.7	2%	0.016	53%	0.532	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	40	177.3	-43	-77	0	0	0	114.7	G28 A49 C50 Q51 Y244 Y343 P347	G28-Y30 PolarHBondContact O-N 3.11Å; Y30-A49 WeakPolarHBondContact CB-O 3.44Å; Y30-A49 HydrophobicContact CD1-CB 3.76Å; Y30-A49 WeakPolarHBondContact CD1-O 3.5Å; Y30-A49 HydrophobicContact CE1-CB 4.22Å; Y30-C50 CarbonylContact O-C 3.58Å; Y30-C50 WeakPolarHBondContact O-CA 3.46Å; Y30-Q51 PolarHBondContact O-N 2.02Å; Y30-Y244 HydrophobicContact CE2-CD2 4.45Å; Y30-Y244 HydrophobicContact CE2-CE2 4.01Å; Y30-Y343 AromaticContact CD2-CD1 3.71Å; Y30-Y343 HydrophobicContact CD2-CD1 3.71Å; Y30-Y343 AromaticContact CD2-CE1 3.95Å; Y30-Y343 HydrophobicContact CD2-CE1 3.95Å; Y30-Y343 HydrophobicContact CE1-CD1 4.29Å; Y30-Y343 AromaticContact CE2-CD1 3.33Å; Y30-Y343 HydrophobicContact CE2-CD1 3.33Å; Y30-Y343 AromaticContact CE2-CE1 3.97Å; Y30-Y343 HydrophobicContact CE2-CE1 3.97Å; Y30-Y343 HydrophobicContact CE2-CG 4.32Å; Y30-Y343 HydrophobicContact CG-CD1 4.37Å; Y30-Y343 AromaticContact CZ-CD1 3.66Å; Y30-Y343 PolarHBondContact OH-O 3.41Å; Y30-P347 WeakPolarHBondContact CE1-O 3.29Å
31	D	92	Very high	68.2	Low	62 Å²	62	107.9 Å²	107.9	33%	0.332	54%	0.535	S	S	.	.			trans	-85.2	-11.9	178.9	64.5	-20.8	0	0	0	114.9	W27 G28 T304	W27-D31 PolarHBondContact NE1-OD1 3.39Å; W27-D31 PolarHBondContact NE1-OD2 2.02Å; G28-D31 VanDerWaalsContact O-CG 3.29Å; G28-D31 PolarHBondContact O-N 3.42Å; D31-T304 VanDerWaalsContact C-CG2 3.49Å; D31-T304 WeakPolarHBondContact O-CG2 3.43Å
32	L	93.5	Very high	70.9	Confident	67 Å²	67	101.1 Å²	101.1	35%	0.351	51%	0.512	S	S	.	.			trans	-120.7	132.2	179.7	-68.4	167.3	0	0	0	110.4	W27 T35 M48 C50	W27-L32 HydrophobicContact CZ2-CD1 3.98Å; L32-T35 HydrophobicContact CD1-CG2 4.3Å; L32-M48 HydrophobicContact CB-CE 4.19Å; L32-M48 HydrophobicContact CB-SD 4.3Å; L32-M48 WeakPolarHBondContact O-CG 3.01Å; L32-C50 WeakPolarHBondContact O-CB 3.45Å
33	C	95.7	Very high	73.7	Confident	9 Å²	9	102 Å²	102	6%	0.061	51%	0.505	C	S	.	.	S	Bend	trans	-88.3	-30.4	175.3	-58.9	0	0	0	0	113.2	Y47 M48 C50 E318 H319	C33-Y47 WeakPolarHBondContact O-CA 3.39Å; C33-M48 PolarHBondContact O-N 3.2Å; C33-C50 VanDerWaalsContact CA-SG 3.54Å; C33-C50 HydrophobicContact CB-CB 3.77Å; C33-C50 WeakPolarHBondContact CB-SG 3.02Å; C33-C50 WeakPolarHBondContact SG-CB 3.26Å; C33-C50 CovalentContact SG-SG 2.03Å; C33-C50 PolarHBondContact SG-SG 3.23Å; C33-E318 HydrophobicContact CB-CB 3.98Å; C33-E318 HydrophobicContact CB-CG 4.02Å; C33-H319 PolarHBondContact O-NE2 2.82Å
34	K	93.6	Very high	76.7	Confident	71 Å²	71	95 Å²	95	31%	0.309	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	145.6	-176.6	63.9	-165.2	173.9	-151.1	0	111.8	W45 D46 Y47 E318	K34-W45 HydrophobicContact CB-CE3 3.96Å; K34-W45 HydrophobicContact CB-CZ3 4.48Å; K34-W45 HydrophobicContact CD-CD2 4.39Å; K34-W45 HydrophobicContact CD-CE3 4.07Å; K34-W45 HydrophobicContact CD-CZ3 4.26Å; K34-W45 HydrophobicContact CG-CE3 3.8Å; K34-W45 HydrophobicContact CG-CZ3 3.89Å; K34-D46 CarbonylContact C-O 3.51Å; K34-D46 VanDerWaalsContact CA-O 3.24Å; K34-D46 WeakPolarHBondContact CA-O 3.43Å; K34-Y47 HydrophobicContact CB-CD1 3.73Å; K34-Y47 HydrophobicContact CB-CE1 3.93Å; K34-Y47 HydrophobicContact CD-CE1 4.09Å; K34-E318 IonicContact NZ-OE1 2.72Å; K34-E318 PolarHBondContact NZ-OE1 3.42Å; K34-E318 IonicContact NZ-OE2 2.87Å; K34-E318 PolarHBondContact NZ-OE2 3.33Å
35	T	93.6	Very high	79.6	Confident	42 Å²	42	95.6 Å²	95.6	26%	0.258	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.3	173.8	60.5	0	0	0	0	109.9	L32 W45 D46 M48	L32-T35 HydrophobicContact CD1-CG2 4.3Å; T35-W45 WeakPolarHBondContact O-CA 3.3Å; T35-D46 PolarHBondContact N-O 3.39Å; T35-D46 PolarHBondContact O-N 3.09Å; T35-M48 HydrophobicContact CG2-SD 4.2Å
36	Q	91.6	Very high	82.4	Confident	109 Å²	109	89.4 Å²	89.4	51%	0.509	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.8	174.3	-68.5	-173.2	-2.2	0	0	109.4	W45	Q36-W45 HydrophobicContact CB-CZ3 4.5Å; Q36-W45 HydrophobicContact CG-CD2 4.13Å; Q36-W45 HydrophobicContact CG-CE3 3.65Å; Q36-W45 HydrophobicContact CG-CH2 3.54Å; Q36-W45 HydrophobicContact CG-CZ2 4Å; Q36-W45 HydrophobicContact CG-CZ3 3.35Å
37	I	91.4	Very high	85.4	Confident	63 Å²	63	87 Å²	87	32%	0.323	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	152.9	173.7	61.8	164.3	0	0	0	110.3	T39 K43 V44 D46	I37-T39 HydrophobicContact CD1-CG2 3.92Å; I37-T39 HydrophobicContact CG1-CG2 4.18Å; I37-K43 WeakPolarHBondContact O-CA 3.45Å; I37-V44 WeakPolarHBondContact CG1-O 3.2Å; I37-V44 PolarHBondContact N-O 3.15Å; I37-V44 PolarHBondContact O-N 3.5Å; I37-D46 HydrophobicContact CB-CB 4.46Å; I37-D46 HydrophobicContact CD1-CB 3.88Å; I37-D46 HydrophobicContact CG1-CB 3.94Å; I37-D46 HydrophobicContact CG2-CB 3.72Å
38	Y	90.2	Very high	88.3	Confident	181 Å²	181	79.5 Å²	79.5	71%	0.71	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.4	173.3	-65.7	-92.2	0	0	0	108.7	K43	Y38-K43 HydrophobicContact CD1-CG 3.91Å; Y38-K43 HydrophobicContact CE1-CD 4.08Å; Y38-K43 HydrophobicContact CE1-CG 3.73Å; Y38-K43 VanDerWaalsContact CZ-CE 3.41Å; Y38-K43 WeakPolarHBondContact OH-CE 2.98Å; Y38-K43 PolarHBondContact OH-NZ 3.15Å
39	T	87.4	Confident	90.5	Very high	55 Å²	55	77.8 Å²	77.8	34%	0.337	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	168.1	174.8	64.7	0	0	0	0	109.3	I37 E41 G42 V44	I37-T39 HydrophobicContact CD1-CG2 3.92Å; I37-T39 HydrophobicContact CG1-CG2 4.18Å; T39-E41 PolarHBondContact O-N 3.47Å; T39-E41 VanDerWaalsContact O-N 3.13Å; T39-G42 PolarHBondContact N-O 2.98Å; T39-G42 PolarHBondContact O-N 2.82Å; T39-G42 PolarHBondContact OG1-O 2.94Å; T39-V44 HydrophobicContact CG2-CB 4.34Å; T39-V44 HydrophobicContact CG2-CG2 4.37Å; T39-V44 WeakPolarHBondContact OG1-CG2 3.46Å
40	E	86.9	Confident	91.8	Very high	208 Å²	208	73.2 Å²	73.2	97%	0.972	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.1	176.2	-61.6	-173.4	171.3	0	0	112.4	G42	E40-G42 VanDerWaalsContact C-N 3.34Å
41	E	82.8	Confident	92	Very high	188 Å²	188	74.2 Å²	74.2	88%	0.879	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	1.8	178.7	-60	175.6	-179.2	0	0	113.2	T39	T39-E41 PolarHBondContact O-N 3.47Å; T39-E41 VanDerWaalsContact O-N 3.13Å
42	G	88.7	Confident	92.2	Very high	33 Å²	33	71.7 Å²	71.7	34%	0.34	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	111.7	-156.9	180	0	0	0	0	0	113.8	T39 E40	T39-G42 PolarHBondContact N-O 2.98Å; T39-G42 PolarHBondContact O-N 2.82Å; T39-G42 PolarHBondContact OG1-O 2.94Å; E40-G42 VanDerWaalsContact C-N 3.34Å
43	K	88.9	Confident	92.2	Very high	132 Å²	132	76.8 Å²	76.8	57%	0.574	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	118.9	178.9	-72.8	-176.6	177.7	-173.6	0	110.4	I37 Y38	I37-K43 WeakPolarHBondContact O-CA 3.45Å; Y38-K43 HydrophobicContact CD1-CG 3.91Å; Y38-K43 HydrophobicContact CE1-CD 4.08Å; Y38-K43 HydrophobicContact CE1-CG 3.73Å; Y38-K43 VanDerWaalsContact CZ-CE 3.41Å; Y38-K43 WeakPolarHBondContact OH-CE 2.98Å; Y38-K43 PolarHBondContact OH-NZ 3.15Å
44	V	91.4	Very high	92.1	Very high	64 Å²	64	78.8 Å²	78.8	39%	0.388	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	151.7	180	-177.1	0	0	0	0	109.7	I37 T39	I37-V44 WeakPolarHBondContact CG1-O 3.2Å; I37-V44 PolarHBondContact N-O 3.15Å; I37-V44 PolarHBondContact O-N 3.5Å; T39-V44 HydrophobicContact CG2-CB 4.34Å; T39-V44 HydrophobicContact CG2-CG2 4.37Å; T39-V44 WeakPolarHBondContact OG1-CG2 3.46Å
45	W	91.7	Very high	92.1	Very high	114 Å²	114	77.9 Å²	77.9	43%	0.432	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121	172.7	-68.7	108.4	0	0	0	110.6	K34 T35 Q36 Y47	K34-W45 HydrophobicContact CB-CE3 3.96Å; K34-W45 HydrophobicContact CB-CZ3 4.48Å; K34-W45 HydrophobicContact CD-CD2 4.39Å; K34-W45 HydrophobicContact CD-CE3 4.07Å; K34-W45 HydrophobicContact CD-CZ3 4.26Å; K34-W45 HydrophobicContact CG-CE3 3.8Å; K34-W45 HydrophobicContact CG-CZ3 3.89Å; T35-W45 WeakPolarHBondContact O-CA 3.3Å; Q36-W45 HydrophobicContact CB-CZ3 4.5Å; Q36-W45 HydrophobicContact CG-CD2 4.13Å; Q36-W45 HydrophobicContact CG-CE3 3.65Å; Q36-W45 HydrophobicContact CG-CH2 3.54Å; Q36-W45 HydrophobicContact CG-CZ2 4Å; Q36-W45 HydrophobicContact CG-CZ3 3.35Å; W45-Y47 HydrophobicContact CB-CD2 4.48Å; W45-Y47 HydrophobicContact CB-CE1 4.35Å; W45-Y47 HydrophobicContact CB-CE2 3.84Å
46	D	92.9	Very high	92.2	Very high	46 Å²	46	78 Å²	78	25%	0.246	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.3	165.7	-173.8	28.5	0	0	0	108.5	K34 T35 I37 K348	K34-D46 CarbonylContact C-O 3.51Å; K34-D46 VanDerWaalsContact CA-O 3.24Å; K34-D46 WeakPolarHBondContact CA-O 3.43Å; T35-D46 PolarHBondContact N-O 3.39Å; T35-D46 PolarHBondContact O-N 3.09Å; I37-D46 HydrophobicContact CB-CB 4.46Å; I37-D46 HydrophobicContact CD1-CB 3.88Å; I37-D46 HydrophobicContact CG1-CB 3.94Å; I37-D46 HydrophobicContact CG2-CB 3.72Å; D46-K348 IonicContact OD2-NZ 2.73Å; D46-K348 PolarHBondContact OD2-NZ 3.3Å
47	Y	95.6	Very high	92.4	Very high	77 Å²	77	72.9 Å²	72.9	30%	0.302	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.4	-177.6	-63.6	-80.8	0	0	0	110.5	C33 K34 W45 H319 T353	C33-Y47 WeakPolarHBondContact O-CA 3.39Å; K34-Y47 HydrophobicContact CB-CD1 3.73Å; K34-Y47 HydrophobicContact CB-CE1 3.93Å; K34-Y47 HydrophobicContact CD-CE1 4.09Å; W45-Y47 HydrophobicContact CB-CD2 4.48Å; W45-Y47 HydrophobicContact CB-CE1 4.35Å; W45-Y47 HydrophobicContact CB-CE2 3.84Å; Y47-H319 AromaticContact CD1-CD2 3.63Å; Y47-T353 HydrophobicContact CD1-CG2 4.22Å; Y47-T353 HydrophobicContact CD2-CG2 4.08Å; Y47-T353 HydrophobicContact CG-CG2 3.72Å
48	M	95.6	Very high	92.5	Very high	13 Å²	13	70.6 Å²	70.6	6%	0.064	35%	0.345	C	S	.	.			trans	-132	163	-176.3	60.3	-161.2	-94.1	0	0	110.8	L32 C33 T35 H319 K348	L32-M48 HydrophobicContact CB-CE 4.19Å; L32-M48 HydrophobicContact CB-SD 4.3Å; L32-M48 WeakPolarHBondContact O-CG 3.01Å; C33-M48 PolarHBondContact O-N 3.2Å; T35-M48 HydrophobicContact CG2-SD 4.2Å; M48-H319 PolarHBondContact O-CE1 3.04Å; M48-H319 PolarHBondContact O-NE2 3.12Å; M48-K348 HydrophobicContact CB-CB 4.16Å; M48-K348 WeakPolarHBondContact CB-O 3.27Å; M48-K348 HydrophobicContact CE-CG 4.29Å
49	A	96.8	Very high	92.6	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.337	C	S	.	.			trans	-64.6	142.7	179.4	0	0	0	0	0	110.1	Y30 L301 S342 K348	Y30-A49 WeakPolarHBondContact CB-O 3.44Å; Y30-A49 HydrophobicContact CD1-CB 3.76Å; Y30-A49 WeakPolarHBondContact CD1-O 3.5Å; Y30-A49 HydrophobicContact CE1-CB 4.22Å; A49-L301 HydrophobicContact CB-CB 4.27Å; A49-L301 HydrophobicContact CB-CD1 4.35Å; A49-S342 VanDerWaalsContact CB-O 3.3Å; A49-S342 WeakPolarHBondContact CB-O 3.47Å; A49-K348 PolarHBondContact N-O 2.85Å
50	C	96.9	Very high	93	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-147.7	139.2	-175.9	72.4	0	0	0	0	113.6	Y30 L32 C33 L301 H302 A303 T304 H319	Y30-C50 CarbonylContact O-C 3.58Å; Y30-C50 WeakPolarHBondContact O-CA 3.46Å; L32-C50 WeakPolarHBondContact O-CB 3.45Å; C33-C50 VanDerWaalsContact CA-SG 3.54Å; C33-C50 HydrophobicContact CB-CB 3.77Å; C33-C50 WeakPolarHBondContact CB-SG 3.02Å; C33-C50 WeakPolarHBondContact SG-CB 3.26Å; C33-C50 CovalentContact SG-SG 2.03Å; C33-C50 PolarHBondContact SG-SG 3.23Å; C50-L301 PolarHBondContact N-O 2.91Å; C50-L301 VanDerWaalsContact N-O 3.16Å; C50-L301 CarbonylContact O-C 3.48Å; C50-L301 WeakPolarHBondContact O-CA 3.02Å; C50-H302 PolarHBondContact O-N 3.16Å; C50-H302 VanDerWaalsContact SG-C 3.53Å; C50-A303 CarbonylContact C-O 3.54Å; C50-A303 PolarHBondContact O-N 3Å; C50-A303 PolarHBondContact SG-N 3.19Å; C50-A303 VanDerWaalsContact SG-N 3.36Å; C50-T304 HydrophobicContact CB-CG2 3.63Å; C50-H319 VanDerWaalsContact SG-CE1 3.57Å
51	Q	95.8	Very high	93.3	Very high	25 Å²	25	59.6 Å²	59.6	12%	0.117	29%	0.293	C	S	.	.			trans	-137.6	152.8	-173.4	71.8	-166.3	-9.7	0	0	112.2	H29 Y30 L301 A303 Y343	H29-Q51 PolarHBondContact O-NE2 2.03Å; Y30-Q51 PolarHBondContact O-N 2.02Å; Q51-L301 HydrophobicContact CB-CD2 3.84Å; Q51-A303 CarbonylContact C-O 3.43Å; Q51-A303 WeakPolarHBondContact CA-O 3.29Å; Q51-A303 PolarHBondContact N-O 3.14Å; Q51-Y343 VanDerWaalsContact OE1-CE1 3.28Å; Q51-Y343 PolarHBondContact OE1-OH 2.82Å
52	P	95.8	Very high	93.9	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.058	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-71.8	154.6	174.7	-16.2	32.7	0	0	0	112.2	C297 C299 A303 T304	P52-C297 HydrophobicContact CG-CB 4.21Å; P52-C299 HydrophobicContact CG-CB 4.43Å; P52-C299 VanDerWaalsContact CG-SG 3.55Å; P52-A303 WeakPolarHBondContact CD-O 3.48Å; P52-T304 VanDerWaalsContact CA-O 3.25Å; P52-T304 WeakPolarHBondContact CA-O 3.49Å; P52-T304 WeakPolarHBondContact CB-O 3.36Å
53	E	92.1	Very high	94.4	Very high	173 Å²	173	55.9 Å²	55.9	81%	0.808	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-61.9	146.4	172.8	-164.4	179.6	176	0	0	111.1
54	S	94.1	Very high	94.8	Very high	52 Å²	52	56.2 Å²	56.2	36%	0.364	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-72.3	126.9	171.2	-177.6	0	0	0	0	110	T145 G295	S54-T145 PolarHBondContact OG-OG1 2.93Å; S54-G295 CarbonylContact C-O 3.5Å; S54-G295 VanDerWaalsContact CA-O 3.29Å; S54-G295 WeakPolarHBondContact CA-O 3.37Å; S54-G295 PolarHBondContact OG-O 2.83Å
55	T	94.3	Very high	95.1	Very high	52 Å²	52	54 Å²	54	32%	0.319	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	175	179.1	-166.2	0	0	0	0	111.2	M57 Y60 R294 G295	T55-M57 HydrophobicContact CG2-CE 3.68Å; T55-M57 HydrophobicContact CG2-SD 4.3Å; T55-M57 PolarHBondContact O-N 3.04Å; T55-Y60 HydrophobicContact CG2-CE2 4.07Å; T55-R294 WeakPolarHBondContact O-CA 3.15Å; T55-G295 PolarHBondContact N-O 3.23Å; T55-G295 PolarHBondContact O-N 2.53Å; T55-G295 VanDerWaalsContact O-N 3.1Å
56	D	95	Very high	95.4	Very high	44 Å²	44	52.2 Å²	52.2	24%	0.235	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	114.3	172.3	-176.9	9.2	0	0	0	110	T58	D56-T58 VanDerWaalsContact C-N 3.34Å; D56-T58 WeakPolarHBondContact OD1-CB 3.3Å; D56-T58 VanDerWaalsContact OD1-CG2 3.26Å; D56-T58 WeakPolarHBondContact OD1-CG2 3.39Å; D56-T58 PolarHBondContact OD1-N 2.96Å; D56-T58 PolarHBondContact OD1-OG1 3.06Å; D56-T58 PolarHBondContact OD2-OG1 3.43Å; D56-T58 VanDerWaalsContact OD2-OG1 3.07Å
57	M	96.3	Very high	95.7	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-86.1	-8.2	-173.5	-69.8	-65.4	170	0	0	113	T55 K59 Y60 W138 I142 V293 G295 L313	T55-M57 HydrophobicContact CG2-CE 3.68Å; T55-M57 HydrophobicContact CG2-SD 4.3Å; T55-M57 PolarHBondContact O-N 3.04Å; M57-K59 PolarHBondContact O-N 2.82Å; M57-Y60 PolarHBondContact O-N 3.24Å; M57-Y60 HydrophobicContact SD-CD2 4.05Å; M57-Y60 HydrophobicContact SD-CE2 4.48Å; M57-W138 PolarHBondContact O-NE1 3.31Å; M57-I142 HydrophobicContact CB-CD1 4.37Å; M57-I142 HydrophobicContact CE-CG2 4.38Å; M57-I142 HydrophobicContact CG-CD1 4.15Å; M57-I142 HydrophobicContact CG-CG2 4.04Å; M57-I142 HydrophobicContact SD-CD1 3.77Å; M57-I142 HydrophobicContact SD-CG1 4.34Å; M57-I142 HydrophobicContact SD-CG2 4.35Å; M57-V293 HydrophobicContact CB-CG1 4.29Å; M57-V293 WeakPolarHBondContact CB-O 2.99Å; M57-V293 PolarHBondContact N-O 2.91Å; M57-G295 WeakPolarHBondContact CE-O 3.44Å; M57-L313 HydrophobicContact SD-CD2 4.3Å
58	T	94.4	Very high	95.7	Very high	15 Å²	15	53.5 Å²	53.5	9%	0.092	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-62.9	-28.2	175.9	63.2	0	0	0	0	112.2	D56 Y60 L61 F107 I291 V293	D56-T58 VanDerWaalsContact C-N 3.34Å; D56-T58 WeakPolarHBondContact OD1-CB 3.3Å; D56-T58 VanDerWaalsContact OD1-CG2 3.26Å; D56-T58 WeakPolarHBondContact OD1-CG2 3.39Å; D56-T58 PolarHBondContact OD1-N 2.96Å; D56-T58 PolarHBondContact OD1-OG1 3.06Å; D56-T58 PolarHBondContact OD2-OG1 3.43Å; D56-T58 VanDerWaalsContact OD2-OG1 3.07Å; T58-Y60 PolarHBondContact O-N 2.67Å; T58-L61 WeakPolarHBondContact O-CG 3.12Å; T58-L61 PolarHBondContact O-N 3.41Å; T58-F107 HydrophobicContact CG2-CD1 4.2Å; T58-I291 WeakPolarHBondContact CG2-O 3.47Å; T58-V293 HydrophobicContact CG2-CB 4.42Å
59	K	92.3	Very high	95.7	Very high	125 Å²	125	59.1 Å²	59.1	54%	0.543	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-66.5	-17.8	179.1	-60.8	179.3	-177.8	179.1	0	114.5	M57	M57-K59 PolarHBondContact O-N 2.82Å
60	Y	94.5	Very high	95.7	Very high	63 Å²	63	60 Å²	60	25%	0.247	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-118.2	2.4	-172.9	-48.6	-69.6	0	0	0	113.2	T55 M57 T58 Y308 L313	T55-Y60 HydrophobicContact CG2-CE2 4.07Å; M57-Y60 PolarHBondContact O-N 3.24Å; M57-Y60 HydrophobicContact SD-CD2 4.05Å; M57-Y60 HydrophobicContact SD-CE2 4.48Å; T58-Y60 PolarHBondContact O-N 2.67Å; Y60-Y308 HydrophobicContact CD1-CD1 4.29Å; Y60-Y308 AromaticContact CD1-CD2 3.6Å; Y60-Y308 HydrophobicContact CD1-CD2 3.6Å; Y60-Y308 AromaticContact CD1-CE2 3.99Å; Y60-Y308 HydrophobicContact CD1-CE2 3.99Å; Y60-Y308 AromaticContact CD1-CG 3.76Å; Y60-Y308 HydrophobicContact CD1-CG 3.76Å; Y60-Y308 HydrophobicContact CE1-CD2 4.35Å; Y60-Y308 HydrophobicContact CE1-CG 4.08Å; Y60-Y308 HydrophobicContact CG-CD2 4.39Å; Y60-L313 HydrophobicContact CD1-CD1 4.44Å; Y60-L313 HydrophobicContact CD2-CD2 4.22Å; Y60-L313 HydrophobicContact CG-CD2 4.31Å
61	L	94.2	Very high	95.8	Very high	24 Å²	24	61.6 Å²	61.6	13%	0.126	32%	0.319	C	S	.	.			trans	-84.7	157.7	-178.9	71	80.9	0	0	0	111.9	T58 V63 F107 L136 S137 W138	T58-L61 WeakPolarHBondContact O-CG 3.12Å; T58-L61 PolarHBondContact O-N 3.41Å; L61-V63 HydrophobicContact CD1-CB 4Å; L61-F107 HydrophobicContact CD1-CD2 4.3Å; L61-F107 HydrophobicContact CD1-CE1 4.13Å; L61-F107 HydrophobicContact CD1-CE2 3.88Å; L61-F107 HydrophobicContact CD1-CZ 3.8Å; L61-F107 HydrophobicContact CD2-CD1 3.95Å; L61-F107 HydrophobicContact CD2-CE1 3.64Å; L61-F107 HydrophobicContact CD2-CZ 4.13Å; L61-F107 HydrophobicContact CG-CE1 4.46Å; L61-L136 HydrophobicContact CD1-CD2 4.26Å; L61-L136 HydrophobicContact CD2-CB 4.28Å; L61-L136 HydrophobicContact CD2-CD1 4.49Å; L61-L136 HydrophobicContact CD2-CD2 4.23Å; L61-S137 CarbonylContact C-O 3.49Å; L61-S137 WeakPolarHBondContact CA-O 3.49Å; L61-W138 HydrophobicContact CB-CD2 4.41Å; L61-W138 HydrophobicContact CB-CG 4.49Å; L61-W138 HydrophobicContact CB-CZ2 4.26Å; L61-W138 HydrophobicContact CD2-CZ2 4.08Å
62	K	95.6	Very high	95.9	Very high	101 Å²	101	60.7 Å²	60.7	44%	0.439	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121	164.4	-64.2	178.4	-178.4	176.4	0	107.3	S137 S311	K62-S137 PolarHBondContact N-O 3.47Å; K62-S137 PolarHBondContact O-N 3.43Å; K62-S311 PolarHBondContact NZ-OG 3.48Å
63	V	97.4	Very high	95.9	Very high	42 Å²	42	60.4 Å²	60.4	26%	0.255	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	140.7	177.2	64.3	0	0	0	0	110	L61 P103 M106 F107 I134 T135 L136	L61-V63 HydrophobicContact CD1-CB 4Å; V63-P103 HydrophobicContact CG1-CB 4.24Å; V63-M106 HydrophobicContact CG2-CE 3.99Å; V63-F107 HydrophobicContact CB-CE2 3.81Å; V63-F107 HydrophobicContact CB-CZ 4.19Å; V63-F107 HydrophobicContact CG1-CE2 4.08Å; V63-F107 HydrophobicContact CG2-CE2 4.03Å; V63-F107 HydrophobicContact CG2-CZ 4.15Å; V63-I134 HydrophobicContact CG2-CG2 4.01Å; V63-T135 CarbonylContact C-O 3.48Å; V63-T135 WeakPolarHBondContact CA-O 3.24Å; V63-L136 HydrophobicContact CG2-CD2 4.19Å
64	K	98.1	Very high	96.1	Very high	139 Å²	139	59.3 Å²	59.3	60%	0.604	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	128.7	170.7	-180	-175.3	176.4	-171.6	0	109.5	T135	K64-T135 PolarHBondContact N-O 2.86Å; K64-T135 PolarHBondContact O-N 2.94Å
65	L	98.5	Very high	96.2	Very high	17 Å²	17	61.4 Å²	61.4	9%	0.089	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	146.4	172.9	-60.1	177	0	0	0	110.6	I70 T71 P103 W118 N133 I134	L65-I70 HydrophobicContact CB-CG2 4.1Å; L65-I70 HydrophobicContact CD1-CG2 4.09Å; L65-T71 WeakPolarHBondContact CD1-OG1 3.06Å; L65-P103 HydrophobicContact CD1-CB 4.1Å; L65-P103 HydrophobicContact CD1-CG 4.24Å; L65-P103 HydrophobicContact CG-CB 4.5Å; L65-W118 HydrophobicContact CD1-CZ2 4.31Å; L65-W118 HydrophobicContact CD2-CZ2 4.27Å; L65-N133 CarbonylContact C-O 2.93Å; L65-N133 WeakPolarHBondContact CA-O 3.35Å; L65-I134 HydrophobicContact CD2-CB 4.29Å; L65-I134 HydrophobicContact CD2-CG1 3.79Å; L65-I134 HydrophobicContact CD2-CG2 4.13Å
66	D	98	Very high	96.3	Very high	77 Å²	77	61.9 Å²	61.9	41%	0.412	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	118	172.8	171.3	69.6	0	0	0	109.2	N133	D66-N133 HydrophobicContact CB-CB 3.98Å; D66-N133 PolarHBondContact N-O 2.65Å; D66-N133 PolarHBondContact O-N 3.34Å; D66-N133 PolarHBondContact OD2-ND2 3.31Å
67	P	97.9	Very high	96.3	Very high	47 Å²	47	60.5 Å²	60.5	31%	0.305	32%	0.322	S	S	.	.	S	Bend	cis	-69.3	155.6	-0.2	30.9	-32.4	0	0	0	112.4	D69 I70	P67-D69 WeakPolarHBondContact CB-OD1 3.38Å; P67-D69 PolarHBondContact O-N 2.86Å; P67-I70 HydrophobicContact CG-CB 4.07Å; P67-I70 HydrophobicContact CG-CD1 4.29Å; P67-I70 HydrophobicContact CG-CG1 4.39Å; P67-I70 VanDerWaalsContact O-CB 3.29Å; P67-I70 WeakPolarHBondContact O-CB 3.38Å; P67-I70 WeakPolarHBondContact O-CG2 3.13Å; P67-I70 PolarHBondContact O-N 3.26Å
68	P	96.5	Very high	96.2	Very high	104 Å²	104	64 Å²	64	68%	0.675	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-26.2	-172.4	28.4	-34.9	0	0	0	114	I70	P68-I70 PolarHBondContact O-N 3.35Å
69	D	95.1	Very high	96.1	Very high	131 Å²	131	63.9 Å²	63.9	70%	0.701	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	8	178.7	56.7	-46.8	0	0	0	113.3	P67 T71	P67-D69 WeakPolarHBondContact CB-OD1 3.38Å; P67-D69 PolarHBondContact O-N 2.86Å; D69-T71 VanDerWaalsContact C-N 3.27Å; D69-T71 PolarHBondContact O-N 3.25Å
70	I	97.9	Very high	95.9	Very high	17 Å²	17	58.3 Å²	58.3	9%	0.087	32%	0.319	C	S	.	.			trans	-74.7	-12.2	-175	-159.8	51.8	0	0	0	114.5	L65 P67 P68 W118 S120 A121 L130 V132	L65-I70 HydrophobicContact CB-CG2 4.1Å; L65-I70 HydrophobicContact CD1-CG2 4.09Å; P67-I70 HydrophobicContact CG-CB 4.07Å; P67-I70 HydrophobicContact CG-CD1 4.29Å; P67-I70 HydrophobicContact CG-CG1 4.39Å; P67-I70 VanDerWaalsContact O-CB 3.29Å; P67-I70 WeakPolarHBondContact O-CB 3.38Å; P67-I70 WeakPolarHBondContact O-CG2 3.13Å; P67-I70 PolarHBondContact O-N 3.26Å; P68-I70 PolarHBondContact O-N 3.35Å; I70-W118 HydrophobicContact CG2-CZ2 4.27Å; I70-S120 CarbonylContact O-C 3.58Å; I70-S120 WeakPolarHBondContact O-CA 3.14Å; I70-A121 PolarHBondContact O-N 2.78Å; I70-L130 HydrophobicContact CD1-CD1 3.95Å; I70-V132 HydrophobicContact CD1-CG2 4.02Å; I70-V132 HydrophobicContact CG1-CB 4.3Å; I70-V132 HydrophobicContact CG1-CG1 3.93Å; I70-V132 HydrophobicContact CG1-CG2 3.5Å; I70-V132 HydrophobicContact CG2-CG1 3.89Å
71	T	98.2	Very high	95.1	Very high	35 Å²	35	56.9 Å²	56.9	22%	0.215	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-77.2	134.1	179.5	-58	0	0	0	0	109.1	L65 D69 H101 W118	L65-T71 WeakPolarHBondContact CD1-OG1 3.06Å; D69-T71 VanDerWaalsContact C-N 3.27Å; D69-T71 PolarHBondContact O-N 3.25Å; T71-H101 WeakPolarHBondContact CG2-O 3.3Å; T71-W118 PolarHBondContact OG1-NE1 3.42Å; T71-W118 VanDerWaalsContact OG1-NE1 3.11Å
72	C	97.4	Very high	94	Very high	5 Å²	5	60.6 Å²	60.6	3%	0.034	34%	0.338	C	S	.	.	S	Bend	trans	-65.9	159.4	-178.5	67.4	0	0	0	0	112.4	E77 C92 Q119	C72-E77 HydrophobicContact CB-CG 4.13Å; C72-E77 VanDerWaalsContact CB-OE1 3.32Å; C72-E77 WeakPolarHBondContact CB-OE1 3.02Å; C72-C92 HydrophobicContact CB-CB 3.79Å; C72-C92 WeakPolarHBondContact CB-SG 3.4Å; C72-C92 PolarHBondContact O-SG 2.81Å; C72-C92 VanDerWaalsContact O-SG 3.36Å; C72-C92 WeakPolarHBondContact SG-CB 3.43Å; C72-C92 CovalentContact SG-SG 2.04Å; C72-C92 PolarHBondContact SG-SG 3.01Å; C72-Q119 PolarHBondContact N-O 3.35Å; C72-Q119 VanDerWaalsContact N-O 3.11Å
73	G	96.5	Very high	92.6	Very high	4 Å²	4	59.7 Å²	59.7	4%	0.041	36%	0.358	C	S	.	.			trans	110.8	-1.4	168.9	0	0	0	0	0	116.1	P75 C92 A94	G73-P75 VanDerWaalsContact C-C 3.44Å; G73-P75 CarbonylContact C-O 3.49Å; G73-P75 CarbonylContact O-C 3.57Å; G73-C92 WeakPolarHBondContact CA-O 3.48Å; G73-A94 WeakPolarHBondContact O-CB 3.3Å; G73-A94 PolarHBondContact O-N 3.32Å
74	D	95.6	Very high	91.2	Very high	150 Å²	150	61 Å²	61	80%	0.802	36%	0.363	S	S	*	.	S	Bend	trans	-135.4	94.5	171.3	-171.1	11.5	0	0	0	111.5
75	P	96.3	Very high	89.7	Confident	96 Å²	96	57.4 Å²	57.4	62%	0.623	35%	0.354	S	S	*	.	S	Bend	cis	-72.9	165.9	-2.2	32.5	-36.3	0	0	0	112.6	G73	G73-P75 VanDerWaalsContact C-C 3.44Å; G73-P75 CarbonylContact C-O 3.49Å; G73-P75 CarbonylContact O-C 3.57Å
76	P	96.4	Very high	88.3	Confident	62 Å²	62	65.9 Å²	65.9	40%	0.403	39%	0.386	S	S	.	.			trans	-53.7	142.9	173.8	-27.5	35.7	0	0	0	113	E91 C92 D93	P76-E91 HydrophobicContact CB-CG 4.48Å; P76-E91 WeakPolarHBondContact CB-OE1 3.38Å; P76-C92 CarbonylContact C-O 3.52Å; P76-C92 VanDerWaalsContact CA-O 3.24Å; P76-C92 WeakPolarHBondContact CA-O 3.28Å; P76-D93 HydrophobicContact CB-CB 4.09Å; P76-D93 HydrophobicContact CG-CB 4.12Å
77	E	94.9	Very high	87.3	Confident	14 Å²	14	66.9 Å²	66.9	7%	0.065	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146.8	-178.4	60.7	167.5	-154.9	0	0	114.6	C72 E91 C92 A121 T122 K124	C72-E77 HydrophobicContact CB-CG 4.13Å; C72-E77 VanDerWaalsContact CB-OE1 3.32Å; C72-E77 WeakPolarHBondContact CB-OE1 3.02Å; E77-E91 CarbonylContact O-C 3.53Å; E77-E91 WeakPolarHBondContact O-CA 3.39Å; E77-C92 HydrophobicContact CG-CB 4.5Å; E77-C92 PolarHBondContact N-O 2.79Å; E77-C92 PolarHBondContact O-N 3.46Å; E77-A121 WeakPolarHBondContact OE1-CA 3.37Å; E77-T122 PolarHBondContact OE1-N 2.05Å; E77-T122 PolarHBondContact OE2-OG1 2.64Å; E77-K124 WeakPolarHBondContact OE2-CE 3.48Å; E77-K124 IonicContact OE2-NZ 3.67Å; E77-K124 PolarHBondContact OE2-NZ 3.37Å
78	T	93.9	Very high	86.5	Confident	76 Å²	76	66.3 Å²	66.3	47%	0.466	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.6	176.1	56.5	0	0	0	0	111.7	N90	T78-N90 CarbonylContact C-O 3.18Å; T78-N90 VanDerWaalsContact CA-O 3.23Å; T78-N90 WeakPolarHBondContact CA-O 3.46Å
79	F	92.6	Very high	86	Confident	12 Å²	12	68 Å²	68	5%	0.053	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	161.3	175.3	68.5	-86.7	0	0	0	111.7	C88 N90 C92 T122 F285	F79-C88 WeakPolarHBondContact O-CA 3.38Å; F79-N90 HydrophobicContact CD1-CB 4Å; F79-N90 HydrophobicContact CD2-CB 4.13Å; F79-N90 HydrophobicContact CE1-CB 3.55Å; F79-N90 HydrophobicContact CE2-CB 3.68Å; F79-N90 HydrophobicContact CG-CB 4.29Å; F79-N90 HydrophobicContact CZ-CB 3.38Å; F79-N90 PolarHBondContact N-O 2.75Å; F79-C92 HydrophobicContact CD1-CB 4.35Å; F79-C92 HydrophobicContact CE1-CB 4.35Å; F79-T122 HydrophobicContact CB-CG2 4.13Å; F79-F285 HydrophobicContact CB-CD1 4.3Å; F79-F285 HydrophobicContact CB-CE1 3.98Å; F79-F285 HydrophobicContact CB-CZ 4.44Å; F79-F285 HydrophobicContact CD2-CE1 4.07Å; F79-F285 HydrophobicContact CD2-CE2 4.45Å; F79-F285 AromaticContact CD2-CZ 3.75Å; F79-F285 HydrophobicContact CD2-CZ 3.75Å; F79-F285 HydrophobicContact CE2-CZ 4.47Å; F79-F285 HydrophobicContact CG-CE1 4.47Å; F79-F285 HydrophobicContact CG-CZ 4.46Å
80	C	88.6	Confident	85.7	Confident	8 Å²	8	65 Å²	65	5%	0.054	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-101.3	127.5	179.2	-46.9	0	0	0	0	111.2	M87 C88 A282 R283 F285	C80-M87 WeakPolarHBondContact CA-O 3.35Å; C80-C88 HydrophobicContact CB-CB 4.03Å; C80-C88 WeakPolarHBondContact CB-SG 3.22Å; C80-C88 WeakPolarHBondContact SG-CB 3.44Å; C80-C88 CovalentContact SG-SG 2.04Å; C80-C88 PolarHBondContact SG-SG 2.04Å; C80-A282 PolarHBondContact N-O 2.85Å; C80-A282 VanDerWaalsContact N-O 3.13Å; C80-R283 HydrophobicContact CB-CB 4.47Å; C80-R283 HydrophobicContact CB-CG 3.81Å; C80-R283 VanDerWaalsContact SG-CG 3.51Å; C80-F285 WeakPolarHBondContact O-CE1 3.34Å
81	A	78	Confident	85.5	Confident	34 Å²	34	68.5 Å²	68.5	28%	0.281	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-73	150.2	179.5	0	0	0	0	0	112.1	G83 M87	A81-G83 PolarHBondContact O-N 2.76Å; A81-M87 PolarHBondContact N-O 3.49Å
82	M	70.1	Confident	85.5	Confident	101 Å²	101	66.8 Å²	66.8	50%	0.498	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	128.7	177.1	-164.5	176.5	-174.7	0	0	110.5
83	G	67.1	Low	85.5	Confident	82 Å²	82	67.5 Å²	67.5	85%	0.845	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	118	-24.2	175.3	0	0	0	0	0	115.3	A81	A81-G83 PolarHBondContact O-N 2.76Å
84	N	68	Low	85.5	Confident	70 Å²	70	70.1 Å²	70.1	37%	0.374	40%	0.404	S	S	.	.			trans	-142.9	110	171.5	-171.8	-15	0	0	0	111.6	Y86 M87	N84-Y86 PolarHBondContact O-N 3.45Å; N84-Y86 WeakPolarHBondContact OD1-CB 3.23Å; N84-Y86 WeakPolarHBondContact OD1-CD2 3.48Å; N84-Y86 PolarHBondContact OD1-N 3.39Å; N84-M87 HydrophobicContact CB-CB 4.05Å; N84-M87 PolarHBondContact O-N 3.06Å
85	P	65.9	Low	85.6	Confident	64 Å²	64	67.6 Å²	67.6	42%	0.416	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.2	-177.4	26.5	-33.9	0	0	0	114.4	R283	P85-R283 PolarHBondContact O-NE 3.4Å; P85-R283 PolarHBondContact O-NH2 3.39Å
86	Y	68.9	Low	85.6	Confident	194 Å²	194	65.3 Å²	65.3	76%	0.761	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-5.3	176.2	-54.5	-74	0	0	0	113.4	N84 C88	N84-Y86 PolarHBondContact O-N 3.45Å; N84-Y86 WeakPolarHBondContact OD1-CB 3.23Å; N84-Y86 WeakPolarHBondContact OD1-CD2 3.48Å; N84-Y86 PolarHBondContact OD1-N 3.39Å; Y86-C88 PolarHBondContact O-N 3.23Å
87	M	76.7	Confident	85.4	Confident	98 Å²	98	68 Å²	68	48%	0.483	40%	0.4	S	S	.	.			trans	-98.5	82.8	-178.4	-169.4	178.5	-94.2	0	0	110.4	C80 A81 N84	C80-M87 WeakPolarHBondContact CA-O 3.35Å; A81-M87 PolarHBondContact N-O 3.49Å; N84-M87 HydrophobicContact CB-CB 4.05Å; N84-M87 PolarHBondContact O-N 3.06Å
88	C	83.1	Confident	85.2	Confident	35 Å²	35	75.9 Å²	75.9	24%	0.236	44%	0.437	C	S	.	.			trans	-114.7	45.2	-179.4	-51	0	0	0	0	111.5	F79 C80 Y86	F79-C88 WeakPolarHBondContact O-CA 3.38Å; C80-C88 HydrophobicContact CB-CB 4.03Å; C80-C88 WeakPolarHBondContact CB-SG 3.22Å; C80-C88 WeakPolarHBondContact SG-CB 3.44Å; C80-C88 CovalentContact SG-SG 2.04Å; C80-C88 PolarHBondContact SG-SG 2.04Å; Y86-C88 PolarHBondContact O-N 3.23Å
89	N	85.3	Confident	85.3	Confident	141 Å²	141	75.2 Å²	75.2	75%	0.754	43%	0.43	S	S	*	.			trans	-99.9	-3.8	-176.4	-62.2	-11.2	0	0	0	112.5
90	N	89.1	Confident	85.5	Confident	67 Å²	67	75.6 Å²	75.6	36%	0.358	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	141.6	-178.7	-62.2	45.1	0	0	0	108.8	T78 F79	T78-N90 CarbonylContact C-O 3.18Å; T78-N90 VanDerWaalsContact CA-O 3.23Å; T78-N90 WeakPolarHBondContact CA-O 3.46Å; F79-N90 HydrophobicContact CD1-CB 4Å; F79-N90 HydrophobicContact CD2-CB 4.13Å; F79-N90 HydrophobicContact CE1-CB 3.55Å; F79-N90 HydrophobicContact CE2-CB 3.68Å; F79-N90 HydrophobicContact CG-CB 4.29Å; F79-N90 HydrophobicContact CZ-CB 3.38Å; F79-N90 PolarHBondContact N-O 2.75Å
91	E	93.9	Very high	85.9	Confident	90 Å²	90	76.4 Å²	76.4	42%	0.421	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.1	-178.7	-176.6	171.9	-166.9	0	0	109.4	P76 E77	P76-E91 HydrophobicContact CB-CG 4.48Å; P76-E91 WeakPolarHBondContact CB-OE1 3.38Å; E77-E91 CarbonylContact O-C 3.53Å; E77-E91 WeakPolarHBondContact O-CA 3.39Å
92	C	96.5	Very high	86.8	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.5	167.6	177.6	0	0	0	0	108.2	C72 G73 P76 E77 F79 L99	C72-C92 HydrophobicContact CB-CB 3.79Å; C72-C92 WeakPolarHBondContact CB-SG 3.4Å; C72-C92 PolarHBondContact O-SG 2.81Å; C72-C92 VanDerWaalsContact O-SG 3.36Å; C72-C92 WeakPolarHBondContact SG-CB 3.43Å; C72-C92 CovalentContact SG-SG 2.04Å; C72-C92 PolarHBondContact SG-SG 3.01Å; G73-C92 WeakPolarHBondContact CA-O 3.48Å; P76-C92 CarbonylContact C-O 3.52Å; P76-C92 VanDerWaalsContact CA-O 3.24Å; P76-C92 WeakPolarHBondContact CA-O 3.28Å; E77-C92 HydrophobicContact CG-CB 4.5Å; E77-C92 PolarHBondContact N-O 2.79Å; E77-C92 PolarHBondContact O-N 3.46Å; F79-C92 HydrophobicContact CD1-CB 4.35Å; F79-C92 HydrophobicContact CE1-CB 4.35Å; C92-L99 WeakPolarHBondContact CA-O 3.48Å
93	D	97.5	Very high	88.1	Confident	19 Å²	19	73.1 Å²	73.1	10%	0.102	42%	0.422	C	S	.	.			trans	-137.4	116	-180	171.4	14.3	0	0	0	109	P76 S95 T96 L99 A100	P76-D93 HydrophobicContact CB-CB 4.09Å; P76-D93 HydrophobicContact CG-CB 4.12Å; D93-S95 VanDerWaalsContact CG-OG 3.23Å; D93-S95 PolarHBondContact O-N 2.77Å; D93-S95 WeakPolarHBondContact OD1-CB 3.33Å; D93-S95 PolarHBondContact OD1-N 3.49Å; D93-S95 PolarHBondContact OD1-OG 2.92Å; D93-S95 PolarHBondContact OD2-OG 3.47Å; D93-T96 PolarHBondContact O-N 3.35Å; D93-T96 VanDerWaalsContact O-O 3.13Å; D93-T96 WeakPolarHBondContact OD2-CB 3.47Å; D93-T96 PolarHBondContact OD2-OG1 2.91Å; D93-L99 HydrophobicContact CB-CB 4.14Å; D93-L99 HydrophobicContact CB-CD1 4.24Å; D93-L99 PolarHBondContact N-O 3.21Å; D93-L99 CarbonylContact O-C 3.21Å; D93-A100 WeakPolarHBondContact O-CA 3.28Å; D93-A100 PolarHBondContact O-N 2.91Å
94	A	97.1	Very high	89.4	Confident	59 Å²	59	74.9 Å²	74.9	49%	0.488	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.3	-177.1	0	0	0	0	0	112.7	G73	G73-A94 WeakPolarHBondContact O-CB 3.3Å; G73-A94 PolarHBondContact O-N 3.32Å
95	S	96.9	Very high	90.7	Very high	97 Å²	97	73 Å²	73	68%	0.678	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-22.5	178.9	75.8	0	0	0	0	113.1	D93	D93-S95 VanDerWaalsContact CG-OG 3.23Å; D93-S95 PolarHBondContact O-N 2.77Å; D93-S95 WeakPolarHBondContact OD1-CB 3.33Å; D93-S95 PolarHBondContact OD1-N 3.49Å; D93-S95 PolarHBondContact OD1-OG 2.92Å; D93-S95 PolarHBondContact OD2-OG 3.47Å
96	T	96.4	Very high	92.2	Very high	49 Å²	49	70 Å²	70	30%	0.301	38%	0.378	S	S	.	.	S	Bend	trans	-104.7	108.9	-179.4	-60.3	0	0	0	0	109.8	D93 E98 L99 A100	D93-T96 PolarHBondContact O-N 3.35Å; D93-T96 VanDerWaalsContact O-O 3.13Å; D93-T96 WeakPolarHBondContact OD2-CB 3.47Å; D93-T96 PolarHBondContact OD2-OG1 2.91Å; T96-E98 HydrophobicContact CG2-CB 4.44Å; T96-E98 PolarHBondContact O-N 2.97Å; T96-L99 HydrophobicContact CG2-CB 4.38Å; T96-L99 HydrophobicContact CG2-CD1 4.1Å; T96-L99 HydrophobicContact CG2-CG 4.02Å; T96-L99 CarbonylContact O-C 3.59Å; T96-L99 PolarHBondContact O-N 3.32Å; T96-A100 PolarHBondContact O-N 3.02Å
97	P	93.2	Very high	93.4	Very high	118 Å²	118	62.6 Å²	62.6	77%	0.766	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.9	-173.4	-27.9	35.3	0	0	0	115.6	L99	P97-L99 VanDerWaalsContact C-N 3.33Å
98	E	91.5	Very high	94.1	Very high	180 Å²	180	59.4 Å²	59.4	84%	0.841	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.2	178.6	-63.3	173	-172	0	0	113.2	T96	T96-E98 HydrophobicContact CG2-CB 4.44Å; T96-E98 PolarHBondContact O-N 2.97Å
99	L	94.6	Very high	93.9	Very high	61 Å²	61	65.4 Å²	65.4	32%	0.319	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-4.2	180	-57.3	178.4	0	0	0	112.4	C92 D93 T96 P97 H101	C92-L99 WeakPolarHBondContact CA-O 3.48Å; D93-L99 HydrophobicContact CB-CB 4.14Å; D93-L99 HydrophobicContact CB-CD1 4.24Å; D93-L99 PolarHBondContact N-O 3.21Å; D93-L99 CarbonylContact O-C 3.21Å; T96-L99 HydrophobicContact CG2-CB 4.38Å; T96-L99 HydrophobicContact CG2-CD1 4.1Å; T96-L99 HydrophobicContact CG2-CG 4.02Å; T96-L99 CarbonylContact O-C 3.59Å; T96-L99 PolarHBondContact O-N 3.32Å; P97-L99 VanDerWaalsContact C-N 3.33Å; L99-H101 PolarHBondContact O-CD2 3.32Å; L99-H101 VanDerWaalsContact O-CD2 3.29Å
100	A	96.6	Very high	93	Very high	21 Å²	21	64.1 Å²	64.1	17%	0.174	35%	0.347	C	S	.	.			trans	-82.2	136.1	-179	0	0	0	0	0	110.9	D93 T96 P102	D93-A100 WeakPolarHBondContact O-CA 3.28Å; D93-A100 PolarHBondContact O-N 2.91Å; T96-A100 PolarHBondContact O-N 3.02Å; A100-P102 VanDerWaalsContact O-CD 3.27Å; A100-P102 WeakPolarHBondContact O-CD 3.06Å
101	H	96.8	Very high	91.7	Very high	24 Å²	24	64 Å²	64	11%	0.111	36%	0.361	C	S	.	.			trans	-121.1	61.4	-178.5	-68.1	-69.1	0	0	0	112.8	T71 L99 F117 W118 Q119	T71-H101 WeakPolarHBondContact CG2-O 3.3Å; L99-H101 PolarHBondContact O-CD2 3.32Å; L99-H101 VanDerWaalsContact O-CD2 3.29Å; H101-F117 WeakPolarHBondContact CB-O 3.37Å; H101-F117 AromaticContact CE1-CD2 3.86Å; H101-F117 AromaticContact CE1-CE1 3.95Å; H101-F117 AromaticContact CE1-CE2 3.19Å; H101-F117 WeakPolarHBondContact CE1-CE2 2.97Å; H101-F117 AromaticContact CE1-CZ 3.24Å; H101-F117 WeakPolarHBondContact CE1-CZ 3.09Å; H101-F117 AromaticContact CG-CE2 3.95Å; H101-F117 AromaticContact ND1-CD2 3.52Å; H101-F117 AromaticContact ND1-CE2 3.3Å; H101-F117 VanDerWaalsContact ND1-CE2 3.3Å; H101-F117 WeakPolarHBondContact ND1-CE2 3.36Å; H101-F117 AromaticContact ND1-CZ 3.79Å; H101-F117 PolarHBondContact ND1-O 3.36Å; H101-F117 AromaticContact NE2-CE2 3.74Å; H101-F117 AromaticContact NE2-CZ 3.89Å; H101-W118 WeakPolarHBondContact O-CA 3.46Å; H101-W118 VanDerWaalsContact O-CD1 3.28Å; H101-Q119 HydrophobicContact CB-CB 3.68Å; H101-Q119 PolarHBondContact O-N 3.48Å
102	P	97.3	Very high	90.3	Very high	45 Å²	45	66.1 Å²	66.1	29%	0.292	37%	0.365	S	S	.	.			trans	-76.4	159.9	-172.9	38.3	-42	0	0	0	112.3	A100 E104 L105	A100-P102 VanDerWaalsContact O-CD 3.27Å; A100-P102 WeakPolarHBondContact O-CD 3.06Å; P102-E104 VanDerWaalsContact CB-OE2 3.29Å; P102-E104 WeakPolarHBondContact CB-OE2 3.34Å; P102-E104 PolarHBondContact O-N 2.86Å; P102-E104 VanDerWaalsContact O-N 3.15Å; P102-L105 HydrophobicContact CG-CD1 4.41Å; P102-L105 HydrophobicContact CG-CG 4.13Å; P102-L105 WeakPolarHBondContact O-CB 3.32Å; P102-L105 PolarHBondContact O-N 2.71Å; P102-L105 VanDerWaalsContact O-N 3.15Å
103	P	97.4	Very high	88.9	Confident	22 Å²	22	74.8 Å²	74.8	14%	0.143	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-64.1	-20.5	-172.1	24.2	-34.3	0	0	0	114.9	V63 L65 L105 M106	V63-P103 HydrophobicContact CG1-CB 4.24Å; L65-P103 HydrophobicContact CD1-CB 4.1Å; L65-P103 HydrophobicContact CD1-CG 4.24Å; L65-P103 HydrophobicContact CG-CB 4.5Å; P103-L105 PolarHBondContact O-N 3.21Å; P103-M106 HydrophobicContact CB-CE 3.71Å; P103-M106 WeakPolarHBondContact O-CB 3.48Å; P103-M106 WeakPolarHBondContact O-CE 3.26Å; P103-M106 PolarHBondContact O-N 3.5Å; P103-M106 VanDerWaalsContact O-N 3.16Å
104	E	95.3	Very high	87.8	Confident	118 Å²	118	79.4 Å²	79.4	55%	0.551	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-62.1	-25.1	176.5	-63.8	72.2	-156.9	0	0	112.1	P102 M106 F107	P102-E104 VanDerWaalsContact CB-OE2 3.29Å; P102-E104 WeakPolarHBondContact CB-OE2 3.34Å; P102-E104 PolarHBondContact O-N 2.86Å; P102-E104 VanDerWaalsContact O-N 3.15Å; E104-M106 PolarHBondContact O-N 3.13Å; E104-F107 PolarHBondContact O-N 2.94Å
105	L	95.6	Very high	87.1	Confident	31 Å²	31	79.3 Å²	79.3	16%	0.162	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-68	-14.4	177.6	-61.1	-172.8	0	0	0	113.3	P102 P103 F107 T116 F117	P102-L105 HydrophobicContact CG-CD1 4.41Å; P102-L105 HydrophobicContact CG-CG 4.13Å; P102-L105 WeakPolarHBondContact O-CB 3.32Å; P102-L105 PolarHBondContact O-N 2.71Å; P102-L105 VanDerWaalsContact O-N 3.15Å; P103-L105 PolarHBondContact O-N 3.21Å; L105-F107 PolarHBondContact O-N 2.81Å; L105-T116 HydrophobicContact CD1-CG2 4.48Å; L105-T116 HydrophobicContact CD2-CG2 4.19Å; L105-F117 WeakPolarHBondContact CD1-O 3.47Å
106	M	96.3	Very high	86.9	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-72.2	-9.4	173.2	-65.6	-174.2	-78.7	0	0	113.7	V63 P103 E104 W118 I134 I288 D290 I291	V63-M106 HydrophobicContact CG2-CE 3.99Å; P103-M106 HydrophobicContact CB-CE 3.71Å; P103-M106 WeakPolarHBondContact O-CB 3.48Å; P103-M106 WeakPolarHBondContact O-CE 3.26Å; P103-M106 PolarHBondContact O-N 3.5Å; P103-M106 VanDerWaalsContact O-N 3.16Å; E104-M106 PolarHBondContact O-N 3.13Å; M106-W118 HydrophobicContact CE-CB 4.32Å; M106-W118 HydrophobicContact CE-CD2 4.35Å; M106-W118 HydrophobicContact CE-CG 4.16Å; M106-W118 HydrophobicContact CG-CB 3.51Å; M106-W118 HydrophobicContact CG-CG 4.27Å; M106-W118 HydrophobicContact SD-CB 4.1Å; M106-W118 HydrophobicContact SD-CD2 4.19Å; M106-W118 HydrophobicContact SD-CE3 4.02Å; M106-W118 HydrophobicContact SD-CG 4.24Å; M106-I134 HydrophobicContact CE-CG2 4Å; M106-I134 HydrophobicContact SD-CD1 4.09Å; M106-I134 HydrophobicContact SD-CG2 4.37Å; M106-I288 HydrophobicContact CB-CG2 4.48Å; M106-I288 HydrophobicContact CG-CB 4.01Å; M106-I288 HydrophobicContact CG-CG2 3.92Å; M106-I288 HydrophobicContact SD-CB 3.99Å; M106-I288 HydrophobicContact SD-CD1 4.09Å; M106-I288 HydrophobicContact SD-CG2 4.03Å; M106-D290 CarbonylContact O-C 3.55Å; M106-I291 HydrophobicContact CB-CD1 4.11Å; M106-I291 HydrophobicContact CB-CG1 4.28Å; M106-I291 HydrophobicContact CG-CD1 4.42Å; M106-I291 PolarHBondContact O-N 2.69Å; M106-I291 HydrophobicContact SD-CD1 3.75Å
107	F	94.8	Very high	86.8	Confident	39 Å²	39	75.3 Å²	75.3	17%	0.171	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-135.5	15.2	-172.9	-42.6	-71.9	0	0	0	112.7	T58 L61 V63 E104 L105 L136 I291	T58-F107 HydrophobicContact CG2-CD1 4.2Å; L61-F107 HydrophobicContact CD1-CD2 4.3Å; L61-F107 HydrophobicContact CD1-CE1 4.13Å; L61-F107 HydrophobicContact CD1-CE2 3.88Å; L61-F107 HydrophobicContact CD1-CZ 3.8Å; L61-F107 HydrophobicContact CD2-CD1 3.95Å; L61-F107 HydrophobicContact CD2-CE1 3.64Å; L61-F107 HydrophobicContact CD2-CZ 4.13Å; L61-F107 HydrophobicContact CG-CE1 4.46Å; V63-F107 HydrophobicContact CB-CE2 3.81Å; V63-F107 HydrophobicContact CB-CZ 4.19Å; V63-F107 HydrophobicContact CG1-CE2 4.08Å; V63-F107 HydrophobicContact CG2-CE2 4.03Å; V63-F107 HydrophobicContact CG2-CZ 4.15Å; E104-F107 PolarHBondContact O-N 2.94Å; L105-F107 PolarHBondContact O-N 2.81Å; F107-L136 HydrophobicContact CE1-CD2 3.92Å; F107-L136 HydrophobicContact CZ-CD2 3.51Å; F107-I291 HydrophobicContact CD1-CB 4.22Å; F107-I291 HydrophobicContact CE1-CB 3.86Å; F107-I291 HydrophobicContact CE1-CD1 3.96Å; F107-I291 HydrophobicContact CE1-CG1 4.37Å; F107-I291 HydrophobicContact CE1-CG2 4.31Å; F107-I291 HydrophobicContact CZ-CD1 4.2Å
108	D	90.2	Very high	87	Confident	31 Å²	31	69.7 Å²	69.7	17%	0.166	37%	0.365	C	S	.	.	S	Bend	trans	-77.8	179.1	178.1	79.9	-16.2	0	0	0	111.5	E110 R112 T116	D108-E110 PolarHBondContact O-N 3.5Å; D108-R112 IonicContact OD2-CZ 3.29Å; D108-R112 IonicContact OD2-NH1 3.5Å; D108-R112 PolarHBondContact OD2-NH1 3.41Å; D108-T116 VanDerWaalsContact CG-OG1 3.26Å; D108-T116 PolarHBondContact OD1-OG1 3.27Å; D108-T116 VanDerWaalsContact OD1-OG1 3.07Å; D108-T116 WeakPolarHBondContact OD2-CB 3.23Å; D108-T116 PolarHBondContact OD2-OG1 3.27Å
109	F	79	Confident	87.3	Confident	162 Å²	162	61.1 Å²	61.1	71%	0.711	33%	0.325	S	S	*	.			trans	-75.1	120	-178.6	-71.3	-85.9	0	0	0	110.6
110	E	66.8	Low	87.5	Confident	114 Å²	114	58.2 Å²	58.2	53%	0.533	31%	0.31	S	S	.	.	S	Bend	trans	-54.6	154.1	172.4	-75.9	-168.6	139.6	0	0	113.4	D108 D290 K292	D108-E110 PolarHBondContact O-N 3.5Å; E110-D290 HydrophobicContact CG-CB 4.44Å; E110-K292 WeakPolarHBondContact OE1-CE 3.47Å; E110-K292 IonicContact OE1-NZ 3.76Å; E110-K292 PolarHBondContact OE1-NZ 3.46Å; E110-K292 WeakPolarHBondContact OE2-CE 3.33Å; E110-K292 IonicContact OE2-NZ 3.88Å; E110-K292 PolarHBondContact OE2-NZ 3.36Å
111	G	62.3	Low	87.5	Confident	64 Å²	64	58.4 Å²	58.4	66%	0.66	31%	0.312	S	S	*	.			trans	95.2	9.6	174.1	0	0	0	0	0	114.6
112	R	65.1	Low	87.5	Confident	134 Å²	134	57.6 Å²	57.6	51%	0.506	31%	0.308	S	S	.	.			trans	-68.3	139.4	164.4	-73.4	-178.3	178.3	164.9	-5.4	110.2	D108 P114 S115	D108-R112 IonicContact OD2-CZ 3.29Å; D108-R112 IonicContact OD2-NH1 3.5Å; D108-R112 PolarHBondContact OD2-NH1 3.41Å; R112-P114 CarbonylContact C-O 3.55Å; R112-P114 WeakPolarHBondContact CB-O 3.4Å; R112-P114 CarbonylContact O-C 3.3Å; R112-P114 VanDerWaalsContact O-C 3.3Å; R112-P114 VanDerWaalsContact O-O 3.13Å; R112-S115 PolarHBondContact O-N 3.28Å
113	H	65.8	Low	87.4	Confident	183 Å²	183	56.2 Å²	56.2	85%	0.847	30%	0.297	S	S	*	.	S	Bend	trans	-123.8	111.1	171.8	-68.2	-55.4	0	0	0	107.8
114	P	75.3	Confident	87.2	Confident	116 Å²	116	60.9 Å²	60.9	75%	0.753	32%	0.315	S	S	*	.	S	Bend	cis	-70.8	163.3	3.7	30.7	-35.2	0	0	0	114.2	R112	R112-P114 CarbonylContact C-O 3.55Å; R112-P114 WeakPolarHBondContact CB-O 3.4Å; R112-P114 CarbonylContact O-C 3.3Å; R112-P114 VanDerWaalsContact O-C 3.3Å; R112-P114 VanDerWaalsContact O-O 3.13Å
115	S	82.3	Confident	87.2	Confident	57 Å²	57	61.3 Å²	61.3	40%	0.399	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-63.6	137.1	173.1	42.4	0	0	0	0	110.4	R112 E153	R112-S115 PolarHBondContact O-N 3.28Å; S115-E153 PolarHBondContact OG-OE2 3.28Å
116	T	92.2	Very high	87.1	Confident	34 Å²	34	63.2 Å²	63.2	21%	0.209	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-87.6	148	169	37.2	0	0	0	0	109.3	L105 D108 S289	L105-T116 HydrophobicContact CD1-CG2 4.48Å; L105-T116 HydrophobicContact CD2-CG2 4.19Å; D108-T116 VanDerWaalsContact CG-OG1 3.26Å; D108-T116 PolarHBondContact OD1-OG1 3.27Å; D108-T116 VanDerWaalsContact OD1-OG1 3.07Å; D108-T116 WeakPolarHBondContact OD2-CB 3.23Å; D108-T116 PolarHBondContact OD2-OG1 3.27Å; T116-S289 WeakPolarHBondContact O-CA 3.35Å; T116-S289 WeakPolarHBondContact O-CB 3.4Å
117	F	95.1	Very high	87.1	Confident	28 Å²	28	68.2 Å²	68.2	12%	0.123	36%	0.355	C	S	.	.			trans	-159	146.9	179.2	52.2	-89.3	0	0	0	111	H101 L105 Q119 E153 A287 I288	H101-F117 WeakPolarHBondContact CB-O 3.37Å; H101-F117 AromaticContact CE1-CD2 3.86Å; H101-F117 AromaticContact CE1-CE1 3.95Å; H101-F117 AromaticContact CE1-CE2 3.19Å; H101-F117 WeakPolarHBondContact CE1-CE2 2.97Å; H101-F117 AromaticContact CE1-CZ 3.24Å; H101-F117 WeakPolarHBondContact CE1-CZ 3.09Å; H101-F117 AromaticContact CG-CE2 3.95Å; H101-F117 AromaticContact ND1-CD2 3.52Å; H101-F117 AromaticContact ND1-CE2 3.3Å; H101-F117 VanDerWaalsContact ND1-CE2 3.3Å; H101-F117 WeakPolarHBondContact ND1-CE2 3.36Å; H101-F117 AromaticContact ND1-CZ 3.79Å; H101-F117 PolarHBondContact ND1-O 3.36Å; H101-F117 AromaticContact NE2-CE2 3.74Å; H101-F117 AromaticContact NE2-CZ 3.89Å; L105-F117 WeakPolarHBondContact CD1-O 3.47Å; F117-Q119 HydrophobicContact CD2-CB 4.24Å; F117-Q119 HydrophobicContact CE2-CB 4.33Å; F117-E153 HydrophobicContact CB-CB 3.95Å; F117-E153 HydrophobicContact CD1-CB 3.97Å; F117-E153 HydrophobicContact CD1-CG 3.63Å; F117-E153 HydrophobicContact CD2-CB 4.28Å; F117-E153 HydrophobicContact CD2-CG 4.37Å; F117-E153 HydrophobicContact CE1-CG 3.79Å; F117-E153 HydrophobicContact CE2-CG 4.5Å; F117-E153 HydrophobicContact CG-CB 3.81Å; F117-E153 HydrophobicContact CG-CG 3.94Å; F117-E153 HydrophobicContact CZ-CG 4.23Å; F117-A287 HydrophobicContact CD2-CB 3.87Å; F117-A287 HydrophobicContact CE2-CB 4.41Å; F117-I288 CarbonylContact C-O 3.57Å; F117-I288 VanDerWaalsContact CA-O 3.28Å; F117-I288 WeakPolarHBondContact CA-O 3.38Å; F117-I288 WeakPolarHBondContact CB-O 3.27Å
118	W	97.7	Very high	87.2	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	147.5	162.4	166.2	76.2	0	0	0	109.6	L65 I70 T71 H101 M106 V132 I134 L266 A287 I288	L65-W118 HydrophobicContact CD1-CZ2 4.31Å; L65-W118 HydrophobicContact CD2-CZ2 4.27Å; I70-W118 HydrophobicContact CG2-CZ2 4.27Å; T71-W118 PolarHBondContact OG1-NE1 3.42Å; T71-W118 VanDerWaalsContact OG1-NE1 3.11Å; H101-W118 WeakPolarHBondContact O-CA 3.46Å; H101-W118 VanDerWaalsContact O-CD1 3.28Å; M106-W118 HydrophobicContact CE-CB 4.32Å; M106-W118 HydrophobicContact CE-CD2 4.35Å; M106-W118 HydrophobicContact CE-CG 4.16Å; M106-W118 HydrophobicContact CG-CB 3.51Å; M106-W118 HydrophobicContact CG-CG 4.27Å; M106-W118 HydrophobicContact SD-CB 4.1Å; M106-W118 HydrophobicContact SD-CD2 4.19Å; M106-W118 HydrophobicContact SD-CE3 4.02Å; M106-W118 HydrophobicContact SD-CG 4.24Å; W118-V132 HydrophobicContact CH2-CG1 3.98Å; W118-V132 HydrophobicContact CZ2-CG1 4.28Å; W118-I134 HydrophobicContact CE3-CD1 4.3Å; W118-I134 HydrophobicContact CH2-CD1 4.13Å; W118-I134 HydrophobicContact CZ3-CD1 3.82Å; W118-L266 HydrophobicContact CZ3-CD1 4.46Å; W118-A287 CarbonylContact O-C 3.51Å; W118-A287 WeakPolarHBondContact O-CA 3.06Å; W118-I288 HydrophobicContact CE3-CB 4.13Å; W118-I288 HydrophobicContact CE3-CD1 4.16Å; W118-I288 HydrophobicContact CE3-CG1 4.08Å; W118-I288 HydrophobicContact CZ3-CD1 4.04Å; W118-I288 HydrophobicContact CZ3-CG1 4.18Å; W118-I288 PolarHBondContact N-O 3.26Å; W118-I288 PolarHBondContact O-N 3.3Å
119	Q	97.7	Very high	87.4	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	136	178.5	178.5	172.4	-48	0	0	111.9	C72 H101 F117 F285 Y286 A287	C72-Q119 PolarHBondContact N-O 3.35Å; C72-Q119 VanDerWaalsContact N-O 3.11Å; H101-Q119 HydrophobicContact CB-CB 3.68Å; H101-Q119 PolarHBondContact O-N 3.48Å; F117-Q119 HydrophobicContact CD2-CB 4.24Å; F117-Q119 HydrophobicContact CE2-CB 4.33Å; Q119-F285 HydrophobicContact CG-CD2 3.82Å; Q119-F285 HydrophobicContact CG-CE2 4.26Å; Q119-Y286 CarbonylContact C-O 3.37Å; Q119-Y286 WeakPolarHBondContact CA-O 3.38Å; Q119-A287 HydrophobicContact CB-CB 4.31Å; Q119-A287 HydrophobicContact CG-CB 4.44Å
120	S	98.3	Very high	88.3	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-79.5	162.2	171.7	78.7	0	0	0	0	111.9	I70 Y286	I70-S120 CarbonylContact O-C 3.58Å; I70-S120 WeakPolarHBondContact O-CA 3.14Å; S120-Y286 PolarHBondContact N-O 3.32Å; S120-Y286 PolarHBondContact OG-N 2.67Å
121	A	97.3	Very high	89.8	Confident	25 Å²	25	67.3 Å²	67.3	21%	0.207	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-54.8	146.6	164.2	0	0	0	0	0	111.1	I70 E77	I70-A121 PolarHBondContact O-N 2.78Å; E77-A121 WeakPolarHBondContact OE1-CA 3.37Å
122	T	95.8	Very high	91.5	Very high	7 Å²	7	64.2 Å²	64.2	4%	0.043	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-64.9	156.8	172.3	56.2	0	0	0	0	112.1	E77 F79 K124 Y284 F285	E77-T122 PolarHBondContact OE1-N 2.05Å; E77-T122 PolarHBondContact OE2-OG1 2.64Å; F79-T122 HydrophobicContact CB-CG2 4.13Å; T122-K124 PolarHBondContact O-N 3.26Å; T122-K124 VanDerWaalsContact OG1-CE 3.26Å; T122-K124 WeakPolarHBondContact OG1-CE 3.48Å; T122-Y284 CarbonylContact C-O 3.48Å; T122-Y284 WeakPolarHBondContact CA-O 3.27Å; T122-F285 HydrophobicContact CG2-CB 4.46Å; T122-F285 HydrophobicContact CG2-CD1 4.37Å
123	W	96	Very high	93.1	Very high	16 Å²	16	59.2 Å²	59.2	6%	0.061	31%	0.309	C	S	.	.	S	Bend	trans	-75.9	48.3	-173.9	-161.6	1.7	0	0	0	114.5	E125 Y126 K128 L130 P269 V271 V276 Y284	W123-E125 VanDerWaalsContact C-N 3.28Å; W123-E125 PolarHBondContact O-N 2.83Å; W123-Y126 HydrophobicContact CD2-CD2 4.02Å; W123-Y126 AromaticContact CE2-CD2 3.64Å; W123-Y126 HydrophobicContact CE3-CD2 4.23Å; W123-Y126 AromaticContact CH2-CD2 3.82Å; W123-Y126 HydrophobicContact CH2-CD2 3.82Å; W123-Y126 AromaticContact CH2-CE2 3.86Å; W123-Y126 HydrophobicContact CH2-CE2 3.86Å; W123-Y126 AromaticContact CZ2-CD2 3.56Å; W123-Y126 HydrophobicContact CZ2-CD2 3.56Å; W123-Y126 AromaticContact CZ2-CE2 3.95Å; W123-Y126 HydrophobicContact CZ2-CE2 3.95Å; W123-Y126 HydrophobicContact CZ3-CD2 4.14Å; W123-Y126 HydrophobicContact CZ3-CE2 4.32Å; W123-Y126 PolarHBondContact O-N 3.01Å; W123-K128 PolarHBondContact NE1-O 3.49Å; W123-L130 HydrophobicContact CB-CB 4.48Å; W123-L130 HydrophobicContact CB-CD2 4.13Å; W123-L130 HydrophobicContact CD2-CB 4.15Å; W123-L130 HydrophobicContact CG-CB 3.87Å; W123-L130 HydrophobicContact CG-CD2 4.41Å; W123-P269 HydrophobicContact CD2-CG 4.27Å; W123-P269 HydrophobicContact CE3-CG 3.6Å; W123-P269 HydrophobicContact CZ3-CG 3.9Å; W123-V271 HydrophobicContact CZ3-CG1 4.15Å; W123-V276 HydrophobicContact CH2-CG2 4.37Å; W123-V276 HydrophobicContact CZ3-CG1 4.42Å; W123-V276 HydrophobicContact CZ3-CG2 3.94Å; W123-Y284 HydrophobicContact CE3-CD2 4.45Å; W123-Y284 HydrophobicContact CE3-CG 4.28Å; W123-Y284 PolarHBondContact N-O 3.14Å
124	K	93.3	Very high	94.7	Very high	120 Å²	120	50.5 Å²	50.5	52%	0.522	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.5	-177.6	-71.4	166.9	176.2	162.4	0	114.2	E77 T122 Y126	E77-K124 WeakPolarHBondContact OE2-CE 3.48Å; E77-K124 IonicContact OE2-NZ 3.67Å; E77-K124 PolarHBondContact OE2-NZ 3.37Å; T122-K124 PolarHBondContact O-N 3.26Å; T122-K124 VanDerWaalsContact OG1-CE 3.26Å; T122-K124 WeakPolarHBondContact OG1-CE 3.48Å; K124-Y126 PolarHBondContact O-N 2.83Å
125	E	94.3	Very high	95.8	Very high	126 Å²	126	45.9 Å²	45.9	59%	0.589	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	11.6	-179.6	-62	-168.8	-179	0	0	113.9	W123 K128	W123-E125 VanDerWaalsContact C-N 3.28Å; W123-E125 PolarHBondContact O-N 2.83Å; E125-K128 HydrophobicContact CB-CB 4.34Å; E125-K128 VanDerWaalsContact O-CB 3.22Å; E125-K128 WeakPolarHBondContact O-CB 3.45Å; E125-K128 PolarHBondContact O-N 2.87Å; E125-K128 WeakPolarHBondContact OE2-CD 3.47Å; E125-K128 WeakPolarHBondContact OE2-CE 3.5Å; E125-K128 IonicContact OE2-NZ 2.66Å; E125-K128 PolarHBondContact OE2-NZ 2.69Å
126	Y	94.8	Very high	96.6	Very high	72 Å²	72	43.2 Å²	43.2	28%	0.282	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	133.4	175.2	-173.8	-90.2	0	0	0	111	W123 K124 V276 E278 L281	W123-Y126 HydrophobicContact CD2-CD2 4.02Å; W123-Y126 AromaticContact CE2-CD2 3.64Å; W123-Y126 HydrophobicContact CE3-CD2 4.23Å; W123-Y126 AromaticContact CH2-CD2 3.82Å; W123-Y126 HydrophobicContact CH2-CD2 3.82Å; W123-Y126 AromaticContact CH2-CE2 3.86Å; W123-Y126 HydrophobicContact CH2-CE2 3.86Å; W123-Y126 AromaticContact CZ2-CD2 3.56Å; W123-Y126 HydrophobicContact CZ2-CD2 3.56Å; W123-Y126 AromaticContact CZ2-CE2 3.95Å; W123-Y126 HydrophobicContact CZ2-CE2 3.95Å; W123-Y126 HydrophobicContact CZ3-CD2 4.14Å; W123-Y126 HydrophobicContact CZ3-CE2 4.32Å; W123-Y126 PolarHBondContact O-N 3.01Å; K124-Y126 PolarHBondContact O-N 2.83Å; Y126-V276 HydrophobicContact CD2-CG1 4.02Å; Y126-V276 HydrophobicContact CE2-CB 3.9Å; Y126-V276 HydrophobicContact CE2-CG1 3.88Å; Y126-V276 HydrophobicContact CE2-CG2 3.84Å; Y126-E278 HydrophobicContact CD1-CG 4.05Å; Y126-E278 HydrophobicContact CE1-CG 3.72Å; Y126-L281 HydrophobicContact CD2-CD2 4.47Å; Y126-L281 HydrophobicContact CG-CD2 3.98Å
127	P	95.4	Very high	96.9	Very high	104 Å²	104	42.9 Å²	42.9	68%	0.675	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.4	7.4	14.7	35.9	-37.5	0	0	0	115.9
128	K	96.6	Very high	96.9	Very high	130 Å²	130	41.9 Å²	41.9	57%	0.565	21%	0.214	S	C	*	.	S	Bend	trans	-64.4	127.7	176.4	-178	178.5	159.6	-155.4	0	109.4	W123 E125 L130	W123-K128 PolarHBondContact NE1-O 3.49Å; E125-K128 HydrophobicContact CB-CB 4.34Å; E125-K128 VanDerWaalsContact O-CB 3.22Å; E125-K128 WeakPolarHBondContact O-CB 3.45Å; E125-K128 PolarHBondContact O-N 2.87Å; E125-K128 WeakPolarHBondContact OE2-CD 3.47Å; E125-K128 WeakPolarHBondContact OE2-CE 3.5Å; E125-K128 IonicContact OE2-NZ 2.66Å; E125-K128 PolarHBondContact OE2-NZ 2.69Å; K128-L130 PolarHBondContact O-N 3.35Å
129	P	95.6	Very high	96.8	Very high	73 Å²	73	44.4 Å²	44.4	47%	0.474	23%	0.232	S	C	.	.			trans	-57.6	132.8	-176.6	-27.6	35.6	0	0	0	113.6	Q131	P129-Q131 VanDerWaalsContact C-N 3.31Å; P129-Q131 HydrophobicContact CB-CG 3.95Å; P129-Q131 PolarHBondContact O-N 2.74Å
130	L	97.1	Very high	96.7	Very high	17 Å²	17	44.4 Å²	44.4	9%	0.089	23%	0.232	C	C	.	.			trans	-77.1	83.1	170.9	-174	67.1	0	0	0	109.3	I70 W123 K128 P269 Y286	I70-L130 HydrophobicContact CD1-CD1 3.95Å; W123-L130 HydrophobicContact CB-CB 4.48Å; W123-L130 HydrophobicContact CB-CD2 4.13Å; W123-L130 HydrophobicContact CD2-CB 4.15Å; W123-L130 HydrophobicContact CG-CB 3.87Å; W123-L130 HydrophobicContact CG-CD2 4.41Å; K128-L130 PolarHBondContact O-N 3.35Å; L130-P269 HydrophobicContact CD2-CG 4.33Å; L130-Y286 HydrophobicContact CD2-CD2 4.02Å; L130-Y286 HydrophobicContact CD2-CE2 3.89Å; L130-Y286 HydrophobicContact CG-CD2 4.34Å; L130-Y286 HydrophobicContact CG-CE2 3.92Å; L130-Y286 WeakPolarHBondContact O-CE2 3.45Å; L130-Y286 PolarHBondContact O-OH 3.22Å
131	Q	98.1	Very high	96.7	Very high	107 Å²	107	45 Å²	45	50%	0.5	24%	0.235	S	C	.	.			trans	-96.6	129.7	179.1	-68.8	179.5	-1.9	0	0	110.9	P129 L266 L267	P129-Q131 VanDerWaalsContact C-N 3.31Å; P129-Q131 HydrophobicContact CB-CG 3.95Å; P129-Q131 PolarHBondContact O-N 2.74Å; Q131-L266 WeakPolarHBondContact CA-O 3.5Å; Q131-L267 HydrophobicContact CG-CD2 4.47Å
132	V	98.6	Very high	96.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	127.4	-179.8	-169	0	0	0	0	110.4	I70 W118 I134 L266 Y286	I70-V132 HydrophobicContact CD1-CG2 4.02Å; I70-V132 HydrophobicContact CG1-CB 4.3Å; I70-V132 HydrophobicContact CG1-CG1 3.93Å; I70-V132 HydrophobicContact CG1-CG2 3.5Å; I70-V132 HydrophobicContact CG2-CG1 3.89Å; W118-V132 HydrophobicContact CH2-CG1 3.98Å; W118-V132 HydrophobicContact CZ2-CG1 4.28Å; V132-I134 HydrophobicContact CG1-CG1 4.39Å; V132-L266 HydrophobicContact CB-CB 4.18Å; V132-L266 HydrophobicContact CB-CD1 4.09Å; V132-L266 PolarHBondContact N-O 2.95Å; V132-L266 WeakPolarHBondContact O-CB 3.44Å; V132-L266 PolarHBondContact O-N 3.09Å; V132-Y286 HydrophobicContact CB-CD2 4.49Å; V132-Y286 HydrophobicContact CG2-CD2 3.76Å; V132-Y286 HydrophobicContact CG2-CE2 3.87Å
133	N	98.6	Very high	96.8	Very high	28 Å²	28	44.5 Å²	44.5	15%	0.15	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.5	175.9	-65	-30.2	0	0	0	109.4	L65 D66 I264 R265	L65-N133 CarbonylContact C-O 2.93Å; L65-N133 WeakPolarHBondContact CA-O 3.35Å; D66-N133 HydrophobicContact CB-CB 3.98Å; D66-N133 PolarHBondContact N-O 2.65Å; D66-N133 PolarHBondContact O-N 3.34Å; D66-N133 PolarHBondContact OD2-ND2 3.31Å; N133-I264 WeakPolarHBondContact CA-O 3.36Å; N133-R265 WeakPolarHBondContact OD1-CG 3.3Å
134	I	98.8	Very high	96.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	108.9	174.7	-50.3	175.9	0	0	0	107.7	V63 L65 M106 W118 V132 L136 R263 I264 L266 I288	V63-I134 HydrophobicContact CG2-CG2 4.01Å; L65-I134 HydrophobicContact CD2-CB 4.29Å; L65-I134 HydrophobicContact CD2-CG1 3.79Å; L65-I134 HydrophobicContact CD2-CG2 4.13Å; M106-I134 HydrophobicContact CE-CG2 4Å; M106-I134 HydrophobicContact SD-CD1 4.09Å; M106-I134 HydrophobicContact SD-CG2 4.37Å; W118-I134 HydrophobicContact CE3-CD1 4.3Å; W118-I134 HydrophobicContact CH2-CD1 4.13Å; W118-I134 HydrophobicContact CZ3-CD1 3.82Å; V132-I134 HydrophobicContact CG1-CG1 4.39Å; I134-L136 HydrophobicContact CG2-CD2 4.08Å; I134-R263 WeakPolarHBondContact O-CA 3.47Å; I134-I264 HydrophobicContact CB-CB 4.26Å; I134-I264 PolarHBondContact N-O 2.86Å; I134-I264 PolarHBondContact O-N 2.98Å; I134-L266 HydrophobicContact CD1-CD1 3.94Å; I134-L266 HydrophobicContact CG1-CD1 4.48Å; I134-I288 HydrophobicContact CD1-CD1 3.39Å
135	T	98.7	Very high	97	Very high	19 Å²	19	39.9 Å²	39.9	12%	0.117	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.4	-177.4	-52.1	0	0	0	0	110	V63 K64 W172 L262	V63-T135 CarbonylContact C-O 3.48Å; V63-T135 WeakPolarHBondContact CA-O 3.24Å; K64-T135 PolarHBondContact N-O 2.86Å; K64-T135 PolarHBondContact O-N 2.94Å; T135-W172 HydrophobicContact CG2-CH2 3.74Å; T135-W172 HydrophobicContact CG2-CZ2 3.97Å; T135-L262 WeakPolarHBondContact CA-O 3.45Å
136	L	98.4	Very high	97.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	109.7	178.2	-48.6	-179.4	0	0	0	108.3	L61 V63 F107 I134 W138 D261 L262 I291	L61-L136 HydrophobicContact CD1-CD2 4.26Å; L61-L136 HydrophobicContact CD2-CB 4.28Å; L61-L136 HydrophobicContact CD2-CD1 4.49Å; L61-L136 HydrophobicContact CD2-CD2 4.23Å; V63-L136 HydrophobicContact CG2-CD2 4.19Å; F107-L136 HydrophobicContact CE1-CD2 3.92Å; F107-L136 HydrophobicContact CZ-CD2 3.51Å; I134-L136 HydrophobicContact CG2-CD2 4.08Å; L136-W138 HydrophobicContact CB-CH2 3.7Å; L136-W138 HydrophobicContact CB-CZ2 4.3Å; L136-W138 HydrophobicContact CB-CZ3 4.03Å; L136-W138 HydrophobicContact CD1-CH2 4.35Å; L136-W138 VanDerWaalsContact O-CZ3 3.23Å; L136-W138 WeakPolarHBondContact O-CZ3 3.18Å; L136-D261 CarbonylContact O-C 3.56Å; L136-D261 WeakPolarHBondContact O-CA 3.14Å; L136-L262 HydrophobicContact CB-CB 4.29Å; L136-L262 HydrophobicContact CD1-CB 4.38Å; L136-L262 PolarHBondContact N-O 3.22Å; L136-L262 PolarHBondContact O-N 3.04Å; L136-I291 HydrophobicContact CD1-CG2 4.05Å
137	S	97.9	Very high	97.3	Very high	27 Å²	27	34.1 Å²	34.1	19%	0.189	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.9	-172.1	-50.2	0	0	0	0	111.8	L61 K62 D261	L61-S137 CarbonylContact C-O 3.49Å; L61-S137 WeakPolarHBondContact CA-O 3.49Å; K62-S137 PolarHBondContact N-O 3.47Å; K62-S137 PolarHBondContact O-N 3.43Å; S137-D261 VanDerWaalsContact CA-OD1 3.26Å; S137-D261 WeakPolarHBondContact CA-OD1 3.38Å; S137-D261 WeakPolarHBondContact CB-OD1 3.2Å; S137-D261 PolarHBondContact OG-OD1 2.94Å
138	W	96.9	Very high	97.5	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.027	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-14.2	179.7	-70.6	-85.9	0	0	0	114.1	M57 L61 L136 K140 I142 T260 L262 V293	M57-W138 PolarHBondContact O-NE1 3.31Å; L61-W138 HydrophobicContact CB-CD2 4.41Å; L61-W138 HydrophobicContact CB-CG 4.49Å; L61-W138 HydrophobicContact CB-CZ2 4.26Å; L61-W138 HydrophobicContact CD2-CZ2 4.08Å; L136-W138 HydrophobicContact CB-CH2 3.7Å; L136-W138 HydrophobicContact CB-CZ2 4.3Å; L136-W138 HydrophobicContact CB-CZ3 4.03Å; L136-W138 HydrophobicContact CD1-CH2 4.35Å; L136-W138 VanDerWaalsContact O-CZ3 3.23Å; L136-W138 WeakPolarHBondContact O-CZ3 3.18Å; W138-K140 PolarHBondContact O-N 3.02Å; W138-I142 HydrophobicContact CB-CD1 3.6Å; W138-I142 HydrophobicContact CD2-CD1 3.74Å; W138-I142 HydrophobicContact CG-CD1 3.22Å; W138-T260 PolarHBondContact N-O 2.97Å; W138-L262 HydrophobicContact CH2-CB 4.16Å; W138-L262 HydrophobicContact CH2-CD1 3.84Å; W138-L262 HydrophobicContact CH2-CG 3.94Å; W138-L262 HydrophobicContact CZ3-CB 4.07Å; W138-L262 HydrophobicContact CZ3-CD1 4.28Å; W138-L262 HydrophobicContact CZ3-CG 3.87Å; W138-V293 HydrophobicContact CH2-CG1 4.26Å; W138-V293 HydrophobicContact CH2-CG2 4.46Å; W138-V293 HydrophobicContact CZ2-CB 4.25Å; W138-V293 HydrophobicContact CZ2-CG1 3.94Å; W138-V293 HydrophobicContact CZ2-CG2 4.31Å
139	S	94.3	Very high	97.5	Very high	52 Å²	52	24.3 Å²	24.3	36%	0.364	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.8	22.2	-172.1	-58.8	0	0	0	0	113.7
140	K	96.5	Very high	97.6	Very high	1 Å²	1	21 Å²	21	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	143.5	-176.6	176.9	58.7	177	85.6	0	108.6	W138 K298 L313 P324 D325	W138-K140 PolarHBondContact O-N 3.02Å; K140-K298 PolarHBondContact NZ-O 3.2Å; K140-L313 HydrophobicContact CB-CB 4.09Å; K140-L313 WeakPolarHBondContact CB-O 2.99Å; K140-L313 WeakPolarHBondContact CD-O 3.47Å; K140-L313 HydrophobicContact CG-CB 4.09Å; K140-L313 HydrophobicContact CG-CD2 4.49Å; K140-L313 HydrophobicContact CG-CG 4.4Å; K140-L313 WeakPolarHBondContact CG-O 3.35Å; K140-P324 VanDerWaalsContact CE-O 3.23Å; K140-P324 WeakPolarHBondContact CE-O 3.45Å; K140-D325 VanDerWaalsContact CE-OD1 3.27Å; K140-D325 WeakPolarHBondContact CE-OD1 3.23Å; K140-D325 IonicContact NZ-OD1 3.84Å; K140-D325 PolarHBondContact NZ-OD1 3.33Å
141	T	98	Very high	97.5	Very high	11 Å²	11	21.5 Å²	21.5	7%	0.067	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	125.4	175.8	-39.7	0	0	0	0	110.3	Y168 T258 T260 K298 D325	T141-Y168 PolarHBondContact OG1-OH 2.99Å; T141-T258 HydrophobicContact CG2-CG2 3.24Å; T141-T260 HydrophobicContact CG2-CG2 4.4Å; T141-K298 HydrophobicContact CG2-CB 3.91Å; T141-K298 HydrophobicContact CG2-CD 3.49Å; T141-K298 VanDerWaalsContact CG2-CD 3.49Å; T141-K298 HydrophobicContact CG2-CG 4.34Å; T141-K298 WeakPolarHBondContact O-CB 3.23Å; T141-K298 PolarHBondContact O-N 2.94Å; T141-D325 VanDerWaalsContact CB-OD2 3.23Å; T141-D325 WeakPolarHBondContact CB-OD2 3.23Å; T141-D325 PolarHBondContact OG1-OD2 2.79Å
142	I	97.8	Very high	97.3	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	144.8	-177	-65.6	170	0	0	0	109.2	M57 W138 T258 V259 R296	M57-I142 HydrophobicContact CB-CD1 4.37Å; M57-I142 HydrophobicContact CE-CG2 4.38Å; M57-I142 HydrophobicContact CG-CD1 4.15Å; M57-I142 HydrophobicContact CG-CG2 4.04Å; M57-I142 HydrophobicContact SD-CD1 3.77Å; M57-I142 HydrophobicContact SD-CG1 4.34Å; M57-I142 HydrophobicContact SD-CG2 4.35Å; W138-I142 HydrophobicContact CB-CD1 3.6Å; W138-I142 HydrophobicContact CD2-CD1 3.74Å; W138-I142 HydrophobicContact CG-CD1 3.22Å; I142-T258 CarbonylContact O-C 3.58Å; I142-T258 VanDerWaalsContact O-CA 3.31Å; I142-T258 WeakPolarHBondContact O-CA 3.44Å; I142-V259 HydrophobicContact CB-CG2 4.44Å; I142-V259 PolarHBondContact N-O 3Å; I142-V259 PolarHBondContact O-N 3.2Å; I142-R296 CarbonylContact C-O 3.21Å; I142-R296 WeakPolarHBondContact CA-O 3.35Å; I142-R296 WeakPolarHBondContact CG2-O 3.39Å
143	E	97.7	Very high	96.9	Very high	22 Å²	22	18.8 Å²	18.8	10%	0.103	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.4	170.8	-65.2	177.6	152	0	0	108.5	F257 G295 R296 K298	E143-F257 WeakPolarHBondContact CA-O 3.37Å; E143-G295 CarbonylContact O-C 3.56Å; E143-G295 WeakPolarHBondContact O-CA 3.47Å; E143-R296 HydrophobicContact CB-CG 4.24Å; E143-R296 PolarHBondContact N-O 2.91Å; E143-R296 PolarHBondContact O-N 3.49Å; E143-R296 IonicContact OE2-CZ 2.61Å; E143-R296 IonicContact OE2-NH1 2.71Å; E143-R296 PolarHBondContact OE2-NH1 3.09Å; E143-K298 HydrophobicContact CG-CB 4.02Å; E143-K298 HydrophobicContact CG-CG 4.19Å
144	L	98.2	Very high	96.6	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.021	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	141.5	-179.2	-58.3	169.7	0	0	0	110.5	I148 Y175 I225 F257 V259 V293	L144-I148 HydrophobicContact CD1-CD1 3.98Å; L144-I148 HydrophobicContact CD1-CG1 4.5Å; L144-Y175 HydrophobicContact CD1-CE1 4.06Å; L144-I225 HydrophobicContact CB-CD1 3.72Å; L144-I225 HydrophobicContact CD1-CD1 3.74Å; L144-I225 HydrophobicContact CG-CD1 4.3Å; L144-F257 PolarHBondContact N-O 3.03Å; L144-V259 HydrophobicContact CD1-CG1 3.98Å; L144-V259 HydrophobicContact CD1-CG2 4.3Å; L144-V259 HydrophobicContact CD2-CG2 4.11Å; L144-V259 HydrophobicContact CG-CG2 4.13Å; L144-V293 HydrophobicContact CD2-CG1 3.62Å
145	T	95.9	Very high	96.2	Very high	35 Å²	35	18.6 Å²	18.6	22%	0.215	11%	0.111	C	C	.	.			trans	-126	-18.8	-172.9	53.3	0	0	0	0	113.5	S54 R294 G295 R296	S54-T145 PolarHBondContact OG-OG1 2.93Å; T145-R294 PolarHBondContact N-O 3Å; T145-R294 VanDerWaalsContact N-O 3.14Å; T145-R294 PolarHBondContact OG1-O 2.92Å; T145-G295 WeakPolarHBondContact OG1-CA 3.21Å; T145-G295 PolarHBondContact OG1-N 3.02Å; T145-R296 HydrophobicContact CG2-CG 4.16Å
146	D	96.9	Very high	96	Very high	47 Å²	47	18.5 Å²	18.5	25%	0.251	11%	0.109	S	C	.	.	S	Bend	trans	-134.8	170.2	178.7	-145	-36.1	0	0	0	109.8	I225 K226 R294	D146-I225 WeakPolarHBondContact O-CD1 3.41Å; D146-K226 WeakPolarHBondContact OD1-CD 3.14Å; D146-R294 HydrophobicContact CB-CB 3.76Å
147	N	97.7	Very high	95.8	Very high	30 Å²	30	18.7 Å²	18.7	16%	0.16	11%	0.11	C	C	.	.			trans	-58.7	142.7	177	-66.2	-7.8	0	0	0	110.7	V149 F223 I225 K226	N147-V149 HydrophobicContact CB-CG2 4.35Å; N147-F223 VanDerWaalsContact CA-O 3.28Å; N147-F223 WeakPolarHBondContact CA-O 3.48Å; N147-F223 WeakPolarHBondContact CB-O 3.35Å; N147-I225 PolarHBondContact OD1-N 3.37Å; N147-K226 PolarHBondContact OD1-N 3.04Å
148	I	98.4	Very high	95.7	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.021	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.3	164.1	-57.9	161	0	0	0	106.3	L144 I150 L162 Y175 H222 F223 I225 L262 K292 V293	L144-I148 HydrophobicContact CD1-CD1 3.98Å; L144-I148 HydrophobicContact CD1-CG1 4.5Å; I148-I150 HydrophobicContact CG2-CG1 4.43Å; I148-L162 HydrophobicContact CD1-CD2 4.08Å; I148-Y175 HydrophobicContact CD1-CE1 4.48Å; I148-H222 WeakPolarHBondContact O-CA 3.27Å; I148-F223 HydrophobicContact CB-CB 4.04Å; I148-F223 HydrophobicContact CD1-CB 4.47Å; I148-F223 HydrophobicContact CD1-CD1 3.86Å; I148-F223 HydrophobicContact CD1-CG 4.46Å; I148-F223 HydrophobicContact CG1-CD1 4.37Å; I148-F223 PolarHBondContact N-O 3.16Å; I148-F223 PolarHBondContact O-N 2.91Å; I148-I225 HydrophobicContact CD1-CD1 4.39Å; I148-I225 HydrophobicContact CG1-CD1 4.12Å; I148-L262 HydrophobicContact CD1-CD1 3.58Å; I148-L262 HydrophobicContact CD1-CD2 4.42Å; I148-L262 HydrophobicContact CG1-CD1 4.4Å; I148-K292 WeakPolarHBondContact CA-O 3.38Å; I148-V293 HydrophobicContact CG2-CG2 4.23Å
149	V	97.5	Very high	95.7	Very high	23 Å²	23	19.8 Å²	19.8	14%	0.139	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127	-178.8	-170.1	0	0	0	0	108.5	N147 I220 I291 K292	N147-V149 HydrophobicContact CB-CG2 4.35Å; V149-I220 HydrophobicContact CG1-CG2 3.51Å; V149-I291 CarbonylContact O-C 3.59Å; V149-I291 WeakPolarHBondContact O-CA 3.47Å; V149-K292 HydrophobicContact CB-CB 4.15Å; V149-K292 PolarHBondContact N-O 3.47Å; V149-K292 VanDerWaalsContact N-O 3.12Å; V149-K292 PolarHBondContact O-N 3.08Å
150	I	97.6	Very high	95.9	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.026	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.7	176.3	-54.4	164.7	0	0	0	106.8	I148 F152 M160 I221 I264 I288 I291	I148-I150 HydrophobicContact CG2-CG1 4.43Å; I150-F152 HydrophobicContact CB-CE2 4.15Å; I150-F152 HydrophobicContact CG2-CD2 4.07Å; I150-F152 HydrophobicContact CG2-CE2 3.44Å; I150-F152 VanDerWaalsContact CG2-CE2 3.44Å; I150-F152 HydrophobicContact CG2-CZ 3.85Å; I150-M160 HydrophobicContact CD1-CE 4.29Å; I150-I221 PolarHBondContact N-O 3.26Å; I150-I221 PolarHBondContact O-N 3.38Å; I150-I264 HydrophobicContact CD1-CD1 3.71Å; I150-I264 HydrophobicContact CD1-CG1 4.04Å; I150-I264 HydrophobicContact CG1-CD1 4.28Å; I150-I288 HydrophobicContact CG2-CD1 4.4Å; I150-I288 HydrophobicContact CG2-CG2 4.11Å; I150-I291 HydrophobicContact CG2-CG1 4.33Å
151	T	94.9	Very high	96	Very high	27 Å²	27	17.8 Å²	17.8	17%	0.166	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.2	179.3	-50.9	0	0	0	0	108.6	I220 I288 S289 D290	T151-I220 HydrophobicContact CG2-CG1 4.11Å; T151-I288 CarbonylContact O-C 3.6Å; T151-I288 WeakPolarHBondContact O-CG2 3.42Å; T151-S289 WeakPolarHBondContact CB-OG 3.23Å; T151-S289 WeakPolarHBondContact CG2-OG 3.37Å; T151-S289 PolarHBondContact O-N 2.89Å; T151-S289 PolarHBondContact O-OG 3.23Å; T151-D290 PolarHBondContact N-O 3.46Å; T151-D290 PolarHBondContact O-N 3.25Å
152	F	94.1	Very high	96	Very high	1 Å²	1	17.3 Å²	17.3	0%	0.004	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	145.6	177	-70.8	-98.2	0	0	0	110.2	I150 S154 R156 P157 M160 K219 I221 L266 A287 I288	I150-F152 HydrophobicContact CB-CE2 4.15Å; I150-F152 HydrophobicContact CG2-CD2 4.07Å; I150-F152 HydrophobicContact CG2-CE2 3.44Å; I150-F152 VanDerWaalsContact CG2-CE2 3.44Å; I150-F152 HydrophobicContact CG2-CZ 3.85Å; F152-S154 WeakPolarHBondContact CB-O 3.2Å; F152-R156 HydrophobicContact CD2-CG 4.11Å; F152-R156 HydrophobicContact CG-CG 4.48Å; F152-P157 HydrophobicContact CE1-CG 3.69Å; F152-P157 VanDerWaalsContact CZ-CD 3.48Å; F152-P157 HydrophobicContact CZ-CG 3.7Å; F152-M160 HydrophobicContact CZ-SD 4.2Å; F152-K219 WeakPolarHBondContact CB-O 3.33Å; F152-K219 PolarHBondContact N-O 2.98Å; F152-K219 VanDerWaalsContact O-CB 3.3Å; F152-K219 WeakPolarHBondContact O-CB 3.46Å; F152-K219 WeakPolarHBondContact O-CD 3.06Å; F152-I221 HydrophobicContact CD2-CD1 4.41Å; F152-I221 HydrophobicContact CD2-CG1 4.37Å; F152-I221 HydrophobicContact CE2-CB 4.48Å; F152-I221 HydrophobicContact CE2-CD1 3.67Å; F152-I221 HydrophobicContact CE2-CG1 3.97Å; F152-I221 HydrophobicContact CZ-CD1 4.31Å; F152-L266 HydrophobicContact CE1-CD2 4.28Å; F152-L266 HydrophobicContact CZ-CD2 4.24Å; F152-A287 CarbonylContact C-O 3.58Å; F152-A287 VanDerWaalsContact CA-O 3.23Å; F152-A287 WeakPolarHBondContact CA-O 3.28Å; F152-A287 WeakPolarHBondContact CB-O 3.15Å; F152-A287 WeakPolarHBondContact CD1-O 3.44Å; F152-I288 HydrophobicContact CD1-CG1 3.86Å; F152-I288 HydrophobicContact CE1-CD1 4.1Å; F152-I288 HydrophobicContact CE1-CG1 3.69Å; F152-I288 HydrophobicContact CZ-CD1 4.38Å; F152-I288 HydrophobicContact CZ-CG1 4.29Å
153	E	91.3	Very high	96.1	Very high	48 Å²	48	17.9 Å²	17.9	22%	0.224	10%	0.098	C	C	.	.	S	Bend	trans	-89.3	-36.1	163.7	-174.9	60.2	-123.3	0	0	110.3	S115 F117 K219 A287	S115-E153 PolarHBondContact OG-OE2 3.28Å; F117-E153 HydrophobicContact CB-CB 3.95Å; F117-E153 HydrophobicContact CD1-CB 3.97Å; F117-E153 HydrophobicContact CD1-CG 3.63Å; F117-E153 HydrophobicContact CD2-CB 4.28Å; F117-E153 HydrophobicContact CD2-CG 4.37Å; F117-E153 HydrophobicContact CE1-CG 3.79Å; F117-E153 HydrophobicContact CE2-CG 4.5Å; F117-E153 HydrophobicContact CG-CB 3.81Å; F117-E153 HydrophobicContact CG-CG 3.94Å; F117-E153 HydrophobicContact CZ-CG 4.23Å; E153-K219 PolarHBondContact O-NZ 2.96Å; E153-K219 IonicContact OE1-NZ 2.71Å; E153-K219 PolarHBondContact OE1-NZ 3.26Å; E153-A287 HydrophobicContact CB-CB 3.94Å; E153-A287 PolarHBondContact N-O 2.87Å
154	S	91.2	Very high	96.1	Very high	8 Å²	8	17.4 Å²	17.4	6%	0.056	10%	0.096	C	C	.	.	S	Bend	trans	-71.7	-179.5	169.9	66.2	0	0	0	0	111.4	F152 A287	F152-S154 WeakPolarHBondContact CB-O 3.2Å; S154-A287 PolarHBondContact N-O 2.82Å; S154-A287 PolarHBondContact OG-N 2.87Å; S154-A287 PolarHBondContact OG-O 3.18Å
155	G	90.4	Very high	96.1	Very high	16 Å²	16	17.2 Å²	17.2	17%	0.165	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-59.9	153.1	161	0	0	0	0	0	111.1
156	R	93.8	Very high	96.2	Very high	17 Å²	17	18.4 Å²	18.4	6%	0.064	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-68.6	144.3	174.4	-68.5	176.9	-61.3	-174.3	7.8	110.4	F152 Y210 T212 N217 S218 I220 I221 A270	F152-R156 HydrophobicContact CD2-CG 4.11Å; F152-R156 HydrophobicContact CG-CG 4.48Å; R156-Y210 VanDerWaalsContact CZ-C 3.4Å; R156-Y210 PolarHBondContact NE-O 2.89Å; R156-Y210 VanDerWaalsContact NH2-C 3.34Å; R156-Y210 PolarHBondContact NH2-O 2.78Å; R156-Y210 VanDerWaalsContact NH2-O 3.09Å; R156-T212 VanDerWaalsContact NH2-C 3.26Å; R156-T212 PolarHBondContact NH2-O 3.26Å; R156-N217 PolarHBondContact NH1-O 2.97Å; R156-S218 WeakPolarHBondContact CD-O 3.47Å; R156-S218 PolarHBondContact NE-O 3.06Å; R156-I220 WeakPolarHBondContact CD-O 3.42Å; R156-I220 PolarHBondContact NH1-O 3.01Å; R156-I220 VanDerWaalsContact NH1-O 3.11Å; R156-I221 HydrophobicContact CB-CD1 4.27Å; R156-I221 HydrophobicContact CB-CG1 4.48Å; R156-I221 HydrophobicContact CG-CD1 4.32Å; R156-I221 HydrophobicContact CG-CG1 4.04Å; R156-A270 VanDerWaalsContact O-CB 3.23Å; R156-A270 WeakPolarHBondContact O-CB 3.32Å
157	P	95.2	Very high	96.2	Very high	7 Å²	7	18.4 Å²	18.4	5%	0.045	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-56.6	139.4	-178.8	-24.6	33.8	0	0	0	112.9	F152 Q159 M160 L266 R268 Y286	F152-P157 HydrophobicContact CE1-CG 3.69Å; F152-P157 VanDerWaalsContact CZ-CD 3.48Å; F152-P157 HydrophobicContact CZ-CG 3.7Å; P157-Q159 PolarHBondContact O-N 2.98Å; P157-M160 HydrophobicContact CB-CB 4Å; P157-M160 HydrophobicContact CG-CB 4.28Å; P157-M160 HydrophobicContact CG-SD 4.28Å; P157-L266 HydrophobicContact CB-CD2 4.35Å; P157-L266 HydrophobicContact CG-CD2 3.52Å; P157-R268 WeakPolarHBondContact CA-O 3.35Å; P157-R268 WeakPolarHBondContact CB-O 3.37Å; P157-Y286 HydrophobicContact CB-CE1 3.92Å; P157-Y286 HydrophobicContact CG-CD1 4.11Å; P157-Y286 HydrophobicContact CG-CE1 3.84Å
158	D	94.8	Very high	96.2	Very high	18 Å²	18	22.1 Å²	22.1	10%	0.096	11%	0.112	C	C	.	.	S	Bend	trans	-66.2	-30	170.3	-90.9	48.3	0	0	0	112	A179 T180 R268 A270 V271	D158-A179 CarbonylContact O-C 3.6Å; D158-A179 VanDerWaalsContact O-CA 3.23Å; D158-A179 WeakPolarHBondContact O-CA 3.2Å; D158-T180 HydrophobicContact CB-CG2 4.2Å; D158-T180 PolarHBondContact O-N 2.82Å; D158-T180 PolarHBondContact O-OG1 2.91Å; D158-R268 HydrophobicContact CB-CB 4.12Å; D158-R268 HydrophobicContact CB-CG 4.05Å; D158-R268 PolarHBondContact N-O 3.17Å; D158-A270 WeakPolarHBondContact OD1-CA 3.22Å; D158-V271 PolarHBondContact OD1-N 3Å; D158-V271 VanDerWaalsContact OD1-N 3.15Å; D158-V271 WeakPolarHBondContact OD2-CG2 3.4Å
159	Q	97.1	Very high	96.1	Very high	39 Å²	39	23.1 Å²	23.1	18%	0.182	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	123.3	176.4	-65.5	178.2	-17.5	0	0	110	P157 A185 F186 L267 R268	P157-Q159 PolarHBondContact O-N 2.98Å; Q159-A185 HydrophobicContact CG-CB 3.91Å; Q159-F186 HydrophobicContact CB-CZ 4.41Å; Q159-L267 HydrophobicContact CB-CB 3.85Å; Q159-L267 HydrophobicContact CB-CD1 4.49Å; Q159-L267 PolarHBondContact O-N 2.94Å; Q159-R268 HydrophobicContact CB-CB 3.93Å; Q159-R268 HydrophobicContact CG-CB 4.16Å; Q159-R268 PolarHBondContact N-O 3.28Å; Q159-R268 PolarHBondContact O-N 2.82Å
160	M	98.3	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	146.3	178.1	-179.9	-176.7	88.6	0	0	111.5	I150 F152 P157 Y178 I221 I264 R265 L266	I150-M160 HydrophobicContact CD1-CE 4.29Å; F152-M160 HydrophobicContact CZ-SD 4.2Å; P157-M160 HydrophobicContact CB-CB 4Å; P157-M160 HydrophobicContact CG-CB 4.28Å; P157-M160 HydrophobicContact CG-SD 4.28Å; M160-Y178 HydrophobicContact CE-CD1 4.49Å; M160-Y178 HydrophobicContact CE-CD2 3.36Å; M160-Y178 HydrophobicContact CE-CE2 3.64Å; M160-Y178 HydrophobicContact CE-CG 3.83Å; M160-Y178 PolarHBondContact N-O 2.85Å; M160-Y178 PolarHBondContact O-N 2.9Å; M160-Y178 VanDerWaalsContact O-O 3.11Å; M160-I221 HydrophobicContact CE-CD1 3.67Å; M160-I221 HydrophobicContact CE-CG2 3.86Å; M160-I221 HydrophobicContact SD-CD1 4.1Å; M160-I264 HydrophobicContact CG-CG2 4.03Å; M160-I264 HydrophobicContact SD-CG2 3.62Å; M160-R265 CarbonylContact C-O 3.53Å; M160-R265 VanDerWaalsContact CA-O 3.27Å; M160-R265 WeakPolarHBondContact CA-O 3.29Å; M160-L266 HydrophobicContact CG-CD2 3.96Å; M160-L266 HydrophobicContact SD-CD2 3.81Å
161	I	98.8	Very high	96.1	Very high	10 Å²	10	35 Å²	35	5%	0.051	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.5	171.6	-47.2	173.7	0	0	0	108.7	E163 P174 Y177 F186 R265 L267	I161-E163 HydrophobicContact CG2-CG 3.84Å; I161-P174 HydrophobicContact CG2-CB 4.45Å; I161-Y177 HydrophobicContact CB-CD1 4.44Å; I161-Y177 HydrophobicContact CD1-CD1 4.05Å; I161-Y177 HydrophobicContact CD1-CE1 3.74Å; I161-Y177 HydrophobicContact CG1-CD1 3.76Å; I161-Y177 HydrophobicContact CG1-CE1 3.95Å; I161-Y177 HydrophobicContact CG2-CD1 4.02Å; I161-Y177 HydrophobicContact CG2-CE1 3.93Å; I161-F186 HydrophobicContact CD1-CE1 3.84Å; I161-F186 HydrophobicContact CD1-CZ 4.29Å; I161-F186 HydrophobicContact CG1-CE1 3.87Å; I161-F186 HydrophobicContact CG1-CZ 3.79Å; I161-R265 HydrophobicContact CB-CB 4.23Å; I161-R265 PolarHBondContact N-O 2.72Å; I161-R265 PolarHBondContact O-N 3.18Å; I161-L267 HydrophobicContact CD1-CD1 3.85Å; I161-L267 HydrophobicContact CG1-CD1 3.96Å
162	L	98.9	Very high	96.3	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.9	163.6	-179.2	65.1	0	0	0	108.2	I148 Y175 Q176 Y178 F223 I264	I148-L162 HydrophobicContact CD1-CD2 4.08Å; L162-Y175 HydrophobicContact CD2-CD1 4.19Å; L162-Y175 HydrophobicContact CG-CD1 4.42Å; L162-Y175 WeakPolarHBondContact O-CA 3.31Å; L162-Y175 VanDerWaalsContact O-CB 3.22Å; L162-Y175 WeakPolarHBondContact O-CB 3.06Å; L162-Y175 PolarHBondContact O-N 3.38Å; L162-Q176 PolarHBondContact N-O 2.55Å; L162-Q176 PolarHBondContact O-N 2.83Å; L162-Y178 HydrophobicContact CB-CE2 3.99Å; L162-F223 HydrophobicContact CD2-CB 3.88Å; L162-F223 HydrophobicContact CD2-CD1 4.44Å; L162-F223 HydrophobicContact CD2-CD2 4.08Å; L162-F223 HydrophobicContact CD2-CG 3.87Å; L162-I264 HydrophobicContact CD1-CG1 4.12Å
163	E	98.8	Very high	96.5	Very high	13 Å²	13	40.7 Å²	40.7	6%	0.061	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	157.6	176.8	-63.5	177.3	155.3	0	0	110.7	I161 W172 Q173 L262 R263 R265	I161-E163 HydrophobicContact CG2-CG 3.84Å; E163-W172 HydrophobicContact CB-CE3 4.07Å; E163-Q173 CarbonylContact C-O 3.28Å; E163-Q173 VanDerWaalsContact CA-O 3.29Å; E163-Q173 WeakPolarHBondContact CA-O 3.5Å; E163-Q173 WeakPolarHBondContact CB-O 3.29Å; E163-L262 WeakPolarHBondContact O-CA 3.39Å; E163-R263 HydrophobicContact CB-CB 4.33Å; E163-R263 PolarHBondContact N-O 3.21Å; E163-R263 PolarHBondContact O-N 3.02Å; E163-R263 IonicContact OE1-NH2 3.11Å; E163-R263 IonicContact OE2-CZ 2.76Å; E163-R263 IonicContact OE2-NE 3.84Å; E163-R263 PolarHBondContact OE2-NE 3.19Å; E163-R263 IonicContact OE2-NH2 2.87Å; E163-R263 PolarHBondContact OE2-NH2 3.32Å; E163-R265 WeakPolarHBondContact OE1-CD 3.08Å; E163-R265 IonicContact OE1-CZ 2.63Å; E163-R265 IonicContact OE1-NE 3.93Å; E163-R265 IonicContact OE1-NH1 2.67Å; E163-R265 PolarHBondContact OE1-NH1 2.81Å; E163-R265 WeakPolarHBondContact OE2-CD 3.07Å
164	K	98.4	Very high	96.8	Very high	12 Å²	12	40.2 Å²	40.2	5%	0.052	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.1	174.3	68.8	172.5	-164.7	154.8	0	112.3	Q173 Y175 D255 F256 T258 V259 D261 L262	K164-Q173 PolarHBondContact N-O 3.08Å; K164-Q173 PolarHBondContact O-N 2.98Å; K164-Y175 HydrophobicContact CB-CD1 3.85Å; K164-Y175 HydrophobicContact CB-CE1 4.29Å; K164-Y175 HydrophobicContact CB-CG 4.35Å; K164-Y175 HydrophobicContact CD-CD1 3.85Å; K164-Y175 HydrophobicContact CD-CD2 4.05Å; K164-Y175 HydrophobicContact CD-CE1 3.82Å; K164-Y175 HydrophobicContact CD-CE2 3.95Å; K164-Y175 HydrophobicContact CD-CG 3.98Å; K164-Y175 HydrophobicContact CG-CD1 4.1Å; K164-Y175 HydrophobicContact CG-CG 4.18Å; K164-D255 PolarHBondContact NZ-O 3.48Å; K164-F256 PolarHBondContact NZ-O 3.38Å; K164-T258 PolarHBondContact NZ-O 2.97Å; K164-V259 HydrophobicContact CB-CG1 3.97Å; K164-V259 HydrophobicContact CD-CG1 4.08Å; K164-D261 WeakPolarHBondContact CA-O 3.37Å; K164-L262 HydrophobicContact CB-CD2 3.85Å
165	S	98.6	Very high	97.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	151	168.6	-171.9	0	0	0	0	110.8	D167 G169 T171 T260 D261	S165-D167 PolarHBondContact OG-N 3.36Å; S165-D167 PolarHBondContact OG-OD1 2.84Å; S165-G169 WeakPolarHBondContact OG-CA 3.18Å; S165-G169 PolarHBondContact OG-N 3.18Å; S165-T171 VanDerWaalsContact CB-O 3.26Å; S165-T171 WeakPolarHBondContact CB-O 3.14Å; S165-T171 PolarHBondContact OG-O 3.39Å; S165-T260 PolarHBondContact O-N 3.45Å; S165-T260 PolarHBondContact O-OG1 3.49Å; S165-D261 PolarHBondContact N-O 3.3Å
166	L	97.3	Very high	97.5	Very high	59 Å²	59	39.1 Å²	39.1	31%	0.309	19%	0.186	S	C	.	.	S	Bend	trans	-118	-4.1	173.4	-74.6	172.8	0	0	0	112.2	T258	L166-T258 HydrophobicContact CD2-CG2 3.79Å; L166-T258 WeakPolarHBondContact CD2-O 3.3Å
167	D	96.9	Very high	97.8	Very high	47 Å²	47	40.7 Å²	40.7	25%	0.251	19%	0.192	S	C	.	.	S	Bend	trans	-130.5	33.3	-169.4	61.9	2.9	0	0	0	112.5	S165 R170 T171 T260	S165-D167 PolarHBondContact OG-N 3.36Å; S165-D167 PolarHBondContact OG-OD1 2.84Å; D167-R170 HydrophobicContact CB-CB 4.49Å; D167-R170 WeakPolarHBondContact O-CD 3.01Å; D167-R170 VanDerWaalsContact O-CG 3.28Å; D167-R170 WeakPolarHBondContact O-CG 3.38Å; D167-R170 PolarHBondContact OD1-N 3.2Å; D167-T171 VanDerWaalsContact CG-OG1 3.23Å; D167-T171 PolarHBondContact OD1-N 2.9Å; D167-T171 PolarHBondContact OD1-OG1 3.17Å; D167-T171 WeakPolarHBondContact OD2-CB 3.06Å; D167-T171 WeakPolarHBondContact OD2-CG2 3.13Å; D167-T171 PolarHBondContact OD2-N 3.47Å; D167-T171 PolarHBondContact OD2-OG1 3.38Å; D167-T260 PolarHBondContact N-OG1 3.33Å
168	Y	97.1	Very high	97.9	Very high	108 Å²	108	40.6 Å²	40.6	42%	0.424	19%	0.191	S	C	.	.	S	Bend	trans	63.7	46.6	175.3	-50.3	-79.2	0	0	0	112.8	T141 R170 T260 D261	T141-Y168 PolarHBondContact OG1-OH 2.99Å; Y168-R170 VanDerWaalsContact C-N 3.33Å; Y168-R170 PolarHBondContact O-N 3.29Å; Y168-T260 WeakPolarHBondContact CA-OG1 3.46Å; Y168-T260 HydrophobicContact CD1-CG2 3.86Å; Y168-T260 HydrophobicContact CE1-CG2 3.73Å; Y168-T260 HydrophobicContact CG-CG2 4.34Å; Y168-T260 PolarHBondContact N-OG1 2.86Å; Y168-D261 VanDerWaalsContact C-OD2 3.24Å; Y168-D261 WeakPolarHBondContact CA-OD2 3.14Å
169	G	96.8	Very high	98	Very high	26 Å²	26	40 Å²	40	27%	0.268	19%	0.189	S	C	.	.	S	Bend	trans	78.8	8.8	174.4	0	0	0	0	0	115.2	S165 W172 D261	S165-G169 WeakPolarHBondContact OG-CA 3.18Å; S165-G169 PolarHBondContact OG-N 3.18Å; G169-W172 PolarHBondContact O-NE1 3.06Å; G169-W172 VanDerWaalsContact O-NE1 3.11Å; G169-D261 PolarHBondContact N-OD2 2.87Å
170	R	97.6	Very high	97.9	Very high	209 Å²	209	40.9 Å²	40.9	79%	0.789	20%	0.197	S	C	*	.	S	Bend	trans	-75.9	-44.1	179.5	-64.9	175.2	-179	-145.4	-2.4	111.6	D167 Y168	D167-R170 HydrophobicContact CB-CB 4.49Å; D167-R170 WeakPolarHBondContact O-CD 3.01Å; D167-R170 VanDerWaalsContact O-CG 3.28Å; D167-R170 WeakPolarHBondContact O-CG 3.38Å; D167-R170 PolarHBondContact OD1-N 3.2Å; Y168-R170 VanDerWaalsContact C-N 3.33Å; Y168-R170 PolarHBondContact O-N 3.29Å
171	T	98	Very high	97.7	Very high	69 Å²	69	44.4 Å²	44.4	42%	0.423	22%	0.216	S	C	.	.	S	Bend	trans	-123.7	149.6	174.1	67.1	0	0	0	0	110.6	S165 D167	S165-T171 VanDerWaalsContact CB-O 3.26Å; S165-T171 WeakPolarHBondContact CB-O 3.14Å; S165-T171 PolarHBondContact OG-O 3.39Å; D167-T171 VanDerWaalsContact CG-OG1 3.23Å; D167-T171 PolarHBondContact OD1-N 2.9Å; D167-T171 PolarHBondContact OD1-OG1 3.17Å; D167-T171 WeakPolarHBondContact OD2-CB 3.06Å; D167-T171 WeakPolarHBondContact OD2-CG2 3.13Å; D167-T171 PolarHBondContact OD2-N 3.47Å; D167-T171 PolarHBondContact OD2-OG1 3.38Å
172	W	98.4	Very high	97.6	Very high	59 Å²	59	44 Å²	44	22%	0.223	21%	0.214	C	C	.	.			trans	-125.6	133.7	-176.2	-66.4	90.7	0	0	0	109	T135 E163 G169 D261 R263	T135-W172 HydrophobicContact CG2-CH2 3.74Å; T135-W172 HydrophobicContact CG2-CZ2 3.97Å; E163-W172 HydrophobicContact CB-CE3 4.07Å; G169-W172 PolarHBondContact O-NE1 3.06Å; G169-W172 VanDerWaalsContact O-NE1 3.11Å; W172-D261 HydrophobicContact CH2-CB 3.62Å; W172-D261 HydrophobicContact CZ2-CB 4.42Å; W172-D261 HydrophobicContact CZ3-CB 4.17Å; W172-R263 HydrophobicContact CD2-CB 4.43Å; W172-R263 HydrophobicContact CE3-CB 3.66Å; W172-R263 HydrophobicContact CH2-CB 3.69Å; W172-R263 HydrophobicContact CZ2-CB 4.43Å; W172-R263 HydrophobicContact CZ3-CB 3.26Å; W172-R263 HydrophobicContact CZ3-CG 4.5Å
173	Q	98.1	Very high	97.6	Very high	87 Å²	87	48.1 Å²	48.1	41%	0.407	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.9	177.5	-69.2	164.6	56.3	0	0	108.7	E163 K164	E163-Q173 CarbonylContact C-O 3.28Å; E163-Q173 VanDerWaalsContact CA-O 3.29Å; E163-Q173 WeakPolarHBondContact CA-O 3.5Å; E163-Q173 WeakPolarHBondContact CB-O 3.29Å; K164-Q173 PolarHBondContact N-O 3.08Å; K164-Q173 PolarHBondContact O-N 2.98Å
174	P	98.4	Very high	97.4	Very high	39 Å²	39	52.8 Å²	52.8	25%	0.253	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	140.3	175.3	25.8	-30.5	0	0	0	109.9	I161 Y177 I204	I161-P174 HydrophobicContact CG2-CB 4.45Å; P174-Y177 HydrophobicContact CB-CE2 3.59Å; P174-Y177 WeakPolarHBondContact CB-OH 3.42Å; P174-Y177 HydrophobicContact CG-CE2 4.18Å; P174-Y177 WeakPolarHBondContact CG-OH 3.2Å; P174-I204 HydrophobicContact CB-CG2 4.26Å; P174-I204 HydrophobicContact CG-CD1 4.23Å; P174-I204 WeakPolarHBondContact O-CD1 3.1Å
175	Y	98.4	Very high	97.3	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-43.2	179.7	-148.1	175.7	0	0	0	110.7	L144 I148 L162 K164 F223 F256 V259 L262	L144-Y175 HydrophobicContact CD1-CE1 4.06Å; I148-Y175 HydrophobicContact CD1-CE1 4.48Å; L162-Y175 HydrophobicContact CD2-CD1 4.19Å; L162-Y175 HydrophobicContact CG-CD1 4.42Å; L162-Y175 WeakPolarHBondContact O-CA 3.31Å; L162-Y175 VanDerWaalsContact O-CB 3.22Å; L162-Y175 WeakPolarHBondContact O-CB 3.06Å; L162-Y175 PolarHBondContact O-N 3.38Å; K164-Y175 HydrophobicContact CB-CD1 3.85Å; K164-Y175 HydrophobicContact CB-CE1 4.29Å; K164-Y175 HydrophobicContact CB-CG 4.35Å; K164-Y175 HydrophobicContact CD-CD1 3.85Å; K164-Y175 HydrophobicContact CD-CD2 4.05Å; K164-Y175 HydrophobicContact CD-CE1 3.82Å; K164-Y175 HydrophobicContact CD-CE2 3.95Å; K164-Y175 HydrophobicContact CD-CG 3.98Å; K164-Y175 HydrophobicContact CG-CD1 4.1Å; K164-Y175 HydrophobicContact CG-CG 4.18Å; Y175-F223 HydrophobicContact CD1-CE1 4.13Å; Y175-F223 HydrophobicContact CD1-CZ 4.13Å; Y175-F223 HydrophobicContact CD2-CE1 4.07Å; Y175-F223 AromaticContact CD2-CE2 3.81Å; Y175-F223 HydrophobicContact CD2-CE2 3.81Å; Y175-F223 AromaticContact CD2-CZ 3.34Å; Y175-F223 HydrophobicContact CD2-CZ 3.34Å; Y175-F223 HydrophobicContact CE1-CD1 4.3Å; Y175-F223 AromaticContact CE1-CE1 3.64Å; Y175-F223 HydrophobicContact CE1-CE1 3.64Å; Y175-F223 AromaticContact CE1-CZ 3.94Å; Y175-F223 HydrophobicContact CE1-CZ 3.94Å; Y175-F223 AromaticContact CE2-CE1 3.63Å; Y175-F223 HydrophobicContact CE2-CE1 3.63Å; Y175-F223 HydrophobicContact CE2-CE2 4.11Å; Y175-F223 AromaticContact CE2-CZ 3.17Å; Y175-F223 HydrophobicContact CE2-CZ 3.17Å; Y175-F223 HydrophobicContact CG-CE1 4.33Å; Y175-F223 HydrophobicContact CG-CE2 4.08Å; Y175-F223 AromaticContact CG-CZ 3.85Å; Y175-F223 HydrophobicContact CG-CZ 3.85Å; Y175-F223 AromaticContact CZ-CE1 3.34Å; Y175-F223 AromaticContact CZ-CZ 3.46Å; Y175-F223 VanDerWaalsContact CZ-CZ 3.46Å; Y175-F256 HydrophobicContact CD2-CE2 4.15Å; Y175-F256 AromaticContact CD2-CZ 3.97Å; Y175-F256 HydrophobicContact CD2-CZ 3.97Å; Y175-F256 HydrophobicContact CE2-CD1 4.07Å; Y175-F256 HydrophobicContact CE2-CD2 4.24Å; Y175-F256 AromaticContact CE2-CE1 3.62Å; Y175-F256 HydrophobicContact CE2-CE1 3.62Å; Y175-F256 AromaticContact CE2-CE2 3.83Å; Y175-F256 HydrophobicContact CE2-CE2 3.83Å; Y175-F256 HydrophobicContact CE2-CG 4.36Å; Y175-F256 AromaticContact CE2-CZ 3.5Å; Y175-F256 HydrophobicContact CE2-CZ 3.5Å; Y175-F256 PolarHBondContact OH-O 3Å; Y175-V259 HydrophobicContact CE1-CG1 4.21Å; Y175-L262 HydrophobicContact CD1-CD2 4.06Å; Y175-L262 HydrophobicContact CE1-CD2 4.26Å
176	Q	98.7	Very high	97.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	146.9	170.9	-167	150.2	-67	0	0	110.5	L162 Y178 I205 T207 F223 E224	L162-Q176 PolarHBondContact N-O 2.55Å; L162-Q176 PolarHBondContact O-N 2.83Å; Q176-Y178 HydrophobicContact CB-CE2 3.82Å; Q176-Y178 HydrophobicContact CG-CE1 4.27Å; Q176-Y178 HydrophobicContact CG-CE2 3.99Å; Q176-Y178 PolarHBondContact NE2-OH 3.19Å; Q176-I205 HydrophobicContact CG-CG1 4.36Å; Q176-T207 HydrophobicContact CG-CG2 4.39Å; Q176-F223 HydrophobicContact CB-CD2 3.82Å; Q176-F223 HydrophobicContact CB-CE2 3.98Å; Q176-F223 HydrophobicContact CG-CD2 4.47Å; Q176-E224 PolarHBondContact NE2-OE2 3.48Å
177	Y	98.8	Very high	97.3	Very high	49 Å²	49	60.1 Å²	60.1	19%	0.192	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	142.9	174.3	-64.4	-98.3	0	0	0	110.2	I161 P174 F186 M188 I204 I205 C206 T207	I161-Y177 HydrophobicContact CB-CD1 4.44Å; I161-Y177 HydrophobicContact CD1-CD1 4.05Å; I161-Y177 HydrophobicContact CD1-CE1 3.74Å; I161-Y177 HydrophobicContact CG1-CD1 3.76Å; I161-Y177 HydrophobicContact CG1-CE1 3.95Å; I161-Y177 HydrophobicContact CG2-CD1 4.02Å; I161-Y177 HydrophobicContact CG2-CE1 3.93Å; P174-Y177 HydrophobicContact CB-CE2 3.59Å; P174-Y177 WeakPolarHBondContact CB-OH 3.42Å; P174-Y177 HydrophobicContact CG-CE2 4.18Å; P174-Y177 WeakPolarHBondContact CG-OH 3.2Å; Y177-F186 HydrophobicContact CD1-CB 4.34Å; Y177-F186 AromaticContact CD1-CD1 3.7Å; Y177-F186 HydrophobicContact CD1-CD1 3.7Å; Y177-F186 AromaticContact CD1-CD2 3.83Å; Y177-F186 HydrophobicContact CD1-CD2 3.83Å; Y177-F186 AromaticContact CD1-CE1 3.87Å; Y177-F186 HydrophobicContact CD1-CE1 3.87Å; Y177-F186 AromaticContact CD1-CE2 3.96Å; Y177-F186 HydrophobicContact CD1-CE2 3.96Å; Y177-F186 AromaticContact CD1-CG 3.68Å; Y177-F186 HydrophobicContact CD1-CG 3.68Å; Y177-F186 AromaticContact CD1-CZ 3.99Å; Y177-F186 HydrophobicContact CD1-CZ 3.99Å; Y177-F186 HydrophobicContact CE1-CD1 4.03Å; Y177-F186 HydrophobicContact CE1-CE1 4.31Å; Y177-F186 HydrophobicContact CE1-CG 4.32Å; Y177-F186 HydrophobicContact CG-CD2 4.26Å; Y177-F186 HydrophobicContact CG-CE2 4.5Å; Y177-F186 HydrophobicContact CG-CG 4.39Å; Y177-M188 HydrophobicContact CD2-CE 4.26Å; Y177-M188 HydrophobicContact CD2-SD 3.74Å; Y177-M188 HydrophobicContact CE2-SD 3.98Å; Y177-M188 HydrophobicContact CG-SD 4.11Å; Y177-I204 HydrophobicContact CD2-CG2 3.91Å; Y177-I204 HydrophobicContact CE2-CG2 3.77Å; Y177-I205 PolarHBondContact N-O 2.82Å; Y177-C206 WeakPolarHBondContact O-CA 3.23Å; Y177-T207 PolarHBondContact O-N 2.74Å
178	Y	98.3	Very high	97.3	Very high	5 Å²	5	60.3 Å²	60.3	2%	0.02	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.1	-179.9	-57.3	-92.5	0	0	0	108.4	M160 L162 Q176 T207 Y210 I221 H222	M160-Y178 HydrophobicContact CE-CD1 4.49Å; M160-Y178 HydrophobicContact CE-CD2 3.36Å; M160-Y178 HydrophobicContact CE-CE2 3.64Å; M160-Y178 HydrophobicContact CE-CG 3.83Å; M160-Y178 PolarHBondContact N-O 2.85Å; M160-Y178 PolarHBondContact O-N 2.9Å; M160-Y178 VanDerWaalsContact O-O 3.11Å; L162-Y178 HydrophobicContact CB-CE2 3.99Å; Q176-Y178 HydrophobicContact CB-CE2 3.82Å; Q176-Y178 HydrophobicContact CG-CE1 4.27Å; Q176-Y178 HydrophobicContact CG-CE2 3.99Å; Q176-Y178 PolarHBondContact NE2-OH 3.19Å; Y178-T207 HydrophobicContact CD1-CG2 3.57Å; Y178-T207 HydrophobicContact CE1-CG2 3.74Å; Y178-T207 HydrophobicContact CG-CG2 4.43Å; Y178-Y210 AromaticContact CD1-CD2 3.69Å; Y178-Y210 HydrophobicContact CD1-CD2 3.69Å; Y178-Y210 HydrophobicContact CD1-CE2 4.39Å; Y178-Y210 HydrophobicContact CD1-CG 4.46Å; Y178-Y210 AromaticContact CE1-CD2 3.68Å; Y178-Y210 HydrophobicContact CE1-CD2 3.68Å; Y178-Y210 AromaticContact CE1-CE2 3.94Å; Y178-Y210 HydrophobicContact CE1-CE2 3.94Å; Y178-I221 HydrophobicContact CD1-CG2 3.72Å; Y178-I221 HydrophobicContact CE1-CG2 3.37Å; Y178-I221 HydrophobicContact CE2-CG2 4.42Å; Y178-I221 HydrophobicContact CG-CG2 4.37Å; Y178-H222 WeakPolarHBondContact CE1-O 3.11Å; Y178-H222 PolarHBondContact OH-O 3.14Å
179	A	96.8	Very high	97.4	Very high	5 Å²	5	60.6 Å²	60.6	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	161.2	179.2	0	0	0	0	0	111.8	D158 A185 F186 T207 E208	D158-A179 CarbonylContact O-C 3.6Å; D158-A179 VanDerWaalsContact O-CA 3.23Å; D158-A179 WeakPolarHBondContact O-CA 3.2Å; A179-A185 HydrophobicContact CB-CB 3.8Å; A179-F186 HydrophobicContact CB-CD2 4.1Å; A179-F186 HydrophobicContact CB-CE2 3.9Å; A179-T207 PolarHBondContact N-O 2.89Å; A179-E208 WeakPolarHBondContact O-CA 3.24Å
180	T	93.9	Very high	97.4	Very high	58 Å²	58	62.1 Å²	62.1	36%	0.356	31%	0.311	S	S	.	.	S	Bend	trans	-73.7	-34.4	162.8	44.6	0	0	0	0	112.4	D158	D158-T180 HydrophobicContact CB-CG2 4.2Å; D158-T180 PolarHBondContact O-N 2.82Å; D158-T180 PolarHBondContact O-OG1 2.91Å
181	D	94.6	Very high	97.4	Very high	75 Å²	75	55.8 Å²	55.8	40%	0.401	29%	0.289	S	S	.	.	S	Bend	trans	-137.4	107.6	171.8	-176.5	-29.5	0	0	0	108.8	L183 D184 A185	D181-L183 PolarHBondContact OD1-N 3.48Å; D181-D184 HydrophobicContact CB-CB 4.1Å; D181-D184 PolarHBondContact OD1-N 3.11Å; D181-A185 WeakPolarHBondContact O-CB 3.46Å; D181-A185 PolarHBondContact O-N 2.95Å
182	C	97.4	Very high	97.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-70.2	-31	-176.8	-81.6	0	0	0	0	113.3	F186 H187 M188 P190 C206 E208	C182-F186 PolarHBondContact O-N 3.03Å; C182-F186 VanDerWaalsContact O-N 3.1Å; C182-H187 PolarHBondContact O-N 3.26Å; C182-M188 CarbonylContact C-O 3.56Å; C182-M188 VanDerWaalsContact CB-O 3.31Å; C182-M188 WeakPolarHBondContact CB-O 3.18Å; C182-M188 PolarHBondContact O-N 3.41Å; C182-P190 HydrophobicContact CB-CB 4.18Å; C182-C206 HydrophobicContact CB-CB 3.73Å; C182-C206 WeakPolarHBondContact CB-SG 3.36Å; C182-C206 WeakPolarHBondContact SG-CB 3.12Å; C182-C206 CovalentContact SG-SG 2.03Å; C182-C206 PolarHBondContact SG-SG 2.94Å; C182-E208 HydrophobicContact CB-CG 4.29Å; C182-E208 PolarHBondContact N-OE1 2.85Å
183	L	97.8	Very high	97.2	Very high	90 Å²	90	50.3 Å²	50.3	47%	0.471	26%	0.262	S	S	.	.	H	α-helix	trans	-72.9	-41.6	-178.7	-72.9	169.2	0	0	0	110.8	D181 H187 M188	D181-L183 PolarHBondContact OD1-N 3.48Å; L183-H187 VanDerWaalsContact O-CA 3.23Å; L183-H187 WeakPolarHBondContact O-CA 3.34Å; L183-H187 PolarHBondContact O-N 3.32Å; L183-H187 PolarHBondContact O-ND1 3.17Å; L183-M188 WeakPolarHBondContact CD2-O 3.47Å; L183-M188 PolarHBondContact N-O 2.96Å
184	D	95.2	Very high	96.9	Very high	110 Å²	110	53.8 Å²	53.8	59%	0.588	28%	0.276	S	S	*	.	H	α-helix	trans	-71.4	-49.6	175.7	-175.9	68.7	0	0	0	111.7	D181	D181-D184 HydrophobicContact CB-CB 4.1Å; D181-D184 PolarHBondContact OD1-N 3.11Å
185	A	95.9	Very high	96.7	Very high	24 Å²	24	57.5 Å²	57.5	20%	0.198	29%	0.294	C	S	.	.	H	α-helix	trans	-71.4	-41.8	-171.7	0	0	0	0	0	114	Q159 A179 D181	Q159-A185 HydrophobicContact CG-CB 3.91Å; A179-A185 HydrophobicContact CB-CB 3.8Å; D181-A185 WeakPolarHBondContact O-CB 3.46Å; D181-A185 PolarHBondContact O-N 2.95Å
186	F	97.9	Very high	96.6	Very high	38 Å²	38	58 Å²	58	17%	0.167	30%	0.297	C	S	.	.	H	α-helix	trans	-132.3	1	-169.2	-58.3	-59.6	0	0	0	113.8	Q159 I161 Y177 A179 C182 M188 L267	Q159-F186 HydrophobicContact CB-CZ 4.41Å; I161-F186 HydrophobicContact CD1-CE1 3.84Å; I161-F186 HydrophobicContact CD1-CZ 4.29Å; I161-F186 HydrophobicContact CG1-CE1 3.87Å; I161-F186 HydrophobicContact CG1-CZ 3.79Å; Y177-F186 HydrophobicContact CD1-CB 4.34Å; Y177-F186 AromaticContact CD1-CD1 3.7Å; Y177-F186 HydrophobicContact CD1-CD1 3.7Å; Y177-F186 AromaticContact CD1-CD2 3.83Å; Y177-F186 HydrophobicContact CD1-CD2 3.83Å; Y177-F186 AromaticContact CD1-CE1 3.87Å; Y177-F186 HydrophobicContact CD1-CE1 3.87Å; Y177-F186 AromaticContact CD1-CE2 3.96Å; Y177-F186 HydrophobicContact CD1-CE2 3.96Å; Y177-F186 AromaticContact CD1-CG 3.68Å; Y177-F186 HydrophobicContact CD1-CG 3.68Å; Y177-F186 AromaticContact CD1-CZ 3.99Å; Y177-F186 HydrophobicContact CD1-CZ 3.99Å; Y177-F186 HydrophobicContact CE1-CD1 4.03Å; Y177-F186 HydrophobicContact CE1-CE1 4.31Å; Y177-F186 HydrophobicContact CE1-CG 4.32Å; Y177-F186 HydrophobicContact CG-CD2 4.26Å; Y177-F186 HydrophobicContact CG-CE2 4.5Å; Y177-F186 HydrophobicContact CG-CG 4.39Å; A179-F186 HydrophobicContact CB-CD2 4.1Å; A179-F186 HydrophobicContact CB-CE2 3.9Å; C182-F186 PolarHBondContact O-N 3.03Å; C182-F186 VanDerWaalsContact O-N 3.1Å; F186-M188 VanDerWaalsContact C-N 3.25Å; F186-M188 HydrophobicContact CB-CG 4.19Å; F186-M188 HydrophobicContact CB-SD 4.28Å; F186-M188 PolarHBondContact O-N 2.95Å; F186-L267 HydrophobicContact CE1-CD1 3.75Å; F186-L267 HydrophobicContact CZ-CD1 3.9Å
187	H	98.1	Very high	96.5	Very high	163 Å²	163	60.3 Å²	60.3	76%	0.755	31%	0.313	S	S	*	.	S	Bend	trans	55.5	41.2	-175.5	-52	-43.7	0	0	0	112.7	C182 L183	C182-H187 PolarHBondContact O-N 3.26Å; L183-H187 VanDerWaalsContact O-CA 3.23Å; L183-H187 WeakPolarHBondContact O-CA 3.34Å; L183-H187 PolarHBondContact O-N 3.32Å; L183-H187 PolarHBondContact O-ND1 3.17Å
188	M	98.2	Very high	96.2	Very high	52 Å²	52	62.2 Å²	62.2	26%	0.256	32%	0.323	S	S	.	.			trans	-123.3	142.4	179.4	-64.9	-178.8	72.5	0	0	110.2	Y177 C182 L183 F186 C206	Y177-M188 HydrophobicContact CD2-CE 4.26Å; Y177-M188 HydrophobicContact CD2-SD 3.74Å; Y177-M188 HydrophobicContact CE2-SD 3.98Å; Y177-M188 HydrophobicContact CG-SD 4.11Å; C182-M188 CarbonylContact C-O 3.56Å; C182-M188 VanDerWaalsContact CB-O 3.31Å; C182-M188 WeakPolarHBondContact CB-O 3.18Å; C182-M188 PolarHBondContact O-N 3.41Å; L183-M188 WeakPolarHBondContact CD2-O 3.47Å; L183-M188 PolarHBondContact N-O 2.96Å; F186-M188 VanDerWaalsContact C-N 3.25Å; F186-M188 HydrophobicContact CB-CG 4.19Å; F186-M188 HydrophobicContact CB-SD 4.28Å; F186-M188 PolarHBondContact O-N 2.95Å; M188-C206 HydrophobicContact CB-CB 3.81Å; M188-C206 HydrophobicContact CE-CB 4.35Å; M188-C206 HydrophobicContact SD-CB 4.06Å
189	D	97.8	Very high	96	Very high	114 Å²	114	70.1 Å²	70.1	61%	0.61	36%	0.36	S	S	*	.			trans	-65.7	135.2	169.7	-63.6	-58.7	0	0	0	110.1	K191	D189-K191 PolarHBondContact O-N 2.76Å
190	P	97.6	Very high	95.9	Very high	57 Å²	57	72.2 Å²	72.2	37%	0.37	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-67.2	131.3	175.9	27.5	-33.4	0	0	0	110.7	C182 E208	C182-P190 HydrophobicContact CB-CB 4.18Å; P190-E208 HydrophobicContact CB-CG 3.92Å
191	K	97	Very high	96	Very high	77 Å²	77	69.7 Å²	69.7	34%	0.335	36%	0.357	S	S	.	.			trans	-138.6	151.7	177.3	-64.8	-175.5	-176.5	-179.4	0	111.2	D189 E203 I205 C206 T207	D189-K191 PolarHBondContact O-N 2.76Å; K191-E203 IonicContact NZ-OE1 2.73Å; K191-E203 PolarHBondContact NZ-OE1 3.33Å; K191-I205 HydrophobicContact CB-CB 4.18Å; K191-I205 HydrophobicContact CB-CD1 4.4Å; K191-I205 HydrophobicContact CB-CG2 4.14Å; K191-I205 HydrophobicContact CD-CG2 4.08Å; K191-C206 PolarHBondContact N-O 2.87Å; K191-T207 WeakPolarHBondContact O-CA 3.46Å; K191-T207 WeakPolarHBondContact O-CB 3.2Å
192	S	96.1	Very high	96.1	Very high	9 Å²	9	68.9 Å²	68.9	6%	0.063	35%	0.352	C	S	.	.			trans	-97.8	156.4	165.6	-177.3	0	0	0	0	110.7	K194 D195 E209	S192-K194 PolarHBondContact O-N 2.87Å; S192-K194 PolarHBondContact OG-N 3.24Å; S192-D195 WeakPolarHBondContact CB-OD2 3.22Å; S192-D195 PolarHBondContact N-OD2 2.66Å; S192-D195 WeakPolarHBondContact O-CB 3.35Å; S192-D195 PolarHBondContact O-N 2.67Å; S192-E209 WeakPolarHBondContact CB-OE1 3.47Å; S192-E209 VanDerWaalsContact OG-CD 3.25Å; S192-E209 PolarHBondContact OG-OE1 2.87Å; S192-E209 PolarHBondContact OG-OE2 3.5Å
193	V	96.4	Very high	96.1	Very high	3 Å²	3	72 Å²	72	2%	0.018	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-59.7	-26.2	168.8	173.9	0	0	0	0	111.1	D195 L196 I205 E224 D227 R228 F231	V193-D195 PolarHBondContact O-N 2.85Å; V193-L196 HydrophobicContact CG1-CD1 4.38Å; V193-L196 WeakPolarHBondContact O-CB 3.32Å; V193-L196 PolarHBondContact O-N 2.92Å; V193-I205 HydrophobicContact CG2-CD1 3.79Å; V193-E224 HydrophobicContact CB-CB 4.2Å; V193-E224 HydrophobicContact CB-CG 4.47Å; V193-E224 HydrophobicContact CG1-CB 4.17Å; V193-E224 HydrophobicContact CG2-CB 4.01Å; V193-E224 HydrophobicContact CG2-CG 4.25Å; V193-E224 WeakPolarHBondContact CG2-OE2 3.49Å; V193-D227 HydrophobicContact CG1-CB 3.89Å; V193-R228 HydrophobicContact CG1-CG 3.97Å; V193-F231 HydrophobicContact CG1-CE2 4.34Å; V193-F231 WeakPolarHBondContact O-CZ 3.35Å
194	K	92.6	Very high	96.1	Very high	160 Å²	160	70.6 Å²	70.6	70%	0.696	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-65.4	-23.2	175	-63.5	169.9	-170.8	147.7	0	113.4	S192 L196 E209	S192-K194 PolarHBondContact O-N 2.87Å; S192-K194 PolarHBondContact OG-N 3.24Å; K194-L196 VanDerWaalsContact C-N 3.32Å; K194-E209 IonicContact NZ-OE1 3.61Å
195	D	94.1	Very high	96.3	Very high	118 Å²	118	65.5 Å²	65.5	63%	0.631	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-85.8	-8.7	179	-53.7	-44.9	0	0	0	112.3	S192 V193	S192-D195 WeakPolarHBondContact CB-OD2 3.22Å; S192-D195 PolarHBondContact N-OD2 2.66Å; S192-D195 WeakPolarHBondContact O-CB 3.35Å; S192-D195 PolarHBondContact O-N 2.67Å; V193-D195 PolarHBondContact O-N 2.85Å
196	L	96.1	Very high	96.4	Very high	12 Å²	12	64.3 Å²	64.3	6%	0.063	32%	0.322	C	S	.	.			trans	-74.7	167.7	176.3	-61.3	-179.7	0	0	0	111.6	V193 K194 E203 I205 F231	V193-L196 HydrophobicContact CG1-CD1 4.38Å; V193-L196 WeakPolarHBondContact O-CB 3.32Å; V193-L196 PolarHBondContact O-N 2.92Å; K194-L196 VanDerWaalsContact C-N 3.32Å; L196-E203 HydrophobicContact CD2-CB 4.18Å; L196-I205 HydrophobicContact CD2-CG2 3.9Å; L196-F231 HydrophobicContact CB-CE2 4.01Å; L196-F231 HydrophobicContact CB-CZ 3.77Å; L196-F231 WeakPolarHBondContact O-CE1 3.37Å; L196-F231 VanDerWaalsContact O-CZ 3.3Å; L196-F231 WeakPolarHBondContact O-CZ 3.29Å
197	S	95.4	Very high	96.4	Very high	48 Å²	48	62.7 Å²	62.7	34%	0.336	32%	0.315	S	S	.	.			trans	-125.1	170.2	176.8	73.4	0	0	0	0	110.8	H199 T200 V201	S197-H199 PolarHBondContact O-N 3.4Å; S197-H199 VanDerWaalsContact O-N 3.16Å; S197-H199 PolarHBondContact OG-N 2.79Å; S197-T200 PolarHBondContact N-OG1 3.08Å; S197-T200 CarbonylContact O-C 3.58Å; S197-T200 PolarHBondContact O-N 2.04Å; S197-T200 VanDerWaalsContact O-N 3.07Å; S197-T200 PolarHBondContact OG-N 3.33Å; S197-T200 PolarHBondContact OG-OG1 3.47Å; S197-V201 PolarHBondContact O-N 3.48Å
198	Q	93	Very high	96.3	Very high	89 Å²	89	58 Å²	58	42%	0.416	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-33.1	174.2	-169.1	-177.9	-26.9	0	0	112.8	F232	Q198-F232 HydrophobicContact CG-CD1 3.69Å; Q198-F232 HydrophobicContact CG-CE1 3.25Å; Q198-F232 HydrophobicContact CG-CZ 3.84Å
199	H	93.1	Very high	96	Very high	171 Å²	171	59.2 Å²	59.2	79%	0.792	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-24.8	180	-61.5	-70.3	0	0	0	113.3	S197	S197-H199 PolarHBondContact O-N 3.4Å; S197-H199 VanDerWaalsContact O-N 3.16Å; S197-H199 PolarHBondContact OG-N 2.79Å
200	T	96.1	Very high	95.7	Very high	49 Å²	49	55.2 Å²	55.2	30%	0.301	28%	0.275	S	S	.	.	S	Bend	trans	-106.6	15.5	-178.5	56.8	0	0	0	0	112.9	S197 L202 E203	S197-T200 PolarHBondContact N-OG1 3.08Å; S197-T200 CarbonylContact O-C 3.58Å; S197-T200 PolarHBondContact O-N 2.04Å; S197-T200 VanDerWaalsContact O-N 3.07Å; S197-T200 PolarHBondContact OG-N 3.33Å; S197-T200 PolarHBondContact OG-OG1 3.47Å; T200-L202 PolarHBondContact O-N 3.36Å; T200-E203 WeakPolarHBondContact CB-OE2 3.35Å; T200-E203 WeakPolarHBondContact O-CB 3.38Å; T200-E203 PolarHBondContact O-N 2.03Å
201	V	95.8	Very high	94.9	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.03	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.4	-179.4	72.5	0	0	0	0	114.3	S197 R228 F231 F232 L253	S197-V201 PolarHBondContact O-N 3.48Å; V201-R228 HydrophobicContact CG2-CB 3.8Å; V201-R228 HydrophobicContact CG2-CG 4.12Å; V201-R228 PolarHBondContact O-NH1 3.01Å; V201-F231 HydrophobicContact CB-CD2 4.46Å; V201-F231 HydrophobicContact CG2-CD2 3.9Å; V201-F232 HydrophobicContact CB-CE2 4.37Å; V201-F232 HydrophobicContact CG1-CE2 3.96Å; V201-F232 HydrophobicContact CG1-CZ 3.93Å; V201-F232 HydrophobicContact CG2-CE2 4.15Å; V201-L253 HydrophobicContact CG1-CD1 3.71Å
202	L	96.5	Very high	93.9	Very high	57 Å²	57	53.9 Å²	53.9	30%	0.298	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.4	177.8	-50.2	-177.9	0	0	0	113	T200 K252 L253 F256	T200-L202 PolarHBondContact O-N 3.36Å; L202-K252 HydrophobicContact CD1-CB 3.81Å; L202-L253 HydrophobicContact CD2-CB 4.37Å; L202-L253 HydrophobicContact CD2-CD1 3.66Å; L202-F256 HydrophobicContact CB-CD2 4.36Å; L202-F256 HydrophobicContact CD2-CB 3.64Å; L202-F256 HydrophobicContact CD2-CD1 4.42Å; L202-F256 HydrophobicContact CD2-CD2 4.01Å; L202-F256 HydrophobicContact CD2-CG 3.78Å
203	E	97.4	Very high	92.5	Very high	65 Å²	65	55.5 Å²	55.5	30%	0.304	29%	0.293	S	S	.	.			trans	-64.3	134.5	179	-168.9	178.8	157.4	0	0	109.8	K191 L196 T200 I205 R228	K191-E203 IonicContact NZ-OE1 2.73Å; K191-E203 PolarHBondContact NZ-OE1 3.33Å; L196-E203 HydrophobicContact CD2-CB 4.18Å; T200-E203 WeakPolarHBondContact CB-OE2 3.35Å; T200-E203 WeakPolarHBondContact O-CB 3.38Å; T200-E203 PolarHBondContact O-N 2.03Å; E203-I205 HydrophobicContact CG-CG2 4.23Å; E203-R228 PolarHBondContact O-NH1 2.85Å; E203-R228 PolarHBondContact O-NH2 3.26Å
204	I	98.4	Very high	90.8	Very high	61 Å²	61	66.5 Å²	66.5	31%	0.313	34%	0.335	S	S	.	.			trans	-92.7	121.4	174.6	-61.1	155.7	0	0	0	106.1	P174 Y177	P174-I204 HydrophobicContact CB-CG2 4.26Å; P174-I204 HydrophobicContact CG-CD1 4.23Å; P174-I204 WeakPolarHBondContact O-CD1 3.1Å; Y177-I204 HydrophobicContact CD2-CG2 3.91Å; Y177-I204 HydrophobicContact CE2-CG2 3.77Å
205	I	98.4	Very high	89.4	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.015	32%	0.321	C	S	.	.			trans	-115.1	163.4	-174.1	61.5	175.3	0	0	0	111.1	Q176 Y177 K191 V193 L196 E203	Q176-I205 HydrophobicContact CG-CG1 4.36Å; Y177-I205 PolarHBondContact N-O 2.82Å; K191-I205 HydrophobicContact CB-CB 4.18Å; K191-I205 HydrophobicContact CB-CD1 4.4Å; K191-I205 HydrophobicContact CB-CG2 4.14Å; K191-I205 HydrophobicContact CD-CG2 4.08Å; V193-I205 HydrophobicContact CG2-CD1 3.79Å; L196-I205 HydrophobicContact CD2-CG2 3.9Å; E203-I205 HydrophobicContact CG-CG2 4.23Å
206	C	98.6	Very high	87.5	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.4	162.3	-172.2	0	0	0	0	109.1	Y177 C182 M188 K191	Y177-C206 WeakPolarHBondContact O-CA 3.23Å; C182-C206 HydrophobicContact CB-CB 3.73Å; C182-C206 WeakPolarHBondContact CB-SG 3.36Å; C182-C206 WeakPolarHBondContact SG-CB 3.12Å; C182-C206 CovalentContact SG-SG 2.03Å; C182-C206 PolarHBondContact SG-SG 2.94Å; M188-C206 HydrophobicContact CB-CB 3.81Å; M188-C206 HydrophobicContact CE-CB 4.35Å; M188-C206 HydrophobicContact SD-CB 4.06Å; K191-C206 PolarHBondContact N-O 2.87Å
207	T	97.6	Very high	86	Confident	3 Å²	3	66.8 Å²	66.8	2%	0.018	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.9	-179.9	178.7	0	0	0	0	111.5	Q176 Y177 Y178 A179 K191 E209 Y210	Q176-T207 HydrophobicContact CG-CG2 4.39Å; Y177-T207 PolarHBondContact O-N 2.74Å; Y178-T207 HydrophobicContact CD1-CG2 3.57Å; Y178-T207 HydrophobicContact CE1-CG2 3.74Å; Y178-T207 HydrophobicContact CG-CG2 4.43Å; A179-T207 PolarHBondContact N-O 2.89Å; K191-T207 WeakPolarHBondContact O-CA 3.46Å; K191-T207 WeakPolarHBondContact O-CB 3.2Å; T207-E209 WeakPolarHBondContact OG1-CB 3.46Å; T207-E209 PolarHBondContact OG1-N 3.36Å; T207-E209 VanDerWaalsContact OG1-N 3.16Å; T207-Y210 HydrophobicContact CG2-CD2 3.88Å; T207-Y210 HydrophobicContact CG2-CE2 4.06Å
208	E	95.4	Very high	85.2	Confident	64 Å²	64	65.9 Å²	65.9	30%	0.299	35%	0.346	S	S	.	.			trans	-101.1	0.7	172.7	-64.4	174.2	-174.3	0	0	111.7	A179 C182 P190 Y210 S211	A179-E208 WeakPolarHBondContact O-CA 3.24Å; C182-E208 HydrophobicContact CB-CG 4.29Å; C182-E208 PolarHBondContact N-OE1 2.85Å; P190-E208 HydrophobicContact CB-CG 3.92Å; E208-Y210 PolarHBondContact O-N 3.32Å; E208-Y210 VanDerWaalsContact O-N 3.09Å; E208-S211 WeakPolarHBondContact O-CB 3.26Å; E208-S211 PolarHBondContact O-N 2.85Å; E208-S211 VanDerWaalsContact O-N 3.11Å; E208-S211 PolarHBondContact O-OG 3.2Å
209	E	92.9	Very high	85	Confident	78 Å²	78	64.2 Å²	64.2	36%	0.364	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.4	-177.9	-69.8	-172.1	152.1	0	0	112.6	S192 K194 T207	S192-E209 WeakPolarHBondContact CB-OE1 3.47Å; S192-E209 VanDerWaalsContact OG-CD 3.25Å; S192-E209 PolarHBondContact OG-OE1 2.87Å; S192-E209 PolarHBondContact OG-OE2 3.5Å; K194-E209 IonicContact NZ-OE1 3.61Å; T207-E209 WeakPolarHBondContact OG1-CB 3.46Å; T207-E209 PolarHBondContact OG1-N 3.36Å; T207-E209 VanDerWaalsContact OG1-N 3.16Å
210	Y	91.7	Very high	85	Confident	30 Å²	30	58.1 Å²	58.1	12%	0.118	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	15.4	-177.7	-53.9	-73.1	0	0	0	114.1	R156 Y178 T207 E208 I220 I221 H222 E224	R156-Y210 VanDerWaalsContact CZ-C 3.4Å; R156-Y210 PolarHBondContact NE-O 2.89Å; R156-Y210 VanDerWaalsContact NH2-C 3.34Å; R156-Y210 PolarHBondContact NH2-O 2.78Å; R156-Y210 VanDerWaalsContact NH2-O 3.09Å; Y178-Y210 AromaticContact CD1-CD2 3.69Å; Y178-Y210 HydrophobicContact CD1-CD2 3.69Å; Y178-Y210 HydrophobicContact CD1-CE2 4.39Å; Y178-Y210 HydrophobicContact CD1-CG 4.46Å; Y178-Y210 AromaticContact CE1-CD2 3.68Å; Y178-Y210 HydrophobicContact CE1-CD2 3.68Å; Y178-Y210 AromaticContact CE1-CE2 3.94Å; Y178-Y210 HydrophobicContact CE1-CE2 3.94Å; T207-Y210 HydrophobicContact CG2-CD2 3.88Å; T207-Y210 HydrophobicContact CG2-CE2 4.06Å; E208-Y210 PolarHBondContact O-N 3.32Å; E208-Y210 VanDerWaalsContact O-N 3.09Å; Y210-I220 WeakPolarHBondContact CD1-O 3.44Å; Y210-I221 HydrophobicContact CD2-CG2 4.34Å; Y210-I221 HydrophobicContact CG-CG1 4.42Å; Y210-I221 HydrophobicContact CG-CG2 4.27Å; Y210-H222 HydrophobicContact CE1-CB 4.31Å; Y210-H222 AromaticContact CE1-CD2 3.9Å; Y210-H222 WeakPolarHBondContact OH-CB 3.16Å; Y210-E224 VanDerWaalsContact CE2-OE1 3.27Å; Y210-E224 WeakPolarHBondContact CE2-OE1 3.33Å; Y210-E224 VanDerWaalsContact CZ-OE1 3.3Å; Y210-E224 PolarHBondContact OH-OE1 2.78Å
211	S	81.2	Confident	85	Confident	38 Å²	38	55.9 Å²	55.9	27%	0.266	30%	0.297	S	S	.	.			trans	-85.2	-34.7	178.8	62.8	0	0	0	0	113.2	E208 G213	E208-S211 WeakPolarHBondContact O-CB 3.26Å; E208-S211 PolarHBondContact O-N 2.85Å; E208-S211 VanDerWaalsContact O-N 3.11Å; E208-S211 PolarHBondContact O-OG 3.2Å; S211-G213 PolarHBondContact O-N 3.29Å
212	T	76	Confident	85.1	Confident	68 Å²	68	57.9 Å²	57.9	42%	0.417	31%	0.306	S	S	.	.			trans	-84	118.5	-166.5	62.8	0	0	0	0	114.7	R156 Y214	R156-T212 VanDerWaalsContact NH2-C 3.26Å; R156-T212 PolarHBondContact NH2-O 3.26Å; T212-Y214 VanDerWaalsContact C-N 3.26Å; T212-Y214 PolarHBondContact O-N 2.71Å
213	G	65.6	Low	85.2	Confident	44 Å²	44	55.3 Å²	55.3	45%	0.454	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-2.5	-178.5	0	0	0	0	0	116.7	S211 S218	S211-G213 PolarHBondContact O-N 3.29Å; G213-S218 WeakPolarHBondContact O-CB 3.46Å
214	Y	61.2	Low	85.2	Confident	233 Å²	233	52.5 Å²	52.5	91%	0.914	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	4	-171.1	-60.4	-75.6	0	0	0	115	T212	T212-Y214 VanDerWaalsContact C-N 3.26Å; T212-Y214 PolarHBondContact O-N 2.71Å
215	T	62.9	Low	85.1	Confident	64 Å²	64	49.6 Å²	49.6	39%	0.393	26%	0.264	S	S	.	.	S	Bend	trans	-94	159.5	-176.6	60.2	0	0	0	0	111.9	N217 S218	T215-N217 PolarHBondContact O-N 3.2Å; T215-N217 VanDerWaalsContact O-N 3.1Å; T215-S218 WeakPolarHBondContact O-CB 3.31Å; T215-S218 PolarHBondContact O-N 3.31Å; T215-S218 PolarHBondContact O-OG 2.81Å
216	T	55.1	Low	85	Confident	145 Å²	145	53.4 Å²	53.4	89%	0.89	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.1	177.2	55.2	0	0	0	0	113.5
217	N	63.3	Low	84.9	Confident	87 Å²	87	57 Å²	57	47%	0.465	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	30.8	176.1	-61.6	-9.7	0	0	0	111.5	R156 T215 K219 I220	R156-N217 PolarHBondContact NH1-O 2.97Å; T215-N217 PolarHBondContact O-N 3.2Å; T215-N217 VanDerWaalsContact O-N 3.1Å; N217-K219 PolarHBondContact O-N 3.27Å; N217-I220 HydrophobicContact CB-CD1 4.47Å; N217-I220 PolarHBondContact O-N 3.04Å
218	S	78.3	Confident	84.9	Confident	29 Å²	29	56.9 Å²	56.9	20%	0.203	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-12.1	-171.7	55.2	0	0	0	0	115.9	R156 G213 T215	R156-S218 WeakPolarHBondContact CD-O 3.47Å; R156-S218 PolarHBondContact NE-O 3.06Å; G213-S218 WeakPolarHBondContact O-CB 3.46Å; T215-S218 WeakPolarHBondContact O-CB 3.31Å; T215-S218 PolarHBondContact O-N 3.31Å; T215-S218 PolarHBondContact O-OG 2.81Å
219	K	89.5	Confident	84.9	Confident	55 Å²	55	54.9 Å²	54.9	24%	0.239	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-4.9	-179.1	-71.5	-168.5	-177.1	-149.7	0	114.2	F152 E153 N217	F152-K219 WeakPolarHBondContact CB-O 3.33Å; F152-K219 PolarHBondContact N-O 2.98Å; F152-K219 VanDerWaalsContact O-CB 3.3Å; F152-K219 WeakPolarHBondContact O-CB 3.46Å; F152-K219 WeakPolarHBondContact O-CD 3.06Å; E153-K219 PolarHBondContact O-NZ 2.96Å; E153-K219 IonicContact OE1-NZ 2.71Å; E153-K219 PolarHBondContact OE1-NZ 3.26Å; N217-K219 PolarHBondContact O-N 3.27Å
220	I	93.6	Very high	85.1	Confident	42 Å²	42	52.3 Å²	52.3	22%	0.215	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.4	-171.1	-55.8	169.3	0	0	0	110.7	V149 T151 R156 Y210 N217 H222	V149-I220 HydrophobicContact CG1-CG2 3.51Å; T151-I220 HydrophobicContact CG2-CG1 4.11Å; R156-I220 WeakPolarHBondContact CD-O 3.42Å; R156-I220 PolarHBondContact NH1-O 3.01Å; R156-I220 VanDerWaalsContact NH1-O 3.11Å; Y210-I220 WeakPolarHBondContact CD1-O 3.44Å; N217-I220 HydrophobicContact CB-CD1 4.47Å; N217-I220 PolarHBondContact O-N 3.04Å; I220-H222 WeakPolarHBondContact CG2-NE2 3.5Å
221	I	96.5	Very high	85.3	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.6	166.8	-60.8	-173.5	0	0	0	109	I150 F152 R156 M160 Y178 Y210	I150-I221 PolarHBondContact N-O 3.26Å; I150-I221 PolarHBondContact O-N 3.38Å; F152-I221 HydrophobicContact CD2-CD1 4.41Å; F152-I221 HydrophobicContact CD2-CG1 4.37Å; F152-I221 HydrophobicContact CE2-CB 4.48Å; F152-I221 HydrophobicContact CE2-CD1 3.67Å; F152-I221 HydrophobicContact CE2-CG1 3.97Å; F152-I221 HydrophobicContact CZ-CD1 4.31Å; R156-I221 HydrophobicContact CB-CD1 4.27Å; R156-I221 HydrophobicContact CB-CG1 4.48Å; R156-I221 HydrophobicContact CG-CD1 4.32Å; R156-I221 HydrophobicContact CG-CG1 4.04Å; M160-I221 HydrophobicContact CE-CD1 3.67Å; M160-I221 HydrophobicContact CE-CG2 3.86Å; M160-I221 HydrophobicContact SD-CD1 4.1Å; Y178-I221 HydrophobicContact CD1-CG2 3.72Å; Y178-I221 HydrophobicContact CE1-CG2 3.37Å; Y178-I221 HydrophobicContact CE2-CG2 4.42Å; Y178-I221 HydrophobicContact CG-CG2 4.37Å; Y210-I221 HydrophobicContact CD2-CG2 4.34Å; Y210-I221 HydrophobicContact CG-CG1 4.42Å; Y210-I221 HydrophobicContact CG-CG2 4.27Å
222	H	96.6	Very high	86	Confident	47 Å²	47	52.3 Å²	52.3	22%	0.218	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	151.5	172.6	-58.6	-80.7	0	0	0	112.2	I148 Y178 Y210 I220	I148-H222 WeakPolarHBondContact O-CA 3.27Å; Y178-H222 WeakPolarHBondContact CE1-O 3.11Å; Y178-H222 PolarHBondContact OH-O 3.14Å; Y210-H222 HydrophobicContact CE1-CB 4.31Å; Y210-H222 AromaticContact CE1-CD2 3.9Å; Y210-H222 WeakPolarHBondContact OH-CB 3.16Å; I220-H222 WeakPolarHBondContact CG2-NE2 3.5Å
223	F	98.3	Very high	86.8	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.7	157.2	177.5	-105.5	0	0	0	108.5	N147 I148 L162 Y175 Q176 I225 F256	N147-F223 VanDerWaalsContact CA-O 3.28Å; N147-F223 WeakPolarHBondContact CA-O 3.48Å; N147-F223 WeakPolarHBondContact CB-O 3.35Å; I148-F223 HydrophobicContact CB-CB 4.04Å; I148-F223 HydrophobicContact CD1-CB 4.47Å; I148-F223 HydrophobicContact CD1-CD1 3.86Å; I148-F223 HydrophobicContact CD1-CG 4.46Å; I148-F223 HydrophobicContact CG1-CD1 4.37Å; I148-F223 PolarHBondContact N-O 3.16Å; I148-F223 PolarHBondContact O-N 2.91Å; L162-F223 HydrophobicContact CD2-CB 3.88Å; L162-F223 HydrophobicContact CD2-CD1 4.44Å; L162-F223 HydrophobicContact CD2-CD2 4.08Å; L162-F223 HydrophobicContact CD2-CG 3.87Å; Y175-F223 HydrophobicContact CD1-CE1 4.13Å; Y175-F223 HydrophobicContact CD1-CZ 4.13Å; Y175-F223 HydrophobicContact CD2-CE1 4.07Å; Y175-F223 AromaticContact CD2-CE2 3.81Å; Y175-F223 HydrophobicContact CD2-CE2 3.81Å; Y175-F223 AromaticContact CD2-CZ 3.34Å; Y175-F223 HydrophobicContact CD2-CZ 3.34Å; Y175-F223 HydrophobicContact CE1-CD1 4.3Å; Y175-F223 AromaticContact CE1-CE1 3.64Å; Y175-F223 HydrophobicContact CE1-CE1 3.64Å; Y175-F223 AromaticContact CE1-CZ 3.94Å; Y175-F223 HydrophobicContact CE1-CZ 3.94Å; Y175-F223 AromaticContact CE2-CE1 3.63Å; Y175-F223 HydrophobicContact CE2-CE1 3.63Å; Y175-F223 HydrophobicContact CE2-CE2 4.11Å; Y175-F223 AromaticContact CE2-CZ 3.17Å; Y175-F223 HydrophobicContact CE2-CZ 3.17Å; Y175-F223 HydrophobicContact CG-CE1 4.33Å; Y175-F223 HydrophobicContact CG-CE2 4.08Å; Y175-F223 AromaticContact CG-CZ 3.85Å; Y175-F223 HydrophobicContact CG-CZ 3.85Å; Y175-F223 AromaticContact CZ-CE1 3.34Å; Y175-F223 AromaticContact CZ-CZ 3.46Å; Y175-F223 VanDerWaalsContact CZ-CZ 3.46Å; Q176-F223 HydrophobicContact CB-CD2 3.82Å; Q176-F223 HydrophobicContact CB-CE2 3.98Å; Q176-F223 HydrophobicContact CG-CD2 4.47Å; F223-I225 HydrophobicContact CD1-CD1 3.66Å; F223-I225 HydrophobicContact CD1-CG1 3.56Å; F223-I225 HydrophobicContact CE1-CD1 3.81Å; F223-I225 HydrophobicContact CE1-CG1 3.45Å; F223-I225 VanDerWaalsContact CE1-CG1 3.45Å; F223-I225 PolarHBondContact O-N 3.37Å; F223-F256 HydrophobicContact CZ-CE1 4.13Å; F223-F256 HydrophobicContact CZ-CZ 4.12Å
224	E	97.6	Very high	88.1	Confident	7 Å²	7	48.3 Å²	48.3	3%	0.033	25%	0.249	C	C	.	.			trans	-87.8	68.4	-157.4	-55.7	83.8	172.7	0	0	113.3	Q176 V193 Y210 D227 R228	Q176-E224 PolarHBondContact NE2-OE2 3.48Å; V193-E224 HydrophobicContact CB-CB 4.2Å; V193-E224 HydrophobicContact CB-CG 4.47Å; V193-E224 HydrophobicContact CG1-CB 4.17Å; V193-E224 HydrophobicContact CG2-CB 4.01Å; V193-E224 HydrophobicContact CG2-CG 4.25Å; V193-E224 WeakPolarHBondContact CG2-OE2 3.49Å; Y210-E224 VanDerWaalsContact CE2-OE1 3.27Å; Y210-E224 WeakPolarHBondContact CE2-OE1 3.33Å; Y210-E224 VanDerWaalsContact CZ-OE1 3.3Å; Y210-E224 PolarHBondContact OH-OE1 2.78Å; E224-D227 HydrophobicContact CB-CB 3.98Å; E224-D227 WeakPolarHBondContact CB-OD2 2.99Å; E224-R228 WeakPolarHBondContact O-CG 3.42Å; E224-R228 PolarHBondContact O-N 2.79Å; E224-R228 VanDerWaalsContact O-N 3.13Å
225	I	97.3	Very high	89.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.4	-42.8	178.4	-72.9	160.5	0	0	0	112.1	L144 D146 N147 I148 F223 D227 R228 F229 F257	L144-I225 HydrophobicContact CB-CD1 3.72Å; L144-I225 HydrophobicContact CD1-CD1 3.74Å; L144-I225 HydrophobicContact CG-CD1 4.3Å; D146-I225 WeakPolarHBondContact O-CD1 3.41Å; N147-I225 PolarHBondContact OD1-N 3.37Å; I148-I225 HydrophobicContact CD1-CD1 4.39Å; I148-I225 HydrophobicContact CG1-CD1 4.12Å; F223-I225 HydrophobicContact CD1-CD1 3.66Å; F223-I225 HydrophobicContact CD1-CG1 3.56Å; F223-I225 HydrophobicContact CE1-CD1 3.81Å; F223-I225 HydrophobicContact CE1-CG1 3.45Å; F223-I225 VanDerWaalsContact CE1-CG1 3.45Å; F223-I225 PolarHBondContact O-N 3.37Å; I225-D227 VanDerWaalsContact C-N 3.35Å; I225-D227 PolarHBondContact O-N 2.71Å; I225-R228 PolarHBondContact O-N 2.87Å; I225-F229 HydrophobicContact CG2-CD2 3.92Å; I225-F229 HydrophobicContact CG2-CE1 4.5Å; I225-F229 HydrophobicContact CG2-CE2 3.41Å; I225-F229 VanDerWaalsContact CG2-CE2 3.41Å; I225-F229 HydrophobicContact CG2-CZ 3.74Å; I225-F229 WeakPolarHBondContact O-CG 3.4Å; I225-F229 PolarHBondContact O-N 2.99Å; I225-F257 HydrophobicContact CB-CE1 4.49Å; I225-F257 HydrophobicContact CG1-CD1 4.27Å; I225-F257 HydrophobicContact CG1-CE1 4.35Å; I225-F257 HydrophobicContact CG2-CD1 3.97Å; I225-F257 HydrophobicContact CG2-CE1 4.01Å
226	K	95.9	Very high	90.8	Very high	82 Å²	82	49.2 Å²	49.2	36%	0.357	26%	0.261	S	S	.	.	H	α-helix	trans	-67.9	-35.6	-179.2	-74.2	179.3	66.9	175.7	0	112.4	D146 N147 R228 F229 A230 L237	D146-K226 WeakPolarHBondContact OD1-CD 3.14Å; N147-K226 PolarHBondContact OD1-N 3.04Å; K226-R228 VanDerWaalsContact C-N 3.33Å; K226-F229 PolarHBondContact O-N 3.39Å; K226-A230 WeakPolarHBondContact O-CB 3.45Å; K226-A230 PolarHBondContact O-N 3.46Å; K226-L237 HydrophobicContact CB-CD1 4.43Å; K226-L237 HydrophobicContact CG-CD1 4.28Å
227	D	96.5	Very high	92.5	Very high	76 Å²	76	44.7 Å²	44.7	41%	0.406	23%	0.23	S	C	.	.	H	α-helix	trans	-68.2	-37.4	174.5	-61.1	-49.4	0	0	0	110.6	V193 E224 I225 F229 A230	V193-D227 HydrophobicContact CG1-CB 3.89Å; E224-D227 HydrophobicContact CB-CB 3.98Å; E224-D227 WeakPolarHBondContact CB-OD2 2.99Å; I225-D227 VanDerWaalsContact C-N 3.35Å; I225-D227 PolarHBondContact O-N 2.71Å; D227-F229 PolarHBondContact O-N 3.27Å; D227-A230 WeakPolarHBondContact O-CB 3.19Å; D227-A230 PolarHBondContact O-N 3.4Å; D227-A230 VanDerWaalsContact O-N 3.15Å
228	R	97.3	Very high	93.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-37.7	171.8	-69.7	178.9	-171	-99.4	1.5	112.8	V193 V201 E203 E224 I225 K226 A230 F257	V193-R228 HydrophobicContact CG1-CG 3.97Å; V201-R228 HydrophobicContact CG2-CB 3.8Å; V201-R228 HydrophobicContact CG2-CG 4.12Å; V201-R228 PolarHBondContact O-NH1 3.01Å; E203-R228 PolarHBondContact O-NH1 2.85Å; E203-R228 PolarHBondContact O-NH2 3.26Å; E224-R228 WeakPolarHBondContact O-CG 3.42Å; E224-R228 PolarHBondContact O-N 2.79Å; E224-R228 VanDerWaalsContact O-N 3.13Å; I225-R228 PolarHBondContact O-N 2.87Å; K226-R228 VanDerWaalsContact C-N 3.33Å; R228-A230 VanDerWaalsContact C-N 3.32Å; R228-F257 HydrophobicContact CB-CE1 4.18Å; R228-F257 HydrophobicContact CB-CZ 3.98Å
229	F	96.2	Very high	94.3	Very high	22 Å²	22	52.6 Å²	52.6	10%	0.096	26%	0.256	C	S	.	.	H	α-helix	trans	-66.7	-33.4	171.6	-69.6	-30	0	0	0	112.8	I225 K226 D227 F231 F232 A233 L237 L243 F257	I225-F229 HydrophobicContact CG2-CD2 3.92Å; I225-F229 HydrophobicContact CG2-CE1 4.5Å; I225-F229 HydrophobicContact CG2-CE2 3.41Å; I225-F229 VanDerWaalsContact CG2-CE2 3.41Å; I225-F229 HydrophobicContact CG2-CZ 3.74Å; I225-F229 WeakPolarHBondContact O-CG 3.4Å; I225-F229 PolarHBondContact O-N 2.99Å; K226-F229 PolarHBondContact O-N 3.39Å; D227-F229 PolarHBondContact O-N 3.27Å; F229-F231 PolarHBondContact O-N 3.49Å; F229-F232 PolarHBondContact O-N 2.91Å; F229-A233 WeakPolarHBondContact O-CB 3.23Å; F229-A233 PolarHBondContact O-N 2.96Å; F229-L237 HydrophobicContact CB-CD2 3.85Å; F229-L243 HydrophobicContact CB-CD2 4.04Å; F229-L243 HydrophobicContact CD1-CD1 3.82Å; F229-L243 HydrophobicContact CD1-CD2 3.93Å; F229-L243 HydrophobicContact CE1-CD1 4.46Å; F229-L243 HydrophobicContact CG-CD2 3.97Å; F229-F257 HydrophobicContact CD1-CE1 4.22Å; F229-F257 AromaticContact CD1-CE2 3.98Å; F229-F257 HydrophobicContact CD1-CE2 3.98Å; F229-F257 AromaticContact CD1-CZ 3.78Å; F229-F257 HydrophobicContact CD1-CZ 3.78Å; F229-F257 AromaticContact CE1-CD1 3.9Å; F229-F257 HydrophobicContact CE1-CD1 3.9Å; F229-F257 AromaticContact CE1-CD2 3.63Å; F229-F257 HydrophobicContact CE1-CD2 3.63Å; F229-F257 AromaticContact CE1-CE1 3.75Å; F229-F257 HydrophobicContact CE1-CE1 3.75Å; F229-F257 AromaticContact CE1-CE2 3.47Å; F229-F257 HydrophobicContact CE1-CE2 3.47Å; F229-F257 VanDerWaalsContact CE1-CE2 3.47Å; F229-F257 AromaticContact CE1-CG 3.84Å; F229-F257 HydrophobicContact CE1-CG 3.84Å; F229-F257 AromaticContact CE1-CZ 3.53Å; F229-F257 HydrophobicContact CE1-CZ 3.53Å; F229-F257 HydrophobicContact CZ-CD1 4.02Å; F229-F257 HydrophobicContact CZ-CD2 4.3Å; F229-F257 HydrophobicContact CZ-CE1 4.19Å; F229-F257 HydrophobicContact CZ-CE2 4.46Å; F229-F257 HydrophobicContact CZ-CG 4.07Å; F229-F257 HydrophobicContact CZ-CZ 4.41Å
230	A	96.3	Very high	94.3	Very high	24 Å²	24	52.3 Å²	52.3	20%	0.198	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-25.4	-178.5	0	0	0	0	0	113.1	K226 D227 R228 F232 G234 L237	K226-A230 WeakPolarHBondContact O-CB 3.45Å; K226-A230 PolarHBondContact O-N 3.46Å; D227-A230 WeakPolarHBondContact O-CB 3.19Å; D227-A230 PolarHBondContact O-N 3.4Å; D227-A230 VanDerWaalsContact O-N 3.15Å; R228-A230 VanDerWaalsContact C-N 3.32Å; A230-F232 PolarHBondContact O-N 3.28Å; A230-G234 CarbonylContact O-C 3.57Å; A230-G234 WeakPolarHBondContact O-CA 3.03Å; A230-G234 PolarHBondContact O-N 3.07Å; A230-L237 HydrophobicContact CB-CD2 4.34Å
231	F	96	Very high	94.1	Very high	56 Å²	56	52.4 Å²	52.4	25%	0.246	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-26.7	172.6	-71.4	-62.6	0	0	0	113.7	V193 L196 V201 F229	V193-F231 HydrophobicContact CG1-CE2 4.34Å; V193-F231 WeakPolarHBondContact O-CZ 3.35Å; L196-F231 HydrophobicContact CB-CE2 4.01Å; L196-F231 HydrophobicContact CB-CZ 3.77Å; L196-F231 WeakPolarHBondContact O-CE1 3.37Å; L196-F231 VanDerWaalsContact O-CZ 3.3Å; L196-F231 WeakPolarHBondContact O-CZ 3.29Å; V201-F231 HydrophobicContact CB-CD2 4.46Å; V201-F231 HydrophobicContact CG2-CD2 3.9Å; F229-F231 PolarHBondContact O-N 3.49Å
232	F	95.5	Very high	93.9	Very high	12 Å²	12	54.3 Å²	54.3	5%	0.053	28%	0.277	C	S	.	.	H	α-helix	trans	-106.7	-40	177.7	-56.3	-77.1	0	0	0	112.2	Q198 V201 F229 A230 S242 L243 Q246 L253	Q198-F232 HydrophobicContact CG-CD1 3.69Å; Q198-F232 HydrophobicContact CG-CE1 3.25Å; Q198-F232 HydrophobicContact CG-CZ 3.84Å; V201-F232 HydrophobicContact CB-CE2 4.37Å; V201-F232 HydrophobicContact CG1-CE2 3.96Å; V201-F232 HydrophobicContact CG1-CZ 3.93Å; V201-F232 HydrophobicContact CG2-CE2 4.15Å; F229-F232 PolarHBondContact O-N 2.91Å; A230-F232 PolarHBondContact O-N 3.28Å; F232-S242 WeakPolarHBondContact O-CB 3.42Å; F232-S242 PolarHBondContact O-OG 3.29Å; F232-L243 HydrophobicContact CB-CB 4.03Å; F232-L243 HydrophobicContact CB-CD1 4.06Å; F232-L243 HydrophobicContact CD2-CD1 3.96Å; F232-L243 HydrophobicContact CG-CD1 4.31Å; F232-Q246 HydrophobicContact CD1-CB 4.11Å; F232-Q246 HydrophobicContact CD1-CG 3.59Å; F232-Q246 HydrophobicContact CE1-CB 4.13Å; F232-Q246 HydrophobicContact CE1-CG 3.75Å; F232-Q246 HydrophobicContact CG-CG 4.39Å; F232-L253 HydrophobicContact CD2-CD2 4.46Å; F232-L253 HydrophobicContact CE2-CD1 3.98Å; F232-L253 HydrophobicContact CE2-CD2 3.82Å; F232-L253 HydrophobicContact CZ-CD1 4.35Å; F232-L253 HydrophobicContact CZ-CD2 3.87Å
233	A	94.2	Very high	93.8	Very high	2 Å²	2	52.5 Å²	52.5	2%	0.017	27%	0.269	C	S	.	.	H	α-helix	trans	-91.2	-7.8	-172.5	0	0	0	0	0	115.1	F229 L237 R238 N239 M240 L243	F229-A233 WeakPolarHBondContact O-CB 3.23Å; F229-A233 PolarHBondContact O-N 2.96Å; A233-L237 HydrophobicContact CB-CB 4.49Å; A233-L237 HydrophobicContact CB-CD2 3.71Å; A233-R238 PolarHBondContact O-N 2.95Å; A233-N239 WeakPolarHBondContact CA-O 3.25Å; A233-N239 WeakPolarHBondContact O-CB 3.5Å; A233-N239 PolarHBondContact O-N 3.14Å; A233-M240 HydrophobicContact CB-CE 3.14Å; A233-L243 HydrophobicContact CB-CB 4.2Å; A233-L243 HydrophobicContact CB-CD2 4.39Å
234	G	93	Very high	93.5	Very high	26 Å²	26	53.6 Å²	53.6	27%	0.268	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	167.5	-170.1	0	0	0	0	0	113.2	A230 R236 L237	A230-G234 CarbonylContact O-C 3.57Å; A230-G234 WeakPolarHBondContact O-CA 3.03Å; A230-G234 PolarHBondContact O-N 3.07Å; G234-R236 PolarHBondContact O-N 3.37Å; G234-R236 VanDerWaalsContact O-N 3.14Å; G234-L237 PolarHBondContact O-N 3.16Å
235	P	90.6	Very high	93.3	Very high	128 Å²	128	54 Å²	54	83%	0.831	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.8	-171	24.4	-35.3	0	0	0	114.4
236	R	89.9	Confident	93.1	Very high	189 Å²	189	57.1 Å²	57.1	71%	0.713	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	6.7	176	-64	-175.9	-178.5	171.1	-0.1	113.3	G234 R238	G234-R236 PolarHBondContact O-N 3.37Å; G234-R236 VanDerWaalsContact O-N 3.14Å; R236-R238 HydrophobicContact CB-CG 3.98Å; R236-R238 PolarHBondContact O-N 3.03Å; R236-R238 VanDerWaalsContact O-N 3.16Å
237	L	90.6	Very high	93	Very high	49 Å²	49	54 Å²	54	26%	0.257	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	37.6	-175.9	-58.3	177.5	0	0	0	113.4	K226 F229 A230 A233 G234 M240	K226-L237 HydrophobicContact CB-CD1 4.43Å; K226-L237 HydrophobicContact CG-CD1 4.28Å; F229-L237 HydrophobicContact CB-CD2 3.85Å; A230-L237 HydrophobicContact CB-CD2 4.34Å; A233-L237 HydrophobicContact CB-CB 4.49Å; A233-L237 HydrophobicContact CB-CD2 3.71Å; G234-L237 PolarHBondContact O-N 3.16Å; L237-M240 HydrophobicContact CB-CE 3.9Å; L237-M240 HydrophobicContact CD2-CE 4.37Å; L237-M240 WeakPolarHBondContact O-CE 3.12Å
238	R	88.8	Confident	92.7	Very high	195 Å²	195	52.1 Å²	52.1	74%	0.736	27%	0.27	S	S	*	.			trans	-89.4	-31.9	-179	-69.8	-177.1	179.3	-173.3	-4.1	112.7	A233 R236 M240	A233-R238 PolarHBondContact O-N 2.95Å; R236-R238 HydrophobicContact CB-CG 3.98Å; R236-R238 PolarHBondContact O-N 3.03Å; R236-R238 VanDerWaalsContact O-N 3.16Å; R238-M240 PolarHBondContact O-N 2.97Å
239	N	89.9	Confident	92.3	Very high	87 Å²	87	57.1 Å²	57.1	47%	0.465	30%	0.301	S	S	.	.			trans	-85.7	57.8	-179	-169.6	6.7	0	0	0	111.3	A233 A241 S242	A233-N239 WeakPolarHBondContact CA-O 3.25Å; A233-N239 WeakPolarHBondContact O-CB 3.5Å; A233-N239 PolarHBondContact O-N 3.14Å; N239-A241 PolarHBondContact O-N 3.32Å; N239-S242 PolarHBondContact O-N 2.85Å; N239-S242 PolarHBondContact OD1-N 2.86Å
240	M	89.5	Confident	92.2	Very high	49 Å²	49	58.6 Å²	58.6	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-26.8	-179.7	-67.1	-73.1	86.6	0	0	112.8	A233 L237 R238 S242 L243 Y244	A233-M240 HydrophobicContact CB-CE 3.14Å; L237-M240 HydrophobicContact CB-CE 3.9Å; L237-M240 HydrophobicContact CD2-CE 4.37Å; L237-M240 WeakPolarHBondContact O-CE 3.12Å; R238-M240 PolarHBondContact O-N 2.97Å; M240-S242 VanDerWaalsContact C-N 3.33Å; M240-S242 PolarHBondContact O-N 2.92Å; M240-L243 HydrophobicContact CE-CB 4.48Å; M240-L243 HydrophobicContact CE-CD2 3.83Å; M240-L243 PolarHBondContact O-N 2.92Å; M240-L243 HydrophobicContact SD-CD2 4.42Å; M240-Y244 HydrophobicContact CB-CD2 4.09Å; M240-Y244 HydrophobicContact CB-CE2 3.74Å; M240-Y244 WeakPolarHBondContact O-CB 3.15Å; M240-Y244 VanDerWaalsContact O-CD2 3.25Å; M240-Y244 WeakPolarHBondContact O-CD2 3.47Å; M240-Y244 VanDerWaalsContact O-CG 3.28Å; M240-Y244 PolarHBondContact O-N 3.22Å
241	A	90.1	Very high	92.1	Very high	45 Å²	45	63.7 Å²	63.7	37%	0.372	33%	0.329	S	S	.	.	H	α-helix	trans	-58.1	-43.9	177.5	0	0	0	0	0	112.9	N239 G245 I346	N239-A241 PolarHBondContact O-N 3.32Å; A241-G245 PolarHBondContact O-N 2.81Å; A241-I346 VanDerWaalsContact CA-CD1 3.48Å; A241-I346 HydrophobicContact CB-CD1 3.28Å
242	S	92.1	Very high	92	Very high	43 Å²	43	68.7 Å²	68.7	30%	0.301	35%	0.351	S	S	.	.	H	α-helix	trans	-62.3	-48.4	176.2	175.8	0	0	0	0	111.7	F232 N239 M240 G245 Q246	F232-S242 WeakPolarHBondContact O-CB 3.42Å; F232-S242 PolarHBondContact O-OG 3.29Å; N239-S242 PolarHBondContact O-N 2.85Å; N239-S242 PolarHBondContact OD1-N 2.86Å; M240-S242 VanDerWaalsContact C-N 3.33Å; M240-S242 PolarHBondContact O-N 2.92Å; S242-G245 PolarHBondContact O-N 3.44Å; S242-Q246 WeakPolarHBondContact O-CG 3.14Å; S242-Q246 PolarHBondContact O-N 2.73Å; S242-Q246 VanDerWaalsContact O-N 3.14Å
243	L	93.7	Very high	92	Very high	8 Å²	8	68.3 Å²	68.3	4%	0.042	35%	0.35	C	S	.	.	H	α-helix	trans	-61.2	-47.3	178	176.3	62.2	0	0	0	111.9	F229 F232 A233 M240 G245 Q246 L247	F229-L243 HydrophobicContact CB-CD2 4.04Å; F229-L243 HydrophobicContact CD1-CD1 3.82Å; F229-L243 HydrophobicContact CD1-CD2 3.93Å; F229-L243 HydrophobicContact CE1-CD1 4.46Å; F229-L243 HydrophobicContact CG-CD2 3.97Å; F232-L243 HydrophobicContact CB-CB 4.03Å; F232-L243 HydrophobicContact CB-CD1 4.06Å; F232-L243 HydrophobicContact CD2-CD1 3.96Å; F232-L243 HydrophobicContact CG-CD1 4.31Å; A233-L243 HydrophobicContact CB-CB 4.2Å; A233-L243 HydrophobicContact CB-CD2 4.39Å; M240-L243 HydrophobicContact CE-CB 4.48Å; M240-L243 HydrophobicContact CE-CD2 3.83Å; M240-L243 PolarHBondContact O-N 2.92Å; M240-L243 HydrophobicContact SD-CD2 4.42Å; L243-G245 PolarHBondContact O-N 2.04Å; L243-Q246 PolarHBondContact O-N 2.9Å; L243-L247 HydrophobicContact CD1-CD1 4.02Å; L243-L247 HydrophobicContact CD1-CG 4.12Å; L243-L247 HydrophobicContact CG-CD1 3.86Å; L243-L247 HydrophobicContact CG-CG 4.38Å; L243-L247 WeakPolarHBondContact O-CG 3.22Å; L243-L247 PolarHBondContact O-N 2.88Å
244	Y	92.9	Very high	92	Very high	26 Å²	26	70.7 Å²	70.7	10%	0.102	36%	0.358	C	S	.	.	H	α-helix	trans	-61.6	-42.3	179	-71.8	-32.1	0	0	0	112.5	Y30 M240 Q246 L247 D248 Y343	Y30-Y244 HydrophobicContact CE2-CD2 4.45Å; Y30-Y244 HydrophobicContact CE2-CE2 4.01Å; M240-Y244 HydrophobicContact CB-CD2 4.09Å; M240-Y244 HydrophobicContact CB-CE2 3.74Å; M240-Y244 WeakPolarHBondContact O-CB 3.15Å; M240-Y244 VanDerWaalsContact O-CD2 3.25Å; M240-Y244 WeakPolarHBondContact O-CD2 3.47Å; M240-Y244 VanDerWaalsContact O-CG 3.28Å; M240-Y244 PolarHBondContact O-N 3.22Å; Y244-Q246 VanDerWaalsContact C-N 3.29Å; Y244-Q246 PolarHBondContact O-N 2.83Å; Y244-L247 HydrophobicContact CD1-CD1 4.43Å; Y244-L247 PolarHBondContact O-N 2.82Å; Y244-D248 PolarHBondContact O-N 2.82Å; Y244-Y343 AromaticContact CD1-CD1 3.92Å; Y244-Y343 HydrophobicContact CD1-CD1 3.92Å; Y244-Y343 AromaticContact CD1-CD2 3.74Å; Y244-Y343 HydrophobicContact CD1-CD2 3.74Å; Y244-Y343 HydrophobicContact CD1-CE1 4.05Å; Y244-Y343 AromaticContact CD1-CE2 3.93Å; Y244-Y343 HydrophobicContact CD1-CE2 3.93Å; Y244-Y343 AromaticContact CD1-CG 3.74Å; Y244-Y343 HydrophobicContact CD1-CG 3.74Å; Y244-Y343 HydrophobicContact CD2-CG 4.46Å; Y244-Y343 HydrophobicContact CE1-CD1 4.15Å; Y244-Y343 AromaticContact CE1-CE1 3.99Å; Y244-Y343 HydrophobicContact CE1-CE1 3.99Å; Y244-Y343 HydrophobicContact CE1-CE2 4.49Å; Y244-Y343 HydrophobicContact CE1-CG 4.43Å; Y244-Y343 HydrophobicContact CG-CD1 4.17Å; Y244-Y343 HydrophobicContact CG-CD2 4.06Å; Y244-Y343 AromaticContact CG-CG 3.78Å; Y244-Y343 HydrophobicContact CG-CG 3.78Å
245	G	92.9	Very high	92.2	Very high	14 Å²	14	70.8 Å²	70.8	14%	0.144	35%	0.352	C	S	.	.	H	α-helix	trans	-60	-38.6	174.7	0	0	0	0	0	112.9	A241 S242 L243 T249	A241-G245 PolarHBondContact O-N 2.81Å; S242-G245 PolarHBondContact O-N 3.44Å; L243-G245 PolarHBondContact O-N 2.04Å; G245-T249 WeakPolarHBondContact O-CB 3Å; G245-T249 WeakPolarHBondContact O-CG2 3.03Å; G245-T249 PolarHBondContact O-N 2.87Å; G245-T249 PolarHBondContact O-OG1 2.82Å
246	Q	94.1	Very high	92.5	Very high	67 Å²	67	65.5 Å²	65.5	31%	0.313	32%	0.316	S	S	.	.	H	α-helix	trans	-72.3	-37.4	177.1	-66.7	-67.4	-42.8	0	0	112.5	F232 S242 L243 Y244 T249 T250 L253	F232-Q246 HydrophobicContact CD1-CB 4.11Å; F232-Q246 HydrophobicContact CD1-CG 3.59Å; F232-Q246 HydrophobicContact CE1-CB 4.13Å; F232-Q246 HydrophobicContact CE1-CG 3.75Å; F232-Q246 HydrophobicContact CG-CG 4.39Å; S242-Q246 WeakPolarHBondContact O-CG 3.14Å; S242-Q246 PolarHBondContact O-N 2.73Å; S242-Q246 VanDerWaalsContact O-N 3.14Å; L243-Q246 PolarHBondContact O-N 2.9Å; Y244-Q246 VanDerWaalsContact C-N 3.29Å; Y244-Q246 PolarHBondContact O-N 2.83Å; Q246-T249 PolarHBondContact O-OG1 2.8Å; Q246-T250 VanDerWaalsContact O-CB 3.23Å; Q246-T250 WeakPolarHBondContact O-CB 3.41Å; Q246-T250 PolarHBondContact O-N 3.35Å; Q246-T250 PolarHBondContact O-OG1 2.93Å; Q246-L253 HydrophobicContact CB-CD2 3.79Å
247	L	93.3	Very high	92.9	Very high	17 Å²	17	56.9 Å²	56.9	9%	0.089	28%	0.284	C	S	.	.	H	α-helix	trans	-67.4	-34.2	176.3	-72.6	170.9	0	0	0	113	L243 Y244 L253 R254 F257 Y343	L243-L247 HydrophobicContact CD1-CD1 4.02Å; L243-L247 HydrophobicContact CD1-CG 4.12Å; L243-L247 HydrophobicContact CG-CD1 3.86Å; L243-L247 HydrophobicContact CG-CG 4.38Å; L243-L247 WeakPolarHBondContact O-CG 3.22Å; L243-L247 PolarHBondContact O-N 2.88Å; Y244-L247 HydrophobicContact CD1-CD1 4.43Å; Y244-L247 PolarHBondContact O-N 2.82Å; L247-L253 HydrophobicContact CD2-CD2 4.2Å; L247-L253 HydrophobicContact CD2-CG 4.02Å; L247-R254 HydrophobicContact CD2-CB 4.29Å; L247-F257 HydrophobicContact CD2-CD2 4.46Å; L247-Y343 HydrophobicContact CB-CE2 4.42Å
248	D	89.8	Confident	93.2	Very high	36 Å²	36	54.6 Å²	54.6	19%	0.193	27%	0.272	C	S	.	.	H	α-helix	trans	-71.8	-45.1	176.2	-81.2	-14.9	0	0	0	112	Y244 S342 Y343 L344	Y244-D248 PolarHBondContact O-N 2.82Å; D248-S342 VanDerWaalsContact CG-OG 3.32Å; D248-S342 WeakPolarHBondContact OD2-CB 3.24Å; D248-S342 PolarHBondContact OD2-OG 3.11Å; D248-Y343 VanDerWaalsContact OD1-CD2 3.23Å; D248-Y343 WeakPolarHBondContact OD1-CD2 3.35Å; D248-Y343 PolarHBondContact OD1-N 2.87Å; D248-Y343 PolarHBondContact OD2-N 3.39Å; D248-L344 PolarHBondContact OD2-N 2.84Å
249	T	89.9	Confident	93.7	Very high	105 Å²	105	45.4 Å²	45.4	64%	0.644	24%	0.237	S	C	*	.	H	α-helix	trans	-80	-33.9	-174.7	52.9	0	0	0	0	113	G245 Q246	G245-T249 WeakPolarHBondContact O-CB 3Å; G245-T249 WeakPolarHBondContact O-CG2 3.03Å; G245-T249 PolarHBondContact O-N 2.87Å; G245-T249 PolarHBondContact O-OG1 2.82Å; Q246-T249 PolarHBondContact O-OG1 2.8Å
250	T	93.9	Very high	94.1	Very high	52 Å²	52	41.2 Å²	41.2	32%	0.319	22%	0.215	S	C	.	.			trans	-109.9	94.3	-171.2	-53.8	0	0	0	0	112	Q246 K252 L253 R254	Q246-T250 VanDerWaalsContact O-CB 3.23Å; Q246-T250 WeakPolarHBondContact O-CB 3.41Å; Q246-T250 PolarHBondContact O-N 3.35Å; Q246-T250 PolarHBondContact O-OG1 2.93Å; T250-K252 VanDerWaalsContact C-N 3.27Å; T250-K252 HydrophobicContact CG2-CB 4.47Å; T250-K252 PolarHBondContact O-N 2.86Å; T250-L253 HydrophobicContact CG2-CB 3.91Å; T250-L253 WeakPolarHBondContact O-CB 3.31Å; T250-L253 PolarHBondContact O-N 3.23Å; T250-R254 PolarHBondContact O-N 3.07Å
251	K	93.1	Very high	94.5	Very high	131 Å²	131	39.3 Å²	39.3	57%	0.57	21%	0.206	S	C	*	.	H	α-helix	trans	-52.7	-41.5	177.9	178	173.3	-174.6	-65.5	0	113.4	L253 R254 D255	K251-L253 VanDerWaalsContact C-N 3.29Å; K251-L253 PolarHBondContact O-N 2.93Å; K251-R254 PolarHBondContact O-N 3.19Å; K251-D255 WeakPolarHBondContact CE-OD2 3.25Å; K251-D255 VanDerWaalsContact CG-OD2 3.28Å; K251-D255 WeakPolarHBondContact CG-OD2 3.49Å; K251-D255 IonicContact NZ-OD2 2.69Å; K251-D255 PolarHBondContact NZ-OD2 2.73Å; K251-D255 WeakPolarHBondContact O-CB 3.39Å; K251-D255 VanDerWaalsContact O-CG 3.22Å; K251-D255 PolarHBondContact O-N 3.02Å
252	K	95.3	Very high	94.9	Very high	162 Å²	162	37.2 Å²	37.2	70%	0.704	19%	0.188	S	C	*	.	H	α-helix	trans	-61.5	-36.6	-179.9	-68.6	-173.5	178.6	-178.5	0	112.5	L202 T250 F256	L202-K252 HydrophobicContact CD1-CB 3.81Å; T250-K252 VanDerWaalsContact C-N 3.27Å; T250-K252 HydrophobicContact CG2-CB 4.47Å; T250-K252 PolarHBondContact O-N 2.86Å; K252-F256 WeakPolarHBondContact O-CB 3.49Å; K252-F256 PolarHBondContact O-N 3.19Å
253	L	95.7	Very high	95.3	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-68.8	-47.3	178.2	-178.4	66.2	0	0	0	111.3	V201 L202 F232 Q246 L247 T250 K251 D255 F256 F257	V201-L253 HydrophobicContact CG1-CD1 3.71Å; L202-L253 HydrophobicContact CD2-CB 4.37Å; L202-L253 HydrophobicContact CD2-CD1 3.66Å; F232-L253 HydrophobicContact CD2-CD2 4.46Å; F232-L253 HydrophobicContact CE2-CD1 3.98Å; F232-L253 HydrophobicContact CE2-CD2 3.82Å; F232-L253 HydrophobicContact CZ-CD1 4.35Å; F232-L253 HydrophobicContact CZ-CD2 3.87Å; Q246-L253 HydrophobicContact CB-CD2 3.79Å; L247-L253 HydrophobicContact CD2-CD2 4.2Å; L247-L253 HydrophobicContact CD2-CG 4.02Å; T250-L253 HydrophobicContact CG2-CB 3.91Å; T250-L253 WeakPolarHBondContact O-CB 3.31Å; T250-L253 PolarHBondContact O-N 3.23Å; K251-L253 VanDerWaalsContact C-N 3.29Å; K251-L253 PolarHBondContact O-N 2.93Å; L253-D255 PolarHBondContact O-N 3.17Å; L253-F256 WeakPolarHBondContact O-CB 3.35Å; L253-F256 PolarHBondContact O-N 3.1Å; L253-F257 HydrophobicContact CD1-CE2 3.73Å; L253-F257 HydrophobicContact CG-CE2 4.24Å; L253-F257 WeakPolarHBondContact O-CD2 3.42Å
254	R	94.2	Very high	95.5	Very high	52 Å²	52	37.2 Å²	37.2	20%	0.196	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-45	174.9	-177.8	-175.4	61.2	-136.9	-0.2	112	L247 T250 K251 F256 F257 T258	L247-R254 HydrophobicContact CD2-CB 4.29Å; T250-R254 PolarHBondContact O-N 3.07Å; K251-R254 PolarHBondContact O-N 3.19Å; R254-F256 PolarHBondContact O-N 2.03Å; R254-F257 PolarHBondContact O-N 3.43Å; R254-T258 PolarHBondContact O-N 2.71Å; R254-T258 PolarHBondContact O-OG1 3.34Å
255	D	95.5	Very high	95.8	Very high	27 Å²	27	39.5 Å²	39.5	14%	0.144	19%	0.19	C	C	.	.	H	α-helix	trans	-67.5	-22.8	179.5	-67.7	-12.1	0	0	0	111.8	K164 K251 L253 T258 K298	K164-D255 PolarHBondContact NZ-O 3.48Å; K251-D255 WeakPolarHBondContact CE-OD2 3.25Å; K251-D255 VanDerWaalsContact CG-OD2 3.28Å; K251-D255 WeakPolarHBondContact CG-OD2 3.49Å; K251-D255 IonicContact NZ-OD2 2.69Å; K251-D255 PolarHBondContact NZ-OD2 2.73Å; K251-D255 WeakPolarHBondContact O-CB 3.39Å; K251-D255 VanDerWaalsContact O-CG 3.22Å; K251-D255 PolarHBondContact O-N 3.02Å; L253-D255 PolarHBondContact O-N 3.17Å; D255-T258 PolarHBondContact O-N 3Å; D255-K298 IonicContact OD1-NZ 3.55Å
256	F	97.9	Very high	96.1	Very high	18 Å²	18	38.8 Å²	38.8	8%	0.079	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-41.4	173.4	-176.8	-92.4	0	0	0	112.2	K164 Y175 L202 F223 K252 L253 R254 T258	K164-F256 PolarHBondContact NZ-O 3.38Å; Y175-F256 HydrophobicContact CD2-CE2 4.15Å; Y175-F256 AromaticContact CD2-CZ 3.97Å; Y175-F256 HydrophobicContact CD2-CZ 3.97Å; Y175-F256 HydrophobicContact CE2-CD1 4.07Å; Y175-F256 HydrophobicContact CE2-CD2 4.24Å; Y175-F256 AromaticContact CE2-CE1 3.62Å; Y175-F256 HydrophobicContact CE2-CE1 3.62Å; Y175-F256 AromaticContact CE2-CE2 3.83Å; Y175-F256 HydrophobicContact CE2-CE2 3.83Å; Y175-F256 HydrophobicContact CE2-CG 4.36Å; Y175-F256 AromaticContact CE2-CZ 3.5Å; Y175-F256 HydrophobicContact CE2-CZ 3.5Å; Y175-F256 PolarHBondContact OH-O 3Å; L202-F256 HydrophobicContact CB-CD2 4.36Å; L202-F256 HydrophobicContact CD2-CB 3.64Å; L202-F256 HydrophobicContact CD2-CD1 4.42Å; L202-F256 HydrophobicContact CD2-CD2 4.01Å; L202-F256 HydrophobicContact CD2-CG 3.78Å; F223-F256 HydrophobicContact CZ-CE1 4.13Å; F223-F256 HydrophobicContact CZ-CZ 4.12Å; K252-F256 WeakPolarHBondContact O-CB 3.49Å; K252-F256 PolarHBondContact O-N 3.19Å; L253-F256 WeakPolarHBondContact O-CB 3.35Å; L253-F256 PolarHBondContact O-N 3.1Å; R254-F256 PolarHBondContact O-N 2.03Å; F256-T258 VanDerWaalsContact C-N 3.33Å
257	F	97.7	Very high	96.2	Very high	8 Å²	8	36.7 Å²	36.7	4%	0.035	17%	0.174	C	C	.	.	S	Bend	trans	-88.9	0.4	176.2	-56	-74.1	0	0	0	113.7	E143 L144 I225 R228 F229 L247 L253 R254	E143-F257 WeakPolarHBondContact CA-O 3.37Å; L144-F257 PolarHBondContact N-O 3.03Å; I225-F257 HydrophobicContact CB-CE1 4.49Å; I225-F257 HydrophobicContact CG1-CD1 4.27Å; I225-F257 HydrophobicContact CG1-CE1 4.35Å; I225-F257 HydrophobicContact CG2-CD1 3.97Å; I225-F257 HydrophobicContact CG2-CE1 4.01Å; R228-F257 HydrophobicContact CB-CE1 4.18Å; R228-F257 HydrophobicContact CB-CZ 3.98Å; F229-F257 HydrophobicContact CD1-CE1 4.22Å; F229-F257 AromaticContact CD1-CE2 3.98Å; F229-F257 HydrophobicContact CD1-CE2 3.98Å; F229-F257 AromaticContact CD1-CZ 3.78Å; F229-F257 HydrophobicContact CD1-CZ 3.78Å; F229-F257 AromaticContact CE1-CD1 3.9Å; F229-F257 HydrophobicContact CE1-CD1 3.9Å; F229-F257 AromaticContact CE1-CD2 3.63Å; F229-F257 HydrophobicContact CE1-CD2 3.63Å; F229-F257 AromaticContact CE1-CE1 3.75Å; F229-F257 HydrophobicContact CE1-CE1 3.75Å; F229-F257 AromaticContact CE1-CE2 3.47Å; F229-F257 HydrophobicContact CE1-CE2 3.47Å; F229-F257 VanDerWaalsContact CE1-CE2 3.47Å; F229-F257 AromaticContact CE1-CG 3.84Å; F229-F257 HydrophobicContact CE1-CG 3.84Å; F229-F257 AromaticContact CE1-CZ 3.53Å; F229-F257 HydrophobicContact CE1-CZ 3.53Å; F229-F257 HydrophobicContact CZ-CD1 4.02Å; F229-F257 HydrophobicContact CZ-CD2 4.3Å; F229-F257 HydrophobicContact CZ-CE1 4.19Å; F229-F257 HydrophobicContact CZ-CE2 4.46Å; F229-F257 HydrophobicContact CZ-CG 4.07Å; F229-F257 HydrophobicContact CZ-CZ 4.41Å; L247-F257 HydrophobicContact CD2-CD2 4.46Å; L253-F257 HydrophobicContact CD1-CE2 3.73Å; L253-F257 HydrophobicContact CG-CE2 4.24Å; L253-F257 WeakPolarHBondContact O-CD2 3.42Å; R254-F257 PolarHBondContact O-N 3.43Å
258	T	98.1	Very high	96.4	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.6	173.9	-56	0	0	0	0	109.9	T141 I142 K164 L166 R254 D255 F256 K298	T141-T258 HydrophobicContact CG2-CG2 3.24Å; I142-T258 CarbonylContact O-C 3.58Å; I142-T258 VanDerWaalsContact O-CA 3.31Å; I142-T258 WeakPolarHBondContact O-CA 3.44Å; K164-T258 PolarHBondContact NZ-O 2.97Å; L166-T258 HydrophobicContact CD2-CG2 3.79Å; L166-T258 WeakPolarHBondContact CD2-O 3.3Å; R254-T258 PolarHBondContact O-N 2.71Å; R254-T258 PolarHBondContact O-OG1 3.34Å; D255-T258 PolarHBondContact O-N 3Å; F256-T258 VanDerWaalsContact C-N 3.33Å; T258-K298 HydrophobicContact CG2-CD 3.91Å
259	V	98.5	Very high	96.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150.6	174.3	-60.1	0	0	0	0	111.4	I142 L144 K164 Y175 L262	I142-V259 HydrophobicContact CB-CG2 4.44Å; I142-V259 PolarHBondContact N-O 3Å; I142-V259 PolarHBondContact O-N 3.2Å; L144-V259 HydrophobicContact CD1-CG1 3.98Å; L144-V259 HydrophobicContact CD1-CG2 4.3Å; L144-V259 HydrophobicContact CD2-CG2 4.11Å; L144-V259 HydrophobicContact CG-CG2 4.13Å; K164-V259 HydrophobicContact CB-CG1 3.97Å; K164-V259 HydrophobicContact CD-CG1 4.08Å; Y175-V259 HydrophobicContact CE1-CG1 4.21Å; V259-L262 HydrophobicContact CG1-CD2 4Å
260	T	98.1	Very high	96.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-29.2	162.8	58.2	0	0	0	0	111.9	W138 T141 S165 D167 Y168	W138-T260 PolarHBondContact N-O 2.97Å; T141-T260 HydrophobicContact CG2-CG2 4.4Å; S165-T260 PolarHBondContact O-N 3.45Å; S165-T260 PolarHBondContact O-OG1 3.49Å; D167-T260 PolarHBondContact N-OG1 3.33Å; Y168-T260 WeakPolarHBondContact CA-OG1 3.46Å; Y168-T260 HydrophobicContact CD1-CG2 3.86Å; Y168-T260 HydrophobicContact CE1-CG2 3.73Å; Y168-T260 HydrophobicContact CG-CG2 4.34Å; Y168-T260 PolarHBondContact N-OG1 2.86Å
261	D	98.6	Very high	96.4	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.043	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	150	-178.1	-44.9	-98.4	0	0	0	109.2	L136 S137 K164 S165 Y168 G169 W172	L136-D261 CarbonylContact O-C 3.56Å; L136-D261 WeakPolarHBondContact O-CA 3.14Å; S137-D261 VanDerWaalsContact CA-OD1 3.26Å; S137-D261 WeakPolarHBondContact CA-OD1 3.38Å; S137-D261 WeakPolarHBondContact CB-OD1 3.2Å; S137-D261 PolarHBondContact OG-OD1 2.94Å; K164-D261 WeakPolarHBondContact CA-O 3.37Å; S165-D261 PolarHBondContact N-O 3.3Å; Y168-D261 VanDerWaalsContact C-OD2 3.24Å; Y168-D261 WeakPolarHBondContact CA-OD2 3.14Å; G169-D261 PolarHBondContact N-OD2 2.87Å; W172-D261 HydrophobicContact CH2-CB 3.62Å; W172-D261 HydrophobicContact CZ2-CB 4.42Å; W172-D261 HydrophobicContact CZ3-CB 4.17Å
262	L	98.8	Very high	95.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.8	170.3	-71.6	179.3	0	0	0	108.7	T135 L136 W138 I148 E163 K164 Y175 V259 V293	T135-L262 WeakPolarHBondContact CA-O 3.45Å; L136-L262 HydrophobicContact CB-CB 4.29Å; L136-L262 HydrophobicContact CD1-CB 4.38Å; L136-L262 PolarHBondContact N-O 3.22Å; L136-L262 PolarHBondContact O-N 3.04Å; W138-L262 HydrophobicContact CH2-CB 4.16Å; W138-L262 HydrophobicContact CH2-CD1 3.84Å; W138-L262 HydrophobicContact CH2-CG 3.94Å; W138-L262 HydrophobicContact CZ3-CB 4.07Å; W138-L262 HydrophobicContact CZ3-CD1 4.28Å; W138-L262 HydrophobicContact CZ3-CG 3.87Å; I148-L262 HydrophobicContact CD1-CD1 3.58Å; I148-L262 HydrophobicContact CD1-CD2 4.42Å; I148-L262 HydrophobicContact CG1-CD1 4.4Å; E163-L262 WeakPolarHBondContact O-CA 3.39Å; K164-L262 HydrophobicContact CB-CD2 3.85Å; Y175-L262 HydrophobicContact CD1-CD2 4.06Å; Y175-L262 HydrophobicContact CE1-CD2 4.26Å; V259-L262 HydrophobicContact CG1-CD2 4Å; L262-V293 HydrophobicContact CD1-CG2 4.35Å
263	R	98.8	Very high	94.5	Very high	49 Å²	49	29 Å²	29	19%	0.185	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	122.2	173	-177	167	65.3	-176.6	4	110.1	I134 E163 W172 R265	I134-R263 WeakPolarHBondContact O-CA 3.47Å; E163-R263 HydrophobicContact CB-CB 4.33Å; E163-R263 PolarHBondContact N-O 3.21Å; E163-R263 PolarHBondContact O-N 3.02Å; E163-R263 IonicContact OE1-NH2 3.11Å; E163-R263 IonicContact OE2-CZ 2.76Å; E163-R263 IonicContact OE2-NE 3.84Å; E163-R263 PolarHBondContact OE2-NE 3.19Å; E163-R263 IonicContact OE2-NH2 2.87Å; E163-R263 PolarHBondContact OE2-NH2 3.32Å; W172-R263 HydrophobicContact CD2-CB 4.43Å; W172-R263 HydrophobicContact CE3-CB 3.66Å; W172-R263 HydrophobicContact CH2-CB 3.69Å; W172-R263 HydrophobicContact CZ2-CB 4.43Å; W172-R263 HydrophobicContact CZ3-CB 3.26Å; W172-R263 HydrophobicContact CZ3-CG 4.5Å; R263-R265 HydrophobicContact CG-CG 4Å
264	I	98.8	Very high	93.4	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.1	172.4	-55.2	163.4	0	0	0	106	N133 I134 I150 M160 L162 L266 I291	N133-I264 WeakPolarHBondContact CA-O 3.36Å; I134-I264 HydrophobicContact CB-CB 4.26Å; I134-I264 PolarHBondContact N-O 2.86Å; I134-I264 PolarHBondContact O-N 2.98Å; I150-I264 HydrophobicContact CD1-CD1 3.71Å; I150-I264 HydrophobicContact CD1-CG1 4.04Å; I150-I264 HydrophobicContact CG1-CD1 4.28Å; M160-I264 HydrophobicContact CG-CG2 4.03Å; M160-I264 HydrophobicContact SD-CG2 3.62Å; L162-I264 HydrophobicContact CD1-CG1 4.12Å; I264-L266 HydrophobicContact CG2-CD2 3.86Å; I264-L266 HydrophobicContact CG2-CG 4.14Å; I264-I291 HydrophobicContact CD1-CD1 3.87Å
265	R	98.7	Very high	92.8	Very high	74 Å²	74	40.9 Å²	40.9	28%	0.279	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	102.5	176.4	-63.6	-178.5	57.8	-169.1	-3.9	108.8	N133 M160 I161 E163 R263 L267	N133-R265 WeakPolarHBondContact OD1-CG 3.3Å; M160-R265 CarbonylContact C-O 3.53Å; M160-R265 VanDerWaalsContact CA-O 3.27Å; M160-R265 WeakPolarHBondContact CA-O 3.29Å; I161-R265 HydrophobicContact CB-CB 4.23Å; I161-R265 PolarHBondContact N-O 2.72Å; I161-R265 PolarHBondContact O-N 3.18Å; E163-R265 WeakPolarHBondContact OE1-CD 3.08Å; E163-R265 IonicContact OE1-CZ 2.63Å; E163-R265 IonicContact OE1-NE 3.93Å; E163-R265 IonicContact OE1-NH1 2.67Å; E163-R265 PolarHBondContact OE1-NH1 2.81Å; E163-R265 WeakPolarHBondContact OE2-CD 3.07Å; R263-R265 HydrophobicContact CG-CG 4Å; R265-L267 HydrophobicContact CB-CD2 4.41Å
266	L	98.6	Very high	92.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.3	174.9	-55.8	171.4	0	0	0	107.5	W118 Q131 V132 I134 F152 P157 M160 I264 Y286	W118-L266 HydrophobicContact CZ3-CD1 4.46Å; Q131-L266 WeakPolarHBondContact CA-O 3.5Å; V132-L266 HydrophobicContact CB-CB 4.18Å; V132-L266 HydrophobicContact CB-CD1 4.09Å; V132-L266 PolarHBondContact N-O 2.95Å; V132-L266 WeakPolarHBondContact O-CB 3.44Å; V132-L266 PolarHBondContact O-N 3.09Å; I134-L266 HydrophobicContact CD1-CD1 3.94Å; I134-L266 HydrophobicContact CG1-CD1 4.48Å; F152-L266 HydrophobicContact CE1-CD2 4.28Å; F152-L266 HydrophobicContact CZ-CD2 4.24Å; P157-L266 HydrophobicContact CB-CD2 4.35Å; P157-L266 HydrophobicContact CG-CD2 3.52Å; M160-L266 HydrophobicContact CG-CD2 3.96Å; M160-L266 HydrophobicContact SD-CD2 3.81Å; I264-L266 HydrophobicContact CG2-CD2 3.86Å; I264-L266 HydrophobicContact CG2-CG 4.14Å; L266-Y286 HydrophobicContact CB-CD1 4.27Å; L266-Y286 HydrophobicContact CB-CD2 4.31Å; L266-Y286 HydrophobicContact CB-CE1 3.79Å; L266-Y286 HydrophobicContact CB-CE2 3.84Å; L266-Y286 HydrophobicContact CB-CG 4.48Å; L266-Y286 HydrophobicContact CD1-CD1 3.93Å; L266-Y286 HydrophobicContact CD1-CD2 4.06Å; L266-Y286 HydrophobicContact CD1-CE1 4.32Å; L266-Y286 HydrophobicContact CD1-CE2 4.45Å; L266-Y286 HydrophobicContact CD1-CG 3.76Å; L266-Y286 HydrophobicContact CD2-CD1 4.24Å; L266-Y286 HydrophobicContact CD2-CE1 4.18Å; L266-Y286 HydrophobicContact CG-CD1 4.38Å; L266-Y286 HydrophobicContact CG-CE1 4.33Å
267	L	97.8	Very high	92	Very high	23 Å²	23	41.8 Å²	41.8	12%	0.12	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-38.3	-172.3	-58	179.5	0	0	0	113	Q131 Q159 I161 F186 R265 Y286	Q131-L267 HydrophobicContact CG-CD2 4.47Å; Q159-L267 HydrophobicContact CB-CB 3.85Å; Q159-L267 HydrophobicContact CB-CD1 4.49Å; Q159-L267 PolarHBondContact O-N 2.94Å; I161-L267 HydrophobicContact CD1-CD1 3.85Å; I161-L267 HydrophobicContact CG1-CD1 3.96Å; F186-L267 HydrophobicContact CE1-CD1 3.75Å; F186-L267 HydrophobicContact CZ-CD1 3.9Å; R265-L267 HydrophobicContact CB-CD2 4.41Å; L267-Y286 PolarHBondContact N-OH 2.9Å
268	R	95.8	Very high	91.7	Very high	69 Å²	69	47.8 Å²	47.8	26%	0.26	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	128.6	177	-168.5	176.2	178.5	175.9	-2.9	110.7	P157 D158 Q159 Y286	P157-R268 WeakPolarHBondContact CA-O 3.35Å; P157-R268 WeakPolarHBondContact CB-O 3.37Å; D158-R268 HydrophobicContact CB-CB 4.12Å; D158-R268 HydrophobicContact CB-CG 4.05Å; D158-R268 PolarHBondContact N-O 3.17Å; Q159-R268 HydrophobicContact CB-CB 3.93Å; Q159-R268 HydrophobicContact CG-CB 4.16Å; Q159-R268 PolarHBondContact N-O 3.28Å; Q159-R268 PolarHBondContact O-N 2.82Å; R268-Y286 VanDerWaalsContact CA-OH 3.29Å; R268-Y286 WeakPolarHBondContact CA-OH 3.42Å; R268-Y286 PolarHBondContact N-OH 3.49Å; R268-Y286 PolarHBondContact O-OH 3.06Å
269	P	94.5	Very high	91.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.285	C	S	.	.			trans	-71.5	170.6	-179.6	30.3	-35.5	0	0	0	110.9	W123 L130 V271 Y286	W123-P269 HydrophobicContact CD2-CG 4.27Å; W123-P269 HydrophobicContact CE3-CG 3.6Å; W123-P269 HydrophobicContact CZ3-CG 3.9Å; L130-P269 HydrophobicContact CD2-CG 4.33Å; P269-V271 PolarHBondContact O-N 2.91Å; P269-V271 VanDerWaalsContact O-N 3.11Å; P269-Y286 VanDerWaalsContact CA-CE1 3.46Å; P269-Y286 HydrophobicContact CB-CD1 4.4Å; P269-Y286 HydrophobicContact CB-CE1 3.9Å; P269-Y286 HydrophobicContact CB-CE2 4.32Å
270	A	91.8	Very high	90.7	Very high	26 Å²	26	58.9 Å²	58.9	22%	0.215	30%	0.302	C	S	.	.			trans	-63.4	110.9	175.8	0	0	0	0	0	110	R156 D158 Y284	R156-A270 VanDerWaalsContact O-CB 3.23Å; R156-A270 WeakPolarHBondContact O-CB 3.32Å; D158-A270 WeakPolarHBondContact OD1-CA 3.22Å; A270-Y284 WeakPolarHBondContact O-CD1 3.29Å
271	V	88.4	Confident	90.5	Very high	14 Å²	14	60.3 Å²	60.3	9%	0.085	31%	0.31	C	S	.	.			trans	-99.3	-26.7	176.5	-66.7	0	0	0	0	112.5	W123 D158 P269 E273 V276 Y284	W123-V271 HydrophobicContact CZ3-CG1 4.15Å; D158-V271 PolarHBondContact OD1-N 3Å; D158-V271 VanDerWaalsContact OD1-N 3.15Å; D158-V271 WeakPolarHBondContact OD2-CG2 3.4Å; P269-V271 PolarHBondContact O-N 2.91Å; P269-V271 VanDerWaalsContact O-N 3.11Å; V271-E273 VanDerWaalsContact CG2-O 3.24Å; V271-E273 WeakPolarHBondContact CG2-O 3.44Å; V271-E273 PolarHBondContact O-N 2.95Å; V271-V276 HydrophobicContact CG1-CG2 3.96Å; V271-Y284 HydrophobicContact CB-CE1 4.14Å; V271-Y284 HydrophobicContact CG1-CD1 4.02Å; V271-Y284 HydrophobicContact CG1-CE1 4Å
272	G	76.1	Confident	90.1	Very high	80 Å²	80	61.1 Å²	61.1	83%	0.825	32%	0.317	S	S	*	.			trans	70.2	-29.1	177.8	0	0	0	0	0	115
273	E	71.4	Confident	89.7	Confident	151 Å²	151	63.9 Å²	63.9	71%	0.706	33%	0.328	S	S	*	.	S	Bend	trans	-119.6	164.8	175.2	-63.3	-169.8	179.7	0	0	111.4	V271 F275	V271-E273 VanDerWaalsContact CG2-O 3.24Å; V271-E273 WeakPolarHBondContact CG2-O 3.44Å; V271-E273 PolarHBondContact O-N 2.95Å; E273-F275 PolarHBondContact O-N 2.89Å
274	I	72.6	Confident	89.4	Confident	144 Å²	144	62.3 Å²	62.3	74%	0.738	32%	0.322	S	S	*	.	S	Bend	trans	-64.4	-33.1	179.7	-55.5	171.1	0	0	0	110.9
275	F	82.1	Confident	89.3	Confident	163 Å²	163	63 Å²	63	72%	0.715	33%	0.325	S	S	*	.	S	Bend	trans	-110.4	142.8	-177.2	-60.1	-76.2	0	0	0	111.4	E273	E273-F275 PolarHBondContact O-N 2.89Å
276	V	88.9	Confident	89.2	Confident	18 Å²	18	59.5 Å²	59.5	11%	0.109	31%	0.312	C	S	.	.			trans	-82.7	132	174.7	179.7	0	0	0	0	108.4	W123 Y126 V271 E278 L281 Y284	W123-V276 HydrophobicContact CH2-CG2 4.37Å; W123-V276 HydrophobicContact CZ3-CG1 4.42Å; W123-V276 HydrophobicContact CZ3-CG2 3.94Å; Y126-V276 HydrophobicContact CD2-CG1 4.02Å; Y126-V276 HydrophobicContact CE2-CB 3.9Å; Y126-V276 HydrophobicContact CE2-CG1 3.88Å; Y126-V276 HydrophobicContact CE2-CG2 3.84Å; V271-V276 HydrophobicContact CG1-CG2 3.96Å; V276-E278 PolarHBondContact O-N 3.02Å; V276-E278 VanDerWaalsContact O-N 3.11Å; V276-L281 HydrophobicContact CG1-CD2 3.94Å; V276-Y284 HydrophobicContact CG1-CD2 3.93Å; V276-Y284 HydrophobicContact CG1-CE2 3.47Å; V276-Y284 VanDerWaalsContact CG1-CE2 3.47Å
277	D	88.4	Confident	89.1	Confident	46 Å²	46	59.5 Å²	59.5	25%	0.246	31%	0.312	C	S	.	.			trans	-76.9	94.5	171.9	-174.8	-11	0	0	0	109.5	L279 H280 R283 Y284	D277-L279 PolarHBondContact O-N 3.28Å; D277-L279 WeakPolarHBondContact OD1-CB 3.38Å; D277-L279 PolarHBondContact OD1-N 3.47Å; D277-L279 VanDerWaalsContact OD1-N 3.11Å; D277-H280 VanDerWaalsContact CG-ND1 3.34Å; D277-H280 CarbonylContact O-C 3.55Å; D277-H280 PolarHBondContact O-N 2.92Å; D277-H280 VanDerWaalsContact O-N 3.09Å; D277-H280 PolarHBondContact OD1-N 2.89Å; D277-H280 IonicContact OD1-ND1 3.66Å; D277-H280 PolarHBondContact OD1-ND1 2.84Å; D277-H280 IonicContact OD2-CE1 2.73Å; D277-H280 IonicContact OD2-CG 3.81Å; D277-H280 IonicContact OD2-ND1 3.55Å; D277-H280 PolarHBondContact OD2-ND1 3.43Å; D277-R283 IonicContact OD2-CZ 2.73Å; D277-R283 IonicContact OD2-NH1 2.76Å; D277-R283 PolarHBondContact OD2-NH1 2.84Å; D277-Y284 PolarHBondContact N-OH 2.82Å
278	E	90.4	Very high	89.1	Confident	134 Å²	134	58.4 Å²	58.4	63%	0.626	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.1	-178.6	-62.5	-175	-165.9	0	0	113.4	Y126 V276	Y126-E278 HydrophobicContact CD1-CG 4.05Å; Y126-E278 HydrophobicContact CE1-CG 3.72Å; V276-E278 PolarHBondContact O-N 3.02Å; V276-E278 VanDerWaalsContact O-N 3.11Å
279	L	88.4	Confident	89	Confident	154 Å²	154	55.9 Å²	55.9	81%	0.806	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-22.2	177.8	-63.9	171.1	0	0	0	112.1	D277	D277-L279 PolarHBondContact O-N 3.28Å; D277-L279 WeakPolarHBondContact OD1-CB 3.38Å; D277-L279 PolarHBondContact OD1-N 3.47Å; D277-L279 VanDerWaalsContact OD1-N 3.11Å
280	H	88.4	Confident	89	Confident	80 Å²	80	56.5 Å²	56.5	37%	0.37	30%	0.302	S	S	.	.			trans	-128	51	-173	-56.2	100.9	0	0	0	112.7	D277 A282 R283	D277-H280 VanDerWaalsContact CG-ND1 3.34Å; D277-H280 CarbonylContact O-C 3.55Å; D277-H280 PolarHBondContact O-N 2.92Å; D277-H280 VanDerWaalsContact O-N 3.09Å; D277-H280 PolarHBondContact OD1-N 2.89Å; D277-H280 IonicContact OD1-ND1 3.66Å; D277-H280 PolarHBondContact OD1-ND1 2.84Å; D277-H280 IonicContact OD2-CE1 2.73Å; D277-H280 IonicContact OD2-CG 3.81Å; D277-H280 IonicContact OD2-ND1 3.55Å; D277-H280 PolarHBondContact OD2-ND1 3.43Å; H280-A282 PolarHBondContact O-N 2.83Å; H280-A282 VanDerWaalsContact O-N 3.08Å; H280-R283 HydrophobicContact CB-CG 4.31Å; H280-R283 WeakPolarHBondContact O-CB 3.09Å; H280-R283 WeakPolarHBondContact O-CG 3.41Å; H280-R283 PolarHBondContact O-N 3.49Å; H280-R283 VanDerWaalsContact O-N 3.12Å
281	L	92.2	Very high	89.3	Confident	30 Å²	30	55.3 Å²	55.3	16%	0.157	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-61.6	-17.8	-179.4	-65.3	171.5	0	0	0	114.6	Y126 V276 R283 Y284	Y126-L281 HydrophobicContact CD2-CD2 4.47Å; Y126-L281 HydrophobicContact CG-CD2 3.98Å; V276-L281 HydrophobicContact CG1-CD2 3.94Å; L281-R283 PolarHBondContact O-N 3.1Å; L281-R283 VanDerWaalsContact O-N 3.09Å; L281-Y284 HydrophobicContact CD2-CD2 4.16Å; L281-Y284 HydrophobicContact CD2-CE2 4.41Å; L281-Y284 PolarHBondContact O-N 2.9Å; L281-Y284 VanDerWaalsContact O-N 3.12Å
282	A	91.8	Very high	89.7	Confident	25 Å²	25	58.1 Å²	58.1	21%	0.207	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-63.3	-9.4	173.6	0	0	0	0	0	114.1	C80 H280	C80-A282 PolarHBondContact N-O 2.85Å; C80-A282 VanDerWaalsContact N-O 3.13Å; H280-A282 PolarHBondContact O-N 2.83Å; H280-A282 VanDerWaalsContact O-N 3.08Å
283	R	89.4	Confident	90.7	Very high	59 Å²	59	54.3 Å²	54.3	22%	0.223	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-81	-20.3	174.5	-64.9	176.9	-179.5	153.5	9.8	113.6	C80 P85 D277 H280 L281	C80-R283 HydrophobicContact CB-CB 4.47Å; C80-R283 HydrophobicContact CB-CG 3.81Å; C80-R283 VanDerWaalsContact SG-CG 3.51Å; P85-R283 PolarHBondContact O-NE 3.4Å; P85-R283 PolarHBondContact O-NH2 3.39Å; D277-R283 IonicContact OD2-CZ 2.73Å; D277-R283 IonicContact OD2-NH1 2.76Å; D277-R283 PolarHBondContact OD2-NH1 2.84Å; H280-R283 HydrophobicContact CB-CG 4.31Å; H280-R283 WeakPolarHBondContact O-CB 3.09Å; H280-R283 WeakPolarHBondContact O-CG 3.41Å; H280-R283 PolarHBondContact O-N 3.49Å; H280-R283 VanDerWaalsContact O-N 3.12Å; L281-R283 PolarHBondContact O-N 3.1Å; L281-R283 VanDerWaalsContact O-N 3.09Å
284	Y	93.1	Very high	92	Very high	16 Å²	16	53.5 Å²	53.5	6%	0.063	26%	0.255	C	S	.	.			trans	-108.8	110.2	-170.7	-49.7	-64.1	0	0	0	110.4	T122 W123 A270 V271 V276 D277 L281	T122-Y284 CarbonylContact C-O 3.48Å; T122-Y284 WeakPolarHBondContact CA-O 3.27Å; W123-Y284 HydrophobicContact CE3-CD2 4.45Å; W123-Y284 HydrophobicContact CE3-CG 4.28Å; W123-Y284 PolarHBondContact N-O 3.14Å; A270-Y284 WeakPolarHBondContact O-CD1 3.29Å; V271-Y284 HydrophobicContact CB-CE1 4.14Å; V271-Y284 HydrophobicContact CG1-CD1 4.02Å; V271-Y284 HydrophobicContact CG1-CE1 4Å; V276-Y284 HydrophobicContact CG1-CD2 3.93Å; V276-Y284 HydrophobicContact CG1-CE2 3.47Å; V276-Y284 VanDerWaalsContact CG1-CE2 3.47Å; D277-Y284 PolarHBondContact N-OH 2.82Å; L281-Y284 HydrophobicContact CD2-CD2 4.16Å; L281-Y284 HydrophobicContact CD2-CE2 4.41Å; L281-Y284 PolarHBondContact O-N 2.9Å; L281-Y284 VanDerWaalsContact O-N 3.12Å
285	F	95.8	Very high	93.1	Very high	17 Å²	17	46.7 Å²	46.7	8%	0.075	22%	0.22	C	C	.	.			trans	-159	171.9	177.6	57.1	-87.6	0	0	0	108.8	F79 C80 Q119 T122 A287	F79-F285 HydrophobicContact CB-CD1 4.3Å; F79-F285 HydrophobicContact CB-CE1 3.98Å; F79-F285 HydrophobicContact CB-CZ 4.44Å; F79-F285 HydrophobicContact CD2-CE1 4.07Å; F79-F285 HydrophobicContact CD2-CE2 4.45Å; F79-F285 AromaticContact CD2-CZ 3.75Å; F79-F285 HydrophobicContact CD2-CZ 3.75Å; F79-F285 HydrophobicContact CE2-CZ 4.47Å; F79-F285 HydrophobicContact CG-CE1 4.47Å; F79-F285 HydrophobicContact CG-CZ 4.46Å; C80-F285 WeakPolarHBondContact O-CE1 3.34Å; Q119-F285 HydrophobicContact CG-CD2 3.82Å; Q119-F285 HydrophobicContact CG-CE2 4.26Å; T122-F285 HydrophobicContact CG2-CB 4.46Å; T122-F285 HydrophobicContact CG2-CD1 4.37Å; F285-A287 HydrophobicContact CD2-CB 4.17Å; F285-A287 HydrophobicContact CE2-CB 3.96Å
286	Y	97.6	Very high	93.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.			trans	-105.5	135.4	169.5	-60.2	-73.5	0	0	0	109.7	Q119 S120 L130 V132 P157 L266 L267 R268 P269	Q119-Y286 CarbonylContact C-O 3.37Å; Q119-Y286 WeakPolarHBondContact CA-O 3.38Å; S120-Y286 PolarHBondContact N-O 3.32Å; S120-Y286 PolarHBondContact OG-N 2.67Å; L130-Y286 HydrophobicContact CD2-CD2 4.02Å; L130-Y286 HydrophobicContact CD2-CE2 3.89Å; L130-Y286 HydrophobicContact CG-CD2 4.34Å; L130-Y286 HydrophobicContact CG-CE2 3.92Å; L130-Y286 WeakPolarHBondContact O-CE2 3.45Å; L130-Y286 PolarHBondContact O-OH 3.22Å; V132-Y286 HydrophobicContact CB-CD2 4.49Å; V132-Y286 HydrophobicContact CG2-CD2 3.76Å; V132-Y286 HydrophobicContact CG2-CE2 3.87Å; P157-Y286 HydrophobicContact CB-CE1 3.92Å; P157-Y286 HydrophobicContact CG-CD1 4.11Å; P157-Y286 HydrophobicContact CG-CE1 3.84Å; L266-Y286 HydrophobicContact CB-CD1 4.27Å; L266-Y286 HydrophobicContact CB-CD2 4.31Å; L266-Y286 HydrophobicContact CB-CE1 3.79Å; L266-Y286 HydrophobicContact CB-CE2 3.84Å; L266-Y286 HydrophobicContact CB-CG 4.48Å; L266-Y286 HydrophobicContact CD1-CD1 3.93Å; L266-Y286 HydrophobicContact CD1-CD2 4.06Å; L266-Y286 HydrophobicContact CD1-CE1 4.32Å; L266-Y286 HydrophobicContact CD1-CE2 4.45Å; L266-Y286 HydrophobicContact CD1-CG 3.76Å; L266-Y286 HydrophobicContact CD2-CD1 4.24Å; L266-Y286 HydrophobicContact CD2-CE1 4.18Å; L266-Y286 HydrophobicContact CG-CD1 4.38Å; L266-Y286 HydrophobicContact CG-CE1 4.33Å; L267-Y286 PolarHBondContact N-OH 2.9Å; R268-Y286 VanDerWaalsContact CA-OH 3.29Å; R268-Y286 WeakPolarHBondContact CA-OH 3.42Å; R268-Y286 PolarHBondContact N-OH 3.49Å; R268-Y286 PolarHBondContact O-OH 3.06Å; P269-Y286 VanDerWaalsContact CA-CE1 3.46Å; P269-Y286 HydrophobicContact CB-CD1 4.4Å; P269-Y286 HydrophobicContact CB-CE1 3.9Å; P269-Y286 HydrophobicContact CB-CE2 4.32Å
287	A	96	Very high	94.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128	167	0	0	0	0	0	110.5	F117 W118 Q119 F152 E153 S154 F285	F117-A287 HydrophobicContact CD2-CB 3.87Å; F117-A287 HydrophobicContact CE2-CB 4.41Å; W118-A287 CarbonylContact O-C 3.51Å; W118-A287 WeakPolarHBondContact O-CA 3.06Å; Q119-A287 HydrophobicContact CB-CB 4.31Å; Q119-A287 HydrophobicContact CG-CB 4.44Å; F152-A287 CarbonylContact C-O 3.58Å; F152-A287 VanDerWaalsContact CA-O 3.23Å; F152-A287 WeakPolarHBondContact CA-O 3.28Å; F152-A287 WeakPolarHBondContact CB-O 3.15Å; F152-A287 WeakPolarHBondContact CD1-O 3.44Å; E153-A287 HydrophobicContact CB-CB 3.94Å; E153-A287 PolarHBondContact N-O 2.87Å; S154-A287 PolarHBondContact N-O 2.82Å; S154-A287 PolarHBondContact OG-N 2.87Å; S154-A287 PolarHBondContact OG-O 3.18Å; F285-A287 HydrophobicContact CD2-CB 4.17Å; F285-A287 HydrophobicContact CE2-CB 3.96Å
288	I	97.1	Very high	94.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120	-177.3	-60.9	176.1	0	0	0	108.3	M106 F117 W118 I134 I150 T151 F152 I291	M106-I288 HydrophobicContact CB-CG2 4.48Å; M106-I288 HydrophobicContact CG-CB 4.01Å; M106-I288 HydrophobicContact CG-CG2 3.92Å; M106-I288 HydrophobicContact SD-CB 3.99Å; M106-I288 HydrophobicContact SD-CD1 4.09Å; M106-I288 HydrophobicContact SD-CG2 4.03Å; F117-I288 CarbonylContact C-O 3.57Å; F117-I288 VanDerWaalsContact CA-O 3.28Å; F117-I288 WeakPolarHBondContact CA-O 3.38Å; F117-I288 WeakPolarHBondContact CB-O 3.27Å; W118-I288 HydrophobicContact CE3-CB 4.13Å; W118-I288 HydrophobicContact CE3-CD1 4.16Å; W118-I288 HydrophobicContact CE3-CG1 4.08Å; W118-I288 HydrophobicContact CZ3-CD1 4.04Å; W118-I288 HydrophobicContact CZ3-CG1 4.18Å; W118-I288 PolarHBondContact N-O 3.26Å; W118-I288 PolarHBondContact O-N 3.3Å; I134-I288 HydrophobicContact CD1-CD1 3.39Å; I150-I288 HydrophobicContact CG2-CD1 4.4Å; I150-I288 HydrophobicContact CG2-CG2 4.11Å; T151-I288 CarbonylContact O-C 3.6Å; T151-I288 WeakPolarHBondContact O-CG2 3.42Å; F152-I288 HydrophobicContact CD1-CG1 3.86Å; F152-I288 HydrophobicContact CE1-CD1 4.1Å; F152-I288 HydrophobicContact CE1-CG1 3.69Å; F152-I288 HydrophobicContact CZ-CD1 4.38Å; F152-I288 HydrophobicContact CZ-CG1 4.29Å; I288-I291 HydrophobicContact CG2-CD1 4.11Å; I288-I291 HydrophobicContact CG2-CG1 3.71Å
289	S	94.5	Very high	94.9	Very high	17 Å²	17	32.1 Å²	32.1	12%	0.119	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-36.2	-179.2	67.1	0	0	0	0	112.8	T116 T151	T116-S289 WeakPolarHBondContact O-CA 3.35Å; T116-S289 WeakPolarHBondContact O-CB 3.4Å; T151-S289 WeakPolarHBondContact CB-OG 3.23Å; T151-S289 WeakPolarHBondContact CG2-OG 3.37Å; T151-S289 PolarHBondContact O-N 2.89Å; T151-S289 PolarHBondContact O-OG 3.23Å
290	D	95.4	Very high	95.4	Very high	12 Å²	12	25.9 Å²	25.9	6%	0.064	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	143.8	-178.2	-172.9	38.5	0	0	0	111.9	M106 E110 T151 K292	M106-D290 CarbonylContact O-C 3.55Å; E110-D290 HydrophobicContact CG-CB 4.44Å; T151-D290 PolarHBondContact N-O 3.46Å; T151-D290 PolarHBondContact O-N 3.25Å; D290-K292 WeakPolarHBondContact OD2-CE 3.2Å; D290-K292 VanDerWaalsContact OD2-CG 3.25Å; D290-K292 WeakPolarHBondContact OD2-CG 3.35Å; D290-K292 IonicContact OD2-NZ 2.82Å
291	I	97.3	Very high	95.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	114.1	172.8	-59.9	175.9	0	0	0	108.5	T58 M106 F107 L136 V149 I150 I264 I288 V293	T58-I291 WeakPolarHBondContact CG2-O 3.47Å; M106-I291 HydrophobicContact CB-CD1 4.11Å; M106-I291 HydrophobicContact CB-CG1 4.28Å; M106-I291 HydrophobicContact CG-CD1 4.42Å; M106-I291 PolarHBondContact O-N 2.69Å; M106-I291 HydrophobicContact SD-CD1 3.75Å; F107-I291 HydrophobicContact CD1-CB 4.22Å; F107-I291 HydrophobicContact CE1-CB 3.86Å; F107-I291 HydrophobicContact CE1-CD1 3.96Å; F107-I291 HydrophobicContact CE1-CG1 4.37Å; F107-I291 HydrophobicContact CE1-CG2 4.31Å; F107-I291 HydrophobicContact CZ-CD1 4.2Å; L136-I291 HydrophobicContact CD1-CG2 4.05Å; V149-I291 CarbonylContact O-C 3.59Å; V149-I291 WeakPolarHBondContact O-CA 3.47Å; I150-I291 HydrophobicContact CG2-CG1 4.33Å; I264-I291 HydrophobicContact CD1-CD1 3.87Å; I288-I291 HydrophobicContact CG2-CD1 4.11Å; I288-I291 HydrophobicContact CG2-CG1 3.71Å; I291-V293 HydrophobicContact CG2-CG2 4.16Å
292	K	96.6	Very high	96.1	Very high	74 Å²	74	21.2 Å²	21.2	32%	0.322	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124	176.2	-67.8	171.2	167.3	159.9	0	111.6	E110 I148 V149 D290	E110-K292 WeakPolarHBondContact OE1-CE 3.47Å; E110-K292 IonicContact OE1-NZ 3.76Å; E110-K292 PolarHBondContact OE1-NZ 3.46Å; E110-K292 WeakPolarHBondContact OE2-CE 3.33Å; E110-K292 IonicContact OE2-NZ 3.88Å; E110-K292 PolarHBondContact OE2-NZ 3.36Å; I148-K292 WeakPolarHBondContact CA-O 3.38Å; V149-K292 HydrophobicContact CB-CB 4.15Å; V149-K292 PolarHBondContact N-O 3.47Å; V149-K292 VanDerWaalsContact N-O 3.12Å; V149-K292 PolarHBondContact O-N 3.08Å; D290-K292 WeakPolarHBondContact OD2-CE 3.2Å; D290-K292 VanDerWaalsContact OD2-CG 3.25Å; D290-K292 WeakPolarHBondContact OD2-CG 3.35Å; D290-K292 IonicContact OD2-NZ 2.82Å
293	V	97.9	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.086	C	C	.	.			trans	-130	109.3	171.4	-175.4	0	0	0	0	108.5	M57 T58 W138 L144 I148 L262 I291	M57-V293 HydrophobicContact CB-CG1 4.29Å; M57-V293 WeakPolarHBondContact CB-O 2.99Å; M57-V293 PolarHBondContact N-O 2.91Å; T58-V293 HydrophobicContact CG2-CB 4.42Å; W138-V293 HydrophobicContact CH2-CG1 4.26Å; W138-V293 HydrophobicContact CH2-CG2 4.46Å; W138-V293 HydrophobicContact CZ2-CB 4.25Å; W138-V293 HydrophobicContact CZ2-CG1 3.94Å; W138-V293 HydrophobicContact CZ2-CG2 4.31Å; L144-V293 HydrophobicContact CD2-CG1 3.62Å; I148-V293 HydrophobicContact CG2-CG2 4.23Å; L262-V293 HydrophobicContact CD1-CG2 4.35Å; I291-V293 HydrophobicContact CG2-CG2 4.16Å
294	R	97.3	Very high	96.7	Very high	134 Å²	134	19.4 Å²	19.4	51%	0.506	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.5	173.3	-82.9	-174.3	162.9	-164.3	-5	111.4	T55 T145 D146	T55-R294 WeakPolarHBondContact O-CA 3.15Å; T145-R294 PolarHBondContact N-O 3Å; T145-R294 VanDerWaalsContact N-O 3.14Å; T145-R294 PolarHBondContact OG1-O 2.92Å; D146-R294 HydrophobicContact CB-CB 3.76Å
295	G	96.6	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	-169.8	-177.7	0	0	0	0	0	112.1	S54 T55 M57 E143 T145	S54-G295 CarbonylContact C-O 3.5Å; S54-G295 VanDerWaalsContact CA-O 3.29Å; S54-G295 WeakPolarHBondContact CA-O 3.37Å; S54-G295 PolarHBondContact OG-O 2.83Å; T55-G295 PolarHBondContact N-O 3.23Å; T55-G295 PolarHBondContact O-N 2.53Å; T55-G295 VanDerWaalsContact O-N 3.1Å; M57-G295 WeakPolarHBondContact CE-O 3.44Å; E143-G295 CarbonylContact O-C 3.56Å; E143-G295 WeakPolarHBondContact O-CA 3.47Å; T145-G295 WeakPolarHBondContact OG1-CA 3.21Å; T145-G295 PolarHBondContact OG1-N 3.02Å
296	R	96	Very high	96.7	Very high	29 Å²	29	22.8 Å²	22.8	11%	0.109	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	156.2	173.4	60.1	-164	165.7	116.6	-20.2	110.6	I142 E143 T145 K298 Y343	I142-R296 CarbonylContact C-O 3.21Å; I142-R296 WeakPolarHBondContact CA-O 3.35Å; I142-R296 WeakPolarHBondContact CG2-O 3.39Å; E143-R296 HydrophobicContact CB-CG 4.24Å; E143-R296 PolarHBondContact N-O 2.91Å; E143-R296 PolarHBondContact O-N 3.49Å; E143-R296 IonicContact OE2-CZ 2.61Å; E143-R296 IonicContact OE2-NH1 2.71Å; E143-R296 PolarHBondContact OE2-NH1 3.09Å; T145-R296 HydrophobicContact CG2-CG 4.16Å; R296-K298 PolarHBondContact O-N 3.13Å; R296-Y343 PolarHBondContact NH1-OH 2.8Å; R296-Y343 PolarHBondContact NH2-OH 3.18Å
297	C	96.6	Very high	96.6	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.02	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	133.5	173.8	-66.2	0	0	0	0	110.9	P52 C299 C306 L313	P52-C297 HydrophobicContact CG-CB 4.21Å; C297-C299 PolarHBondContact O-N 2.85Å; C297-C299 VanDerWaalsContact O-N 3.08Å; C297-C306 HydrophobicContact CB-CB 3.78Å; C297-C306 WeakPolarHBondContact CB-SG 3.13Å; C297-C306 WeakPolarHBondContact SG-CB 3.44Å; C297-C306 CovalentContact SG-SG 2.04Å; C297-C306 PolarHBondContact SG-SG 2.95Å; C297-L313 WeakPolarHBondContact SG-CD2 3.33Å; C297-L313 VanDerWaalsContact SG-CG 3.52Å
298	K	97.8	Very high	96.5	Very high	21 Å²	21	30.7 Å²	30.7	9%	0.091	15%	0.15	C	C	.	.			trans	-68.9	106.9	167.2	-171	174.5	-168.9	164.6	0	109.3	K140 T141 E143 D255 T258 R296 C315 D325	K140-K298 PolarHBondContact NZ-O 3.2Å; T141-K298 HydrophobicContact CG2-CB 3.91Å; T141-K298 HydrophobicContact CG2-CD 3.49Å; T141-K298 VanDerWaalsContact CG2-CD 3.49Å; T141-K298 HydrophobicContact CG2-CG 4.34Å; T141-K298 WeakPolarHBondContact O-CB 3.23Å; T141-K298 PolarHBondContact O-N 2.94Å; E143-K298 HydrophobicContact CG-CB 4.02Å; E143-K298 HydrophobicContact CG-CG 4.19Å; D255-K298 IonicContact OD1-NZ 3.55Å; T258-K298 HydrophobicContact CG2-CD 3.91Å; R296-K298 PolarHBondContact O-N 3.13Å; K298-C315 PolarHBondContact O-SG 3.42Å; K298-C315 VanDerWaalsContact O-SG 3.33Å; K298-D325 WeakPolarHBondContact O-CA 3.46Å; K298-D325 WeakPolarHBondContact O-CB 3.43Å
299	C	97.9	Very high	96.2	Very high	3 Å²	3	35 Å²	35	2%	0.02	17%	0.174	C	C	.	.			trans	-118.5	15.4	176.1	-54	0	0	0	0	112.5	P52 C297 L301 H302 A303 C315 D325	P52-C299 HydrophobicContact CG-CB 4.43Å; P52-C299 VanDerWaalsContact CG-SG 3.55Å; C297-C299 PolarHBondContact O-N 2.85Å; C297-C299 VanDerWaalsContact O-N 3.08Å; C299-L301 PolarHBondContact O-N 2.86Å; C299-L301 VanDerWaalsContact O-N 3.09Å; C299-H302 PolarHBondContact O-N 3.16Å; C299-A303 HydrophobicContact CB-CB 3.75Å; C299-C315 WeakPolarHBondContact CA-SG 3.14Å; C299-C315 HydrophobicContact CB-CB 3.83Å; C299-C315 WeakPolarHBondContact CB-SG 3.41Å; C299-C315 WeakPolarHBondContact SG-CB 3.45Å; C299-C315 CovalentContact SG-SG 2.04Å; C299-C315 PolarHBondContact SG-SG 3.33Å; C299-D325 CarbonylContact C-O 2.85Å; C299-D325 VanDerWaalsContact C-O 3.28Å; C299-D325 WeakPolarHBondContact CA-O 3.48Å
300	N	97.5	Very high	95.8	Very high	22 Å²	22	40.8 Å²	40.8	12%	0.118	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	35	179.6	-67.1	-65.4	0	0	0	113.8	H302 D325 W338 P340 G341	N300-H302 VanDerWaalsContact C-N 3.33Å; N300-H302 PolarHBondContact O-CD2 3.3Å; N300-H302 PolarHBondContact O-N 3.15Å; N300-H302 PolarHBondContact O-NE2 3.28Å; N300-D325 PolarHBondContact ND2-O 3.36Å; N300-W338 HydrophobicContact CB-CH2 4.3Å; N300-W338 HydrophobicContact CB-CZ2 3.78Å; N300-P340 HydrophobicContact CB-CB 4Å; N300-G341 PolarHBondContact O-N 2.93Å
301	L	97.3	Very high	95.4	Very high	13 Å²	13	43 Å²	43	7%	0.068	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	29.9	-176.3	-61.6	176.6	0	0	0	115.6	A49 C50 Q51 C299 G341 Y343	A49-L301 HydrophobicContact CB-CB 4.27Å; A49-L301 HydrophobicContact CB-CD1 4.35Å; C50-L301 PolarHBondContact N-O 2.91Å; C50-L301 VanDerWaalsContact N-O 3.16Å; C50-L301 CarbonylContact O-C 3.48Å; C50-L301 WeakPolarHBondContact O-CA 3.02Å; Q51-L301 HydrophobicContact CB-CD2 3.84Å; C299-L301 PolarHBondContact O-N 2.86Å; C299-L301 VanDerWaalsContact O-N 3.09Å; L301-G341 WeakPolarHBondContact CD1-O 3.07Å; L301-Y343 HydrophobicContact CD1-CD1 3.97Å; L301-Y343 HydrophobicContact CD1-CD2 4.16Å; L301-Y343 HydrophobicContact CD1-CE1 3.94Å; L301-Y343 HydrophobicContact CD1-CE2 4.08Å; L301-Y343 HydrophobicContact CD1-CG 4.1Å; L301-Y343 HydrophobicContact CD2-CD1 4.21Å; L301-Y343 HydrophobicContact CD2-CE1 3.56Å; L301-Y343 HydrophobicContact CG-CE1 4.36Å
302	H	98.2	Very high	95.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-124.7	16.8	178.3	-51.6	-75.7	0	0	0	115.3	C50 C299 N300 E318 H319 T321 C326 W338 S339 G341 A351	C50-H302 PolarHBondContact O-N 3.16Å; C50-H302 VanDerWaalsContact SG-C 3.53Å; C299-H302 PolarHBondContact O-N 3.16Å; N300-H302 VanDerWaalsContact C-N 3.33Å; N300-H302 PolarHBondContact O-CD2 3.3Å; N300-H302 PolarHBondContact O-N 3.15Å; N300-H302 PolarHBondContact O-NE2 3.28Å; H302-E318 WeakPolarHBondContact O-CB 3.46Å; H302-E318 PolarHBondContact O-N 3.17Å; H302-H319 WeakPolarHBondContact CA-ND1 3.26Å; H302-H319 HydrophobicContact CB-CB 4.18Å; H302-H319 AromaticContact CG-ND1 3.72Å; H302-H319 WeakPolarHBondContact ND1-CB 3.45Å; H302-H319 AromaticContact ND1-CG 3.62Å; H302-H319 AromaticContact ND1-ND1 3.09Å; H302-H319 PolarHBondContact ND1-ND1 2.92Å; H302-T321 HydrophobicContact CB-CG2 4.26Å; H302-C326 HydrophobicContact CB-CB 3.93Å; H302-W338 AromaticContact NE2-NE1 3.83Å; H302-S339 PolarHBondContact NE2-O 2.95Å; H302-G341 PolarHBondContact CE1-N 2.83Å; H302-G341 PolarHBondContact NE2-N 3.35Å; H302-A351 PolarHBondContact CE1-O 2.63Å; H302-A351 PolarHBondContact ND1-O 2.84Å
303	A	97.8	Very high	94.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.			trans	-156.7	146.9	172.8	0	0	0	0	0	111.1	C50 Q51 P52 C299 C315 E316	C50-A303 CarbonylContact C-O 3.54Å; C50-A303 PolarHBondContact O-N 3Å; C50-A303 PolarHBondContact SG-N 3.19Å; C50-A303 VanDerWaalsContact SG-N 3.36Å; Q51-A303 CarbonylContact C-O 3.43Å; Q51-A303 WeakPolarHBondContact CA-O 3.29Å; Q51-A303 PolarHBondContact N-O 3.14Å; P52-A303 WeakPolarHBondContact CD-O 3.48Å; C299-A303 HydrophobicContact CB-CB 3.75Å; A303-C315 HydrophobicContact CB-CB 4.07Å; A303-E316 WeakPolarHBondContact CB-O 3.29Å
304	T	96.7	Very high	94.8	Very high	46 Å²	46	46.6 Å²	46.6	28%	0.282	24%	0.239	S	C	.	.	S	Bend	trans	-105.5	-20	172.9	51	0	0	0	0	112.3	D31 C50 P52	D31-T304 VanDerWaalsContact C-CG2 3.49Å; D31-T304 WeakPolarHBondContact O-CG2 3.43Å; C50-T304 HydrophobicContact CB-CG2 3.63Å; P52-T304 VanDerWaalsContact CA-O 3.25Å; P52-T304 WeakPolarHBondContact CA-O 3.49Å; P52-T304 WeakPolarHBondContact CB-O 3.36Å
305	V	94.9	Very high	94.8	Very high	69 Å²	69	40.8 Å²	40.8	42%	0.418	22%	0.219	S	C	.	.			trans	-109.2	134.2	-179.2	-176.4	0	0	0	0	109.5	V307 E316	V305-V307 HydrophobicContact CG1-CG2 3.95Å; V305-E316 HydrophobicContact CB-CB 4.17Å; V305-E316 PolarHBondContact O-N 3.31Å
306	C	94.8	Very high	94.8	Very high	34 Å²	34	46.2 Å²	46.2	23%	0.23	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	113.6	172.2	-157.2	0	0	0	0	108.2	C297 L313 T314	C297-C306 HydrophobicContact CB-CB 3.78Å; C297-C306 WeakPolarHBondContact CB-SG 3.13Å; C297-C306 WeakPolarHBondContact SG-CB 3.44Å; C297-C306 CovalentContact SG-SG 2.04Å; C297-C306 PolarHBondContact SG-SG 2.95Å; C306-L313 HydrophobicContact CB-CD1 4.38Å; C306-L313 VanDerWaalsContact SG-CG 3.52Å; C306-T314 CarbonylContact C-O 3.49Å; C306-T314 WeakPolarHBondContact CA-O 3.48Å; C306-T314 PolarHBondContact SG-O 2.75Å
307	V	94.3	Very high	94.9	Very high	61 Å²	61	46 Å²	46	37%	0.37	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131.8	-173.2	-176.4	0	0	0	0	109.2	V305 D309 T314	V305-V307 HydrophobicContact CG1-CG2 3.95Å; V307-D309 HydrophobicContact CG1-CB 4.43Å; V307-T314 PolarHBondContact N-O 3.31Å; V307-T314 PolarHBondContact O-N 3.32Å; V307-T314 PolarHBondContact O-OG1 2.7Å
308	Y	93.7	Very high	95	Very high	105 Å²	105	48.7 Å²	48.7	41%	0.412	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	104.6	171	-173.5	-111	0	0	0	109.1	Y60 S311 L313	Y60-Y308 HydrophobicContact CD1-CD1 4.29Å; Y60-Y308 AromaticContact CD1-CD2 3.6Å; Y60-Y308 HydrophobicContact CD1-CD2 3.6Å; Y60-Y308 AromaticContact CD1-CE2 3.99Å; Y60-Y308 HydrophobicContact CD1-CE2 3.99Å; Y60-Y308 AromaticContact CD1-CG 3.76Å; Y60-Y308 HydrophobicContact CD1-CG 3.76Å; Y60-Y308 HydrophobicContact CE1-CD2 4.35Å; Y60-Y308 HydrophobicContact CE1-CG 4.08Å; Y60-Y308 HydrophobicContact CG-CD2 4.39Å; Y308-S311 WeakPolarHBondContact OH-CA 3.23Å; Y308-L313 HydrophobicContact CD2-CB 4.2Å; Y308-L313 HydrophobicContact CD2-CD1 4.27Å
309	D	90.5	Very high	95	Very high	92 Å²	92	47.7 Å²	47.7	49%	0.492	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142	179.8	179.9	35.2	0	0	0	110.2	V307 S311 K312	V307-D309 HydrophobicContact CG1-CB 4.43Å; D309-S311 PolarHBondContact O-N 3.44Å; D309-S311 VanDerWaalsContact O-N 3.14Å; D309-K312 PolarHBondContact N-O 3.32Å; D309-K312 CarbonylContact O-C 3.47Å; D309-K312 WeakPolarHBondContact O-CA 3.43Å; D309-K312 PolarHBondContact O-N 3.11Å
310	N	87.5	Confident	95	Very high	138 Å²	138	49.2 Å²	49.2	74%	0.738	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	42.2	178.2	-68.2	-59	0	0	0	114.2	K312	N310-K312 PolarHBondContact O-N 3.45Å
311	S	87.1	Confident	95	Very high	58 Å²	58	48.1 Å²	48.1	41%	0.406	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	25.7	-175.4	76.4	0	0	0	0	115.3	K62 Y308 D309	K62-S311 PolarHBondContact NZ-OG 3.48Å; Y308-S311 WeakPolarHBondContact OH-CA 3.23Å; D309-S311 PolarHBondContact O-N 3.44Å; D309-S311 VanDerWaalsContact O-N 3.14Å
312	K	89.4	Confident	95	Very high	99 Å²	99	50.6 Å²	50.6	43%	0.43	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	130.3	-179.9	-170.5	176.5	-178.2	175	0	111	D309 N310 T314	D309-K312 PolarHBondContact N-O 3.32Å; D309-K312 CarbonylContact O-C 3.47Å; D309-K312 WeakPolarHBondContact O-CA 3.43Å; D309-K312 PolarHBondContact O-N 3.11Å; N310-K312 PolarHBondContact O-N 3.45Å; K312-T314 HydrophobicContact CD-CG2 4.31Å; K312-T314 HydrophobicContact CG-CG2 4.16Å
313	L	93.3	Very high	94.9	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.1	176.4	-165.7	63.3	0	0	0	109.7	M57 Y60 K140 C297 C306 Y308	M57-L313 HydrophobicContact SD-CD2 4.3Å; Y60-L313 HydrophobicContact CD1-CD1 4.44Å; Y60-L313 HydrophobicContact CD2-CD2 4.22Å; Y60-L313 HydrophobicContact CG-CD2 4.31Å; K140-L313 HydrophobicContact CB-CB 4.09Å; K140-L313 WeakPolarHBondContact CB-O 2.99Å; K140-L313 WeakPolarHBondContact CD-O 3.47Å; K140-L313 HydrophobicContact CG-CB 4.09Å; K140-L313 HydrophobicContact CG-CD2 4.49Å; K140-L313 HydrophobicContact CG-CG 4.4Å; K140-L313 WeakPolarHBondContact CG-O 3.35Å; C297-L313 WeakPolarHBondContact SG-CD2 3.33Å; C297-L313 VanDerWaalsContact SG-CG 3.52Å; C306-L313 HydrophobicContact CB-CD1 4.38Å; C306-L313 VanDerWaalsContact SG-CG 3.52Å; Y308-L313 HydrophobicContact CD2-CB 4.2Å; Y308-L313 HydrophobicContact CD2-CD1 4.27Å
314	T	95.7	Very high	94.8	Very high	47 Å²	47	55 Å²	55	29%	0.288	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	144.5	-177.3	56.8	0	0	0	0	112.5	C306 V307 K312	C306-T314 CarbonylContact C-O 3.49Å; C306-T314 WeakPolarHBondContact CA-O 3.48Å; C306-T314 PolarHBondContact SG-O 2.75Å; V307-T314 PolarHBondContact N-O 3.31Å; V307-T314 PolarHBondContact O-N 3.32Å; V307-T314 PolarHBondContact O-OG1 2.7Å; K312-T314 HydrophobicContact CD-CG2 4.31Å; K312-T314 HydrophobicContact CG-CG2 4.16Å
315	C	97.6	Very high	94.8	Very high	12 Å²	12	54 Å²	54	8%	0.081	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	136.7	177.9	-60.2	0	0	0	0	111.7	K298 C299 A303 C317 P324 C326	K298-C315 PolarHBondContact O-SG 3.42Å; K298-C315 VanDerWaalsContact O-SG 3.33Å; C299-C315 WeakPolarHBondContact CA-SG 3.14Å; C299-C315 HydrophobicContact CB-CB 3.83Å; C299-C315 WeakPolarHBondContact CB-SG 3.41Å; C299-C315 WeakPolarHBondContact SG-CB 3.45Å; C299-C315 CovalentContact SG-SG 2.04Å; C299-C315 PolarHBondContact SG-SG 3.33Å; A303-C315 HydrophobicContact CB-CB 4.07Å; C315-C317 PolarHBondContact O-N 3.07Å; C315-C317 VanDerWaalsContact O-N 3.17Å; C315-P324 WeakPolarHBondContact CB-O 3.28Å; C315-P324 PolarHBondContact N-O 2.78Å; C315-P324 PolarHBondContact SG-O 2.64Å; C315-C326 WeakPolarHBondContact CB-SG 3.42Å
316	E	97.3	Very high	95	Very high	114 Å²	114	50.8 Å²	50.8	53%	0.533	28%	0.281	S	S	.	.			trans	-82.5	88.2	168.5	-168.3	176.8	162.1	0	0	109.7	A303 V305 E318	A303-E316 WeakPolarHBondContact CB-O 3.29Å; V305-E316 HydrophobicContact CB-CB 4.17Å; V305-E316 PolarHBondContact O-N 3.31Å; E316-E318 PolarHBondContact O-N 2.77Å
317	C	97.9	Very high	95.1	Very high	24 Å²	24	50.6 Å²	50.6	16%	0.162	28%	0.284	C	S	.	.			trans	-70.5	125.2	-166.6	-63.8	0	0	0	0	115	C315 T321 G323 C326	C315-C317 PolarHBondContact O-N 3.07Å; C315-C317 VanDerWaalsContact O-N 3.17Å; C317-T321 WeakPolarHBondContact CB-O 3.13Å; C317-T321 WeakPolarHBondContact CB-OG1 3.32Å; C317-G323 PolarHBondContact SG-O 3.09Å; C317-C326 WeakPolarHBondContact CA-SG 3.19Å; C317-C326 HydrophobicContact CB-CB 3.96Å; C317-C326 WeakPolarHBondContact CB-SG 3.36Å; C317-C326 WeakPolarHBondContact SG-CA 3.49Å; C317-C326 WeakPolarHBondContact SG-CB 3.48Å; C317-C326 CovalentContact SG-SG 2.05Å; C317-C326 PolarHBondContact SG-SG 3.22Å
318	E	97.7	Very high	95.3	Very high	59 Å²	59	54.7 Å²	54.7	28%	0.276	30%	0.297	S	S	.	.			trans	-98.8	-165.2	170.9	-74.4	-77.2	-166.5	0	0	110.8	C33 K34 H302 E316 N320 T321	C33-E318 HydrophobicContact CB-CB 3.98Å; C33-E318 HydrophobicContact CB-CG 4.02Å; K34-E318 IonicContact NZ-OE1 2.72Å; K34-E318 PolarHBondContact NZ-OE1 3.42Å; K34-E318 IonicContact NZ-OE2 2.87Å; K34-E318 PolarHBondContact NZ-OE2 3.33Å; H302-E318 WeakPolarHBondContact O-CB 3.46Å; H302-E318 PolarHBondContact O-N 3.17Å; E316-E318 PolarHBondContact O-N 2.77Å; E318-N320 PolarHBondContact O-N 3.11Å; E318-T321 WeakPolarHBondContact O-CB 3.45Å; E318-T321 PolarHBondContact O-N 3.45Å; E318-T321 PolarHBondContact O-OG1 2.97Å
319	H	97.5	Very high	95.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	24.9	172.7	-58.5	157	0	0	0	114.7	C33 Y47 M48 C50 H302 T321 T353 C354	C33-H319 PolarHBondContact O-NE2 2.82Å; Y47-H319 AromaticContact CD1-CD2 3.63Å; M48-H319 PolarHBondContact O-CE1 3.04Å; M48-H319 PolarHBondContact O-NE2 3.12Å; C50-H319 VanDerWaalsContact SG-CE1 3.57Å; H302-H319 WeakPolarHBondContact CA-ND1 3.26Å; H302-H319 HydrophobicContact CB-CB 4.18Å; H302-H319 AromaticContact CG-ND1 3.72Å; H302-H319 WeakPolarHBondContact ND1-CB 3.45Å; H302-H319 AromaticContact ND1-CG 3.62Å; H302-H319 AromaticContact ND1-ND1 3.09Å; H302-H319 PolarHBondContact ND1-ND1 2.92Å; H319-T321 HydrophobicContact CB-CG2 4.26Å; H319-T321 PolarHBondContact O-N 3.47Å; H319-T353 HydrophobicContact CB-CG2 3.83Å; H319-C354 PolarHBondContact O-N 3.09Å
320	N	97.6	Very high	95.8	Very high	34 Å²	34	50.1 Å²	50.1	18%	0.182	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	29.8	-173.2	-54.7	-44.2	0	0	0	113.8	E318 K330 Y333 C354	E318-N320 PolarHBondContact O-N 3.11Å; N320-K330 WeakPolarHBondContact O-CB 3.24Å; N320-K330 WeakPolarHBondContact O-CG 3.23Å; N320-K330 PolarHBondContact O-N 2.9Å; N320-Y333 HydrophobicContact CB-CD1 3.58Å; N320-Y333 HydrophobicContact CB-CD2 4.18Å; N320-Y333 HydrophobicContact CB-CE1 4.01Å; N320-Y333 HydrophobicContact CB-CG 3.67Å; N320-Y333 VanDerWaalsContact CG-CD1 3.49Å; N320-Y333 WeakPolarHBondContact ND2-CD1 3.43Å; N320-Y333 WeakPolarHBondContact ND2-CE1 3.34Å; N320-C354 HydrophobicContact CB-CB 3.99Å; N320-C354 PolarHBondContact ND2-O 2.92Å
321	T	98.3	Very high	96.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	165.9	177.1	64.6	0	0	0	0	112.2	H302 C317 E318 H319 C326 K328 K330	H302-T321 HydrophobicContact CB-CG2 4.26Å; C317-T321 WeakPolarHBondContact CB-O 3.13Å; C317-T321 WeakPolarHBondContact CB-OG1 3.32Å; E318-T321 WeakPolarHBondContact O-CB 3.45Å; E318-T321 PolarHBondContact O-N 3.45Å; E318-T321 PolarHBondContact O-OG1 2.97Å; H319-T321 HydrophobicContact CB-CG2 4.26Å; H319-T321 PolarHBondContact O-N 3.47Å; T321-C326 WeakPolarHBondContact OG1-CB 3.45Å; T321-K328 CarbonylContact C-O 3.41Å; T321-K328 VanDerWaalsContact CA-O 3.23Å; T321-K328 WeakPolarHBondContact CA-O 3.48Å; T321-K328 WeakPolarHBondContact CB-O 3.34Å; T321-K330 WeakPolarHBondContact O-CE 3.46Å
322	T	97.7	Very high	96.6	Very high	65 Å²	65	54.6 Å²	54.6	40%	0.399	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	174.5	-179.8	-166.9	0	0	0	0	111.2	C326 G327 K328 K330	T322-C326 CarbonylContact O-C 3.54Å; T322-C326 WeakPolarHBondContact O-CA 3.38Å; T322-G327 PolarHBondContact O-N 2.94Å; T322-K328 HydrophobicContact CG2-CB 4.28Å; T322-K328 PolarHBondContact N-O 2.82Å; T322-K328 PolarHBondContact O-N 3.11Å; T322-K330 HydrophobicContact CG2-CG 4.35Å
323	G	96.1	Very high	96.9	Very high	33 Å²	33	53.6 Å²	53.6	34%	0.34	28%	0.282	S	S	.	.	S	Bend	trans	91.4	171.3	-172.8	0	0	0	0	0	112.7	C317 D325 C326	C317-G323 PolarHBondContact SG-O 3.09Å; G323-D325 VanDerWaalsContact C-N 3.27Å; G323-D325 PolarHBondContact O-N 3.47Å; G323-C326 PolarHBondContact O-N 2.85Å
324	P	95.6	Very high	97	Very high	60 Å²	60	59.5 Å²	59.5	39%	0.39	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-32.2	-171.5	25.1	-34.6	0	0	0	113.6	K140 C315	K140-P324 VanDerWaalsContact CE-O 3.23Å; K140-P324 WeakPolarHBondContact CE-O 3.45Å; C315-P324 WeakPolarHBondContact CB-O 3.28Å; C315-P324 PolarHBondContact N-O 2.78Å; C315-P324 PolarHBondContact SG-O 2.64Å
325	D	97.3	Very high	96.9	Very high	25 Å²	25	59 Å²	59	13%	0.134	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	12.4	-178.2	-60.4	-12.1	0	0	0	111.9	K140 T141 K298 C299 N300 G323 G327	K140-D325 VanDerWaalsContact CE-OD1 3.27Å; K140-D325 WeakPolarHBondContact CE-OD1 3.23Å; K140-D325 IonicContact NZ-OD1 3.84Å; K140-D325 PolarHBondContact NZ-OD1 3.33Å; T141-D325 VanDerWaalsContact CB-OD2 3.23Å; T141-D325 WeakPolarHBondContact CB-OD2 3.23Å; T141-D325 PolarHBondContact OG1-OD2 2.79Å; K298-D325 WeakPolarHBondContact O-CA 3.46Å; K298-D325 WeakPolarHBondContact O-CB 3.43Å; C299-D325 CarbonylContact C-O 2.85Å; C299-D325 VanDerWaalsContact C-O 3.28Å; C299-D325 WeakPolarHBondContact CA-O 3.48Å; N300-D325 PolarHBondContact ND2-O 3.36Å; G323-D325 VanDerWaalsContact C-N 3.27Å; G323-D325 PolarHBondContact O-N 3.47Å; D325-G327 PolarHBondContact O-N 2.91Å
326	C	98.1	Very high	96.8	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	58.5	28.7	-172.6	-49	0	0	0	0	114	H302 C315 C317 T321 T322 G323 K328 W338	H302-C326 HydrophobicContact CB-CB 3.93Å; C315-C326 WeakPolarHBondContact CB-SG 3.42Å; C317-C326 WeakPolarHBondContact CA-SG 3.19Å; C317-C326 HydrophobicContact CB-CB 3.96Å; C317-C326 WeakPolarHBondContact CB-SG 3.36Å; C317-C326 WeakPolarHBondContact SG-CA 3.49Å; C317-C326 WeakPolarHBondContact SG-CB 3.48Å; C317-C326 CovalentContact SG-SG 2.05Å; C317-C326 PolarHBondContact SG-SG 3.22Å; T321-C326 WeakPolarHBondContact OG1-CB 3.45Å; T322-C326 CarbonylContact O-C 3.54Å; T322-C326 WeakPolarHBondContact O-CA 3.38Å; G323-C326 PolarHBondContact O-N 2.85Å; C326-K328 VanDerWaalsContact C-N 3.3Å; C326-K328 PolarHBondContact O-N 3.11Å; C326-W338 PolarHBondContact O-NE1 2.92Å
327	G	97.3	Very high	96.8	Very high	30 Å²	30	62.8 Å²	62.8	31%	0.309	34%	0.336	S	S	.	.			trans	-84	11.1	-174.8	0	0	0	0	0	115.9	T322 D325	T322-G327 PolarHBondContact O-N 2.94Å; D325-G327 PolarHBondContact O-N 2.91Å
328	K	97.6	Very high	96.8	Very high	147 Å²	147	65.8 Å²	65.8	64%	0.639	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.1	-178.2	-63.8	-175.4	-177.9	179.7	0	110.6	T321 T322 C326	T321-K328 CarbonylContact C-O 3.41Å; T321-K328 VanDerWaalsContact CA-O 3.23Å; T321-K328 WeakPolarHBondContact CA-O 3.48Å; T321-K328 WeakPolarHBondContact CB-O 3.34Å; T322-K328 HydrophobicContact CG2-CB 4.28Å; T322-K328 PolarHBondContact N-O 2.82Å; T322-K328 PolarHBondContact O-N 3.11Å; C326-K328 VanDerWaalsContact C-N 3.3Å; C326-K328 PolarHBondContact O-N 3.11Å
329	C	98.2	Very high	96.7	Very high	19 Å²	19	64.8 Å²	64.8	13%	0.128	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	146.5	169.6	-65.4	0	0	0	0	111.8	Y333 Q334 C354	C329-Y333 VanDerWaalsContact CB-O 3.3Å; C329-Y333 WeakPolarHBondContact CB-O 3.15Å; C329-Q334 HydrophobicContact CB-CG 4.28Å; C329-C354 WeakPolarHBondContact CA-SG 3.17Å; C329-C354 HydrophobicContact CB-CB 3.66Å; C329-C354 WeakPolarHBondContact CB-SG 3.11Å; C329-C354 WeakPolarHBondContact SG-CB 3.25Å; C329-C354 CovalentContact SG-SG 2.04Å; C329-C354 PolarHBondContact SG-SG 3.35Å
330	K	97.7	Very high	96.7	Very high	82 Å²	82	66.6 Å²	66.6	36%	0.357	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-60.4	154.9	170	-72.4	178.5	-171.7	-179.2	0	110.4	N320 T321 T322 N332 Y333	N320-K330 WeakPolarHBondContact O-CB 3.24Å; N320-K330 WeakPolarHBondContact O-CG 3.23Å; N320-K330 PolarHBondContact O-N 2.9Å; T321-K330 WeakPolarHBondContact O-CE 3.46Å; T322-K330 HydrophobicContact CG2-CG 4.35Å; K330-N332 PolarHBondContact O-N 3.25Å; K330-Y333 HydrophobicContact CB-CD2 4.11Å; K330-Y333 PolarHBondContact O-N 3.15Å
331	K	94.9	Very high	96.6	Very high	185 Å²	185	65.2 Å²	65.2	80%	0.804	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	139.2	168.5	-63.8	-178.4	-177.2	178.7	0	108.5	Y333	K331-Y333 VanDerWaalsContact C-N 3.26Å; K331-Y333 PolarHBondContact O-N 3.16Å
332	N	95.1	Very high	96.5	Very high	106 Å²	106	66.3 Å²	66.3	57%	0.567	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	0.8	-174.5	-45.5	-31.7	0	0	0	116.3	K330 P356 S357 S360	K330-N332 PolarHBondContact O-N 3.25Å; N332-P356 CarbonylContact O-C 3.35Å; N332-P356 VanDerWaalsContact O-CA 3.3Å; N332-P356 WeakPolarHBondContact O-CA 3.41Å; N332-S357 PolarHBondContact O-N 2.93Å; N332-S357 PolarHBondContact O-OG 3.49Å; N332-S360 PolarHBondContact O-OG 3.32Å
333	Y	95.9	Very high	96.3	Very high	78 Å²	78	63.8 Å²	63.8	31%	0.306	34%	0.34	S	S	.	.			trans	-115.8	42.8	174.3	-71	-93.6	0	0	0	111.6	N320 C329 K330 K331 C354 I355 P356	N320-Y333 HydrophobicContact CB-CD1 3.58Å; N320-Y333 HydrophobicContact CB-CD2 4.18Å; N320-Y333 HydrophobicContact CB-CE1 4.01Å; N320-Y333 HydrophobicContact CB-CG 3.67Å; N320-Y333 VanDerWaalsContact CG-CD1 3.49Å; N320-Y333 WeakPolarHBondContact ND2-CD1 3.43Å; N320-Y333 WeakPolarHBondContact ND2-CE1 3.34Å; C329-Y333 VanDerWaalsContact CB-O 3.3Å; C329-Y333 WeakPolarHBondContact CB-O 3.15Å; K330-Y333 HydrophobicContact CB-CD2 4.11Å; K330-Y333 PolarHBondContact O-N 3.15Å; K331-Y333 VanDerWaalsContact C-N 3.26Å; K331-Y333 PolarHBondContact O-N 3.16Å; Y333-C354 WeakPolarHBondContact O-CB 3.35Å; Y333-I355 CarbonylContact C-O 3.59Å; Y333-I355 WeakPolarHBondContact CA-O 3.44Å; Y333-I355 VanDerWaalsContact O-O 3.13Å; Y333-P356 HydrophobicContact CD1-CG 4Å; Y333-P356 HydrophobicContact CE1-CG 3.85Å
334	Q	95.7	Very high	96.1	Very high	129 Å²	129	65.5 Å²	65.5	60%	0.603	34%	0.341	S	S	*	.			trans	-111.2	29.4	-175.4	-60.8	168.5	-65.9	0	0	111.7	C329 R336 I355 S357	C329-Q334 HydrophobicContact CB-CG 4.28Å; Q334-R336 PolarHBondContact O-N 3.2Å; Q334-I355 PolarHBondContact N-O 3.15Å; Q334-S357 PolarHBondContact N-OG 2.9Å
335	G	94.6	Very high	96	Very high	36 Å²	36	66.9 Å²	66.9	37%	0.371	35%	0.35	S	S	.	.	S	Bend	trans	-65.4	-20.1	175.6	0	0	0	0	0	113.6	I355 P356	G335-I355 PolarHBondContact N-O 3.25Å; G335-P356 WeakPolarHBondContact CA-O 3.36Å
336	R	94.7	Very high	95.4	Very high	91 Å²	91	69.2 Å²	69.2	34%	0.343	36%	0.362	S	S	.	.	S	Bend	trans	-140.6	160.4	169.4	66.6	171.4	174	-171.4	-1.1	111.4	Q334 N352 T353 I355	Q334-R336 PolarHBondContact O-N 3.2Å; R336-N352 VanDerWaalsContact NH2-C 3.31Å; R336-T353 VanDerWaalsContact CZ-O 3.26Å; R336-T353 PolarHBondContact NE-O 2.88Å; R336-T353 PolarHBondContact NH2-O 3.21Å; R336-I355 HydrophobicContact CG-CB 4.35Å; R336-I355 HydrophobicContact CG-CD1 3.94Å; R336-I355 HydrophobicContact CG-CG1 4.05Å
337	P	96.4	Very high	95	Very high	114 Å²	114	73.5 Å²	73.5	74%	0.74	39%	0.39	S	S	*	.			trans	-57.1	149.7	170.9	-23.3	34.3	0	0	0	112.1
338	W	98	Very high	94.6	Very high	87 Å²	87	76.7 Å²	76.7	33%	0.33	40%	0.395	S	S	.	.			trans	-67.7	142.3	174.4	175.2	87.8	0	0	0	110.9	N300 H302 C326 P340	N300-W338 HydrophobicContact CB-CH2 4.3Å; N300-W338 HydrophobicContact CB-CZ2 3.78Å; H302-W338 AromaticContact NE2-NE1 3.83Å; C326-W338 PolarHBondContact O-NE1 2.92Å; W338-P340 HydrophobicContact CH2-CB 4Å; W338-P340 HydrophobicContact CH2-CG 4.31Å; W338-P340 HydrophobicContact CZ2-CB 4.15Å
339	S	96.8	Very high	94.4	Very high	39 Å²	39	70.1 Å²	70.1	27%	0.273	37%	0.369	S	S	.	.			trans	-146.5	140.5	174	49.8	0	0	0	0	108.6	H302 N352	H302-S339 PolarHBondContact NE2-O 2.95Å; S339-N352 WeakPolarHBondContact OG-CB 3.37Å
340	P	97	Very high	94.3	Very high	38 Å²	38	71.7 Å²	71.7	25%	0.247	38%	0.378	C	S	.	.			trans	-63	159	175.4	30.5	-36.1	0	0	0	110.4	N300 W338 N352	N300-P340 HydrophobicContact CB-CB 4Å; W338-P340 HydrophobicContact CH2-CB 4Å; W338-P340 HydrophobicContact CH2-CG 4.31Å; W338-P340 HydrophobicContact CZ2-CB 4.15Å; P340-N352 WeakPolarHBondContact O-CB 3.43Å; P340-N352 PolarHBondContact O-ND2 3.5Å
341	G	96.7	Very high	94.2	Very high	5 Å²	5	68 Å²	68	5%	0.052	36%	0.363	C	S	.	.			trans	-61.9	168.4	163.8	0	0	0	0	0	111.4	N300 L301 H302 T350	N300-G341 PolarHBondContact O-N 2.93Å; L301-G341 WeakPolarHBondContact CD1-O 3.07Å; H302-G341 PolarHBondContact CE1-N 2.83Å; H302-G341 PolarHBondContact NE2-N 3.35Å; G341-T350 CarbonylContact C-O 3.5Å; G341-T350 WeakPolarHBondContact CA-O 3.37Å
342	S	95.3	Very high	94.3	Very high	24 Å²	24	61.7 Å²	61.7	17%	0.168	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-131.9	145.8	174.8	153.9	0	0	0	0	109.8	A49 D248 L344 G349 T350	A49-S342 VanDerWaalsContact CB-O 3.3Å; A49-S342 WeakPolarHBondContact CB-O 3.47Å; D248-S342 VanDerWaalsContact CG-OG 3.32Å; D248-S342 WeakPolarHBondContact OD2-CB 3.24Å; D248-S342 PolarHBondContact OD2-OG 3.11Å; S342-L344 PolarHBondContact O-N 2.9Å; S342-L344 PolarHBondContact OG-N 2.63Å; S342-L344 VanDerWaalsContact OG-N 3.08Å; S342-L344 PolarHBondContact OG-O 2.96Å; S342-G349 CarbonylContact O-C 3.51Å; S342-G349 VanDerWaalsContact O-CA 3.24Å; S342-G349 WeakPolarHBondContact O-CA 3.49Å; S342-T350 WeakPolarHBondContact CB-OG1 3.05Å; S342-T350 PolarHBondContact N-O 3.32Å; S342-T350 PolarHBondContact O-N 3.32Å
343	Y	93.5	Very high	94.3	Very high	12 Å²	12	58 Å²	58	5%	0.047	32%	0.32	C	S	.	.			trans	-65.2	-21.4	174.3	-64.4	-65.5	0	0	0	112.4	Y30 Q51 Y244 L247 D248 R296 L301 G349	Y30-Y343 AromaticContact CD2-CD1 3.71Å; Y30-Y343 HydrophobicContact CD2-CD1 3.71Å; Y30-Y343 AromaticContact CD2-CE1 3.95Å; Y30-Y343 HydrophobicContact CD2-CE1 3.95Å; Y30-Y343 HydrophobicContact CE1-CD1 4.29Å; Y30-Y343 AromaticContact CE2-CD1 3.33Å; Y30-Y343 HydrophobicContact CE2-CD1 3.33Å; Y30-Y343 AromaticContact CE2-CE1 3.97Å; Y30-Y343 HydrophobicContact CE2-CE1 3.97Å; Y30-Y343 HydrophobicContact CE2-CG 4.32Å; Y30-Y343 HydrophobicContact CG-CD1 4.37Å; Y30-Y343 AromaticContact CZ-CD1 3.66Å; Y30-Y343 PolarHBondContact OH-O 3.41Å; Q51-Y343 VanDerWaalsContact OE1-CE1 3.28Å; Q51-Y343 PolarHBondContact OE1-OH 2.82Å; Y244-Y343 AromaticContact CD1-CD1 3.92Å; Y244-Y343 HydrophobicContact CD1-CD1 3.92Å; Y244-Y343 AromaticContact CD1-CD2 3.74Å; Y244-Y343 HydrophobicContact CD1-CD2 3.74Å; Y244-Y343 HydrophobicContact CD1-CE1 4.05Å; Y244-Y343 AromaticContact CD1-CE2 3.93Å; Y244-Y343 HydrophobicContact CD1-CE2 3.93Å; Y244-Y343 AromaticContact CD1-CG 3.74Å; Y244-Y343 HydrophobicContact CD1-CG 3.74Å; Y244-Y343 HydrophobicContact CD2-CG 4.46Å; Y244-Y343 HydrophobicContact CE1-CD1 4.15Å; Y244-Y343 AromaticContact CE1-CE1 3.99Å; Y244-Y343 HydrophobicContact CE1-CE1 3.99Å; Y244-Y343 HydrophobicContact CE1-CE2 4.49Å; Y244-Y343 HydrophobicContact CE1-CG 4.43Å; Y244-Y343 HydrophobicContact CG-CD1 4.17Å; Y244-Y343 HydrophobicContact CG-CD2 4.06Å; Y244-Y343 AromaticContact CG-CG 3.78Å; Y244-Y343 HydrophobicContact CG-CG 3.78Å; L247-Y343 HydrophobicContact CB-CE2 4.42Å; D248-Y343 VanDerWaalsContact OD1-CD2 3.23Å; D248-Y343 WeakPolarHBondContact OD1-CD2 3.35Å; D248-Y343 PolarHBondContact OD1-N 2.87Å; D248-Y343 PolarHBondContact OD2-N 3.39Å; R296-Y343 PolarHBondContact NH1-OH 2.8Å; R296-Y343 PolarHBondContact NH2-OH 3.18Å; L301-Y343 HydrophobicContact CD1-CD1 3.97Å; L301-Y343 HydrophobicContact CD1-CD2 4.16Å; L301-Y343 HydrophobicContact CD1-CE1 3.94Å; L301-Y343 HydrophobicContact CD1-CE2 4.08Å; L301-Y343 HydrophobicContact CD1-CG 4.1Å; L301-Y343 HydrophobicContact CD2-CD1 4.21Å; L301-Y343 HydrophobicContact CD2-CE1 3.56Å; L301-Y343 HydrophobicContact CG-CE1 4.36Å; Y343-G349 VanDerWaalsContact O-CA 3.29Å; Y343-G349 WeakPolarHBondContact O-CA 3.48Å
344	L	91.9	Very high	94.4	Very high	68 Å²	68	54.5 Å²	54.5	36%	0.356	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-94.6	143.3	-178	-58.8	-178.4	0	0	0	111.8	D248 S342 I346 G349 T350	D248-L344 PolarHBondContact OD2-N 2.84Å; S342-L344 PolarHBondContact O-N 2.9Å; S342-L344 PolarHBondContact OG-N 2.63Å; S342-L344 VanDerWaalsContact OG-N 3.08Å; S342-L344 PolarHBondContact OG-O 2.96Å; L344-I346 HydrophobicContact CD2-CD1 4.2Å; L344-I346 HydrophobicContact CD2-CG1 4.01Å; L344-G349 CarbonylContact O-C 3.57Å; L344-T350 WeakPolarHBondContact O-CG2 3.44Å; L344-T350 PolarHBondContact O-N 2.88Å; L344-T350 PolarHBondContact O-OG1 3.01Å
345	P	92.4	Very high	94.4	Very high	89 Å²	89	51.9 Å²	51.9	58%	0.578	30%	0.296	S	S	*	.	S	Bend	cis	-82	146.3	-3.8	34	-33.4	0	0	0	112.9	K348 G349	P345-K348 PolarHBondContact O-N 2.61Å; P345-G349 WeakPolarHBondContact O-CA 3.26Å; P345-G349 PolarHBondContact O-N 3.15Å
346	I	86.6	Confident	94.4	Very high	75 Å²	75	52.9 Å²	52.9	39%	0.385	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	138.9	177.7	-61.7	169	0	0	0	109.3	A241 L344	A241-I346 VanDerWaalsContact CA-CD1 3.48Å; A241-I346 HydrophobicContact CB-CD1 3.28Å; L344-I346 HydrophobicContact CD2-CD1 4.2Å; L344-I346 HydrophobicContact CD2-CG1 4.01Å
347	P	88.6	Confident	94.3	Very high	89 Å²	89	49.2 Å²	49.2	58%	0.578	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	cis	-97.4	-10.8	9.9	36.4	-35.4	0	0	0	115.7	Y30	Y30-P347 WeakPolarHBondContact CE1-O 3.29Å
348	K	89.8	Confident	93.6	Very high	97 Å²	97	50.8 Å²	50.8	42%	0.422	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-27.2	-171.8	-72.4	-173	169.2	-169.3	0	113.8	D46 M48 A49 P345	D46-K348 IonicContact OD2-NZ 2.73Å; D46-K348 PolarHBondContact OD2-NZ 3.3Å; M48-K348 HydrophobicContact CB-CB 4.16Å; M48-K348 WeakPolarHBondContact CB-O 3.27Å; M48-K348 HydrophobicContact CE-CG 4.29Å; A49-K348 PolarHBondContact N-O 2.85Å; P345-K348 PolarHBondContact O-N 2.61Å
349	G	93.4	Very high	92.2	Very high	10 Å²	10	52.3 Å²	52.3	10%	0.103	31%	0.309	C	S	.	.			trans	65.2	-171	-169.7	0	0	0	0	0	112.8	S342 Y343 L344 P345	S342-G349 CarbonylContact O-C 3.51Å; S342-G349 VanDerWaalsContact O-CA 3.24Å; S342-G349 WeakPolarHBondContact O-CA 3.49Å; Y343-G349 VanDerWaalsContact O-CA 3.29Å; Y343-G349 WeakPolarHBondContact O-CA 3.48Å; L344-G349 CarbonylContact O-C 3.57Å; P345-G349 WeakPolarHBondContact O-CA 3.26Å; P345-G349 PolarHBondContact O-N 3.15Å
350	T	95.3	Very high	90.3	Very high	52 Å²	52	53.2 Å²	53.2	32%	0.319	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-118	124.6	175.6	44.4	0	0	0	0	110.4	G341 S342 L344 N352	G341-T350 CarbonylContact C-O 3.5Å; G341-T350 WeakPolarHBondContact CA-O 3.37Å; S342-T350 WeakPolarHBondContact CB-OG1 3.05Å; S342-T350 PolarHBondContact N-O 3.32Å; S342-T350 PolarHBondContact O-N 3.32Å; L344-T350 WeakPolarHBondContact O-CG2 3.44Å; L344-T350 PolarHBondContact O-N 2.88Å; L344-T350 PolarHBondContact O-OG1 3.01Å; T350-N352 PolarHBondContact O-N 3.37Å
351	A	95.4	Very high	88.5	Confident	5 Å²	5	56.8 Å²	56.8	4%	0.041	33%	0.331	C	S	.	.			trans	-74.1	-24.3	-176.9	0	0	0	0	0	114.3	H302 T353	H302-A351 PolarHBondContact CE1-O 2.63Å; H302-A351 PolarHBondContact ND1-O 2.84Å; A351-T353 VanDerWaalsContact C-N 3.28Å; A351-T353 HydrophobicContact CB-CG2 3.72Å; A351-T353 PolarHBondContact O-N 2.69Å
352	N	96.4	Very high	86.3	Confident	52 Å²	52	59.5 Å²	59.5	28%	0.278	36%	0.359	S	S	.	.			trans	46.1	48	-176.6	-64.4	-28.9	0	0	0	113.9	R336 S339 P340 T350	R336-N352 VanDerWaalsContact NH2-C 3.31Å; S339-N352 WeakPolarHBondContact OG-CB 3.37Å; P340-N352 WeakPolarHBondContact O-CB 3.43Å; P340-N352 PolarHBondContact O-ND2 3.5Å; T350-N352 PolarHBondContact O-N 3.37Å
353	T	96.8	Very high	83.7	Confident	29 Å²	29	65.9 Å²	65.9	18%	0.178	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-61.3	151.7	-173.5	63.3	0	0	0	0	114.1	Y47 H319 R336 A351	Y47-T353 HydrophobicContact CD1-CG2 4.22Å; Y47-T353 HydrophobicContact CD2-CG2 4.08Å; Y47-T353 HydrophobicContact CG-CG2 3.72Å; H319-T353 HydrophobicContact CB-CG2 3.83Å; R336-T353 VanDerWaalsContact CZ-O 3.26Å; R336-T353 PolarHBondContact NE-O 2.88Å; R336-T353 PolarHBondContact NH2-O 3.21Å; A351-T353 VanDerWaalsContact C-N 3.28Å; A351-T353 HydrophobicContact CB-CG2 3.72Å; A351-T353 PolarHBondContact O-N 2.69Å
354	C	97.4	Very high	81.2	Confident	4 Å²	4	70.2 Å²	70.2	3%	0.027	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-74.6	134	173	-67.4	0	0	0	0	110.9	H319 N320 C329 Y333	H319-C354 PolarHBondContact O-N 3.09Å; N320-C354 HydrophobicContact CB-CB 3.99Å; N320-C354 PolarHBondContact ND2-O 2.92Å; C329-C354 WeakPolarHBondContact CA-SG 3.17Å; C329-C354 HydrophobicContact CB-CB 3.66Å; C329-C354 WeakPolarHBondContact CB-SG 3.11Å; C329-C354 WeakPolarHBondContact SG-CB 3.25Å; C329-C354 CovalentContact SG-SG 2.04Å; C329-C354 PolarHBondContact SG-SG 3.35Å; Y333-C354 WeakPolarHBondContact O-CB 3.35Å
355	I	95.5	Very high	78.7	Confident	73 Å²	73	72 Å²	72	37%	0.374	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-99.6	141	-173.6	-60.1	177.8	0	0	0	109.9	Y333 Q334 G335 R336	Y333-I355 CarbonylContact C-O 3.59Å; Y333-I355 WeakPolarHBondContact CA-O 3.44Å; Y333-I355 VanDerWaalsContact O-O 3.13Å; Q334-I355 PolarHBondContact N-O 3.15Å; G335-I355 PolarHBondContact N-O 3.25Å; R336-I355 HydrophobicContact CG-CB 4.35Å; R336-I355 HydrophobicContact CG-CD1 3.94Å; R336-I355 HydrophobicContact CG-CG1 4.05Å
356	P	94.9	Very high	76	Confident	57 Å²	57	77.2 Å²	77.2	37%	0.37	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-48.1	140.2	174.4	-28.8	35.6	0	0	0	113.7	N332 Y333 G335	N332-P356 CarbonylContact O-C 3.35Å; N332-P356 VanDerWaalsContact O-CA 3.3Å; N332-P356 WeakPolarHBondContact O-CA 3.41Å; Y333-P356 HydrophobicContact CD1-CG 4Å; Y333-P356 HydrophobicContact CE1-CG 3.85Å; G335-P356 WeakPolarHBondContact CA-O 3.36Å
357	S	91.9	Very high	73.5	Confident	15 Å²	15	82.7 Å²	82.7	11%	0.105	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-66.5	149.3	175.3	-59.4	0	0	0	0	110.6	N332 Q334 S359 S360	N332-S357 PolarHBondContact O-N 2.93Å; N332-S357 PolarHBondContact O-OG 3.49Å; Q334-S357 PolarHBondContact N-OG 2.9Å; S357-S359 PolarHBondContact O-N 2.88Å; S357-S359 VanDerWaalsContact O-N 3.15Å; S357-S360 WeakPolarHBondContact CA-OG 3.24Å; S357-S360 WeakPolarHBondContact CB-OG 3.19Å; S357-S360 PolarHBondContact N-OG 3.11Å; S357-S360 PolarHBondContact O-N 3.03Å; S357-S360 PolarHBondContact O-OG 2.97Å
358	I	82.5	Confident	70.9	Confident	146 Å²	146	85.6 Å²	85.6	75%	0.749	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-58.6	-31.8	-175	-61.8	167.6	0	0	0	112.4	S360	I358-S360 VanDerWaalsContact C-N 3.33Å; I358-S360 PolarHBondContact O-N 2.7Å
359	S	67.3	Low	68.2	Low	119 Å²	119	90.7 Å²	90.7	83%	0.832	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-77.8	-12.6	177.3	47.6	0	0	0	0	114.9	S357	S357-S359 PolarHBondContact O-N 2.88Å; S357-S359 VanDerWaalsContact O-N 3.15Å
360	S	57.1	Low	65.3	Low	58 Å²	58	98 Å²	98	41%	0.406	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-94.2	-6.6	176.3	22.4	0	0	0	0	113.2	N332 S357 I358 G362	N332-S360 PolarHBondContact O-OG 3.32Å; S357-S360 WeakPolarHBondContact CA-OG 3.24Å; S357-S360 WeakPolarHBondContact CB-OG 3.19Å; S357-S360 PolarHBondContact N-OG 3.11Å; S357-S360 PolarHBondContact O-N 3.03Å; S357-S360 PolarHBondContact O-OG 2.97Å; I358-S360 VanDerWaalsContact C-N 3.33Å; I358-S360 PolarHBondContact O-N 2.7Å; S360-G362 PolarHBondContact O-N 3.26Å
361	I	58.9	Low	62.1	Low	113 Å²	113	104.7 Å²	104.7	58%	0.579	55%	0.553	S	S	*	*	S	Bend	trans	-82.3	102.1	165.4	-56.2	171.7	0	0	0	105.1
362	G	50.8	Low	58.9	Low	62 Å²	62	109.6 Å²	109.6	64%	0.639	59%	0.585	S	S	*	*			trans	-48.5	147.1	175.3	0	0	0	0	0	111.1	S360	S360-G362 PolarHBondContact O-N 3.26Å
363	N	41.8	Very low	55.6	Low	158 Å²	158	114.9 Å²	114.9	85%	0.845	61%	0.613	S	S	*	*			trans	-26.5	125.8	-177.2	-78	-33.8	0	0	0	113.1
364	P	40.7	Very low	52.5	Low	103 Å²	103	121.1 Å²	121.1	67%	0.669	64%	0.643	S	S	*	*			trans	-56.6	141.4	175.8	24	-31.7	0	0	0	109.1	K366	P364-K366 PolarHBondContact O-N 2.04Å
365	P	39.6	Very low	49.3	Very low	106 Å²	106	126 Å²	126	69%	0.688	68%	0.677	S	S	*	*			trans	-54.8	129.7	172.4	22.4	-30.1	0	0	0	107.6	F367	P365-F367 VanDerWaalsContact C-N 3.32Å; P365-F367 PolarHBondContact O-N 3.29Å
366	K	35.4	Very low	46.2	Very low	198 Å²	198	127 Å²	127	86%	0.861	69%	0.692	S	S	*	*			trans	-55.3	95.8	179.7	-72.7	-178.6	178.4	178.8	0	109	P364 N368	P364-K366 PolarHBondContact O-N 2.04Å; K366-N368 PolarHBondContact O-N 3.36Å; K366-N368 VanDerWaalsContact O-N 3.12Å
367	F	33.2	Very low	43.1	Very low	191 Å²	191	131.5 Å²	131.5	84%	0.838	71%	0.711	S	S	*	*			trans	-67.6	107.9	158.5	-96.3	-86.4	0	0	0	106.1	P365 R369	P365-F367 VanDerWaalsContact C-N 3.32Å; P365-F367 PolarHBondContact O-N 3.29Å; F367-R369 VanDerWaalsContact C-N 3.26Å; F367-R369 PolarHBondContact O-N 2.71Å
368	N	33.8	Very low	40	Very low	150 Å²	150	139.1 Å²	139.1	80%	0.802	75%	0.745	S	S	*	*			trans	-58.8	94.2	168.1	-83.4	-19.8	0	0	0	108.1	K366 I370	K366-N368 PolarHBondContact O-N 3.36Å; K366-N368 VanDerWaalsContact O-N 3.12Å; N368-I370 PolarHBondContact O-N 2.82Å; N368-I370 VanDerWaalsContact O-N 3.14Å
369	R	33.8	Very low	37.5	Very low	203 Å²	203	138.7 Å²	138.7	77%	0.766	75%	0.749	S	S	*	*			trans	-77.6	96.9	172.2	-141.6	178.7	-161.6	-169.9	4.8	106.6	F367 W371	F367-R369 VanDerWaalsContact C-N 3.26Å; F367-R369 PolarHBondContact O-N 2.71Å; R369-W371 PolarHBondContact O-N 3.03Å
370	I	32.8	Very low	35.7	Very low	163 Å²	163	139 Å²	139	84%	0.836	75%	0.751	S	S	*	*			trans	-64	104.5	165.6	-60	171.3	0	0	0	106	N368	N368-I370 PolarHBondContact O-N 2.82Å; N368-I370 VanDerWaalsContact O-N 3.14Å
371	W	27.6	Very low	34.3	Very low	193 Å²	193	143.7 Å²	143.7	73%	0.731	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-84.6	130.6	166.8	-86.7	67.2	0	0	0	108.2	R369 N373	R369-W371 PolarHBondContact O-N 3.03Å; W371-N373 PolarHBondContact O-N 2.98Å
372	P	28.6	Very low	33.1	Very low	109 Å²	109	143.2 Å²	143.2	71%	0.708	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-69.4	131.8	167	27.7	-28.9	0	0	0	109.2	I374	P372-I374 PolarHBondContact O-N 2.73Å
373	N	28.2	Very low	31.9	Very low	162 Å²	162	149.9 Å²	149.9	87%	0.866	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-55.3	121.3	174.3	-83.9	-30	0	0	0	111.1	W371	W371-N373 PolarHBondContact O-N 2.98Å
374	I	31.1	Very low	31.3	Very low	160 Å²	160	151.7 Å²	151.7	82%	0.821	79%	0.791	S	S	*	*			trans	-129	102.2	153.1	-62.3	178.4	0	0	0	107.2	P372	P372-I374 PolarHBondContact O-N 2.73Å
375	S	29.7	Very low	30.7	Very low	106 Å²	106	153.5 Å²	153.5	74%	0.741	80%	0.8	S	S	*	*			trans	-74.3	125.3	165.6	37.5	0	0	0	0	110.2
376	S	30.1	Very low	30.3	Very low	96 Å²	96	152.5 Å²	152.5	67%	0.671	80%	0.801	S	S	*	*			trans	165	129.8	134.8	41.3	0	0	0	0	111.4
377	L	30	Very low	30.1	Very low	150 Å²	150	149.3 Å²	149.3	79%	0.785	80%	0.8	S	S	*	*			trans	53.6	130.2	139.9	-59.9	154	0	0	0	116.9
378	E	27.5	Very low	29.8	Very low	175 Å²	175	149.4 Å²	149.4	82%	0.818	80%	0.8	S	S	*	*			cis	-170	148.7	20.5	-128.1	164.3	-168.7	0	0	107.3
379	V	30.4	Very low	29.4	Very low	138 Å²	138	150.4 Å²	150.4	84%	0.836	80%	0.804	S	S	*	*			trans	-77.5	135.1	177.1	168.9	0	0	0	0	109.8
380	S	27.8	Very low	29	Very low	125 Å²	125	145 Å²	145	87%	0.874	80%	0.804	S	S	*	*			trans	-154.7	133.4	152.9	-78.8	0	0	0	0	113.1
381	N	29.5	Very low	28.6	Very low	157 Å²	157	145.2 Å²	145.2	84%	0.84	81%	0.805	S	S	*	*			trans	-78	158.3	-169.2	-149.3	14.9	0	0	0	112.5
382	P	31.8	Very low	28.5	Very low	102 Å²	102	140.8 Å²	140.8	66%	0.662	80%	0.804	S	S	*	*			trans	-93.2	132.9	-175.9	34	-24.2	0	0	0	111.5
383	K	27.5	Very low	28.4	Very low	202 Å²	202	142.5 Å²	142.5	88%	0.878	81%	0.813	S	S	*	*			trans	169.4	107.8	149.2	-96.5	163.2	-172.4	-173.2	0	110.1
384	Q	28.4	Very low	28.2	Very low	196 Å²	196	141.2 Å²	141.2	92%	0.916	81%	0.811	S	S	*	*			trans	-172.5	118.3	135.1	-108.4	167.3	-2.4	0	0	113.4
385	V	27.2	Very low	28	Very low	142 Å²	142	138.7 Å²	138.7	86%	0.861	81%	0.807	S	S	*	*			trans	3.8	136.9	147	-168.4	0	0	0	0	119.8
386	A	32.4	Very low	27.9	Very low	85 Å²	85	138.5 Å²	138.5	70%	0.702	81%	0.806	S	S	*	*			trans	-62.9	168.1	172.6	0	0	0	0	0	115
387	P	30.3	Very low	27.8	Very low	131 Å²	131	139.5 Å²	139.5	85%	0.851	81%	0.808	S	S	*	*				-147.3	172.1	102.3	33.8	-14.6	0	0	0	116.7
388	K	28.3	Very low	27.7	Very low	193 Å²	193	140.5 Å²	140.5	84%	0.839	81%	0.808	S	S	*	*			trans	-75	170.5	178.4	-76.1	174.9	168.1	173.9	0	114.6
389	L	25.2	Very low	27.8	Very low	170 Å²	170	138.4 Å²	138.4	89%	0.89	81%	0.807	S	S	*	*			trans	106.5	140.9	162.8	-87.5	88.9	0	0	0	113.4
390	A	24.2	Very low	27.7	Very low	91 Å²	91	136.5 Å²	136.5	75%	0.752	81%	0.806	S	S	*	*			cis	-165.3	174.6	-3.6	0	0	0	0	0	108.2
391	L	25.6	Very low	27.9	Very low	166 Å²	166	138.2 Å²	138.2	87%	0.869	81%	0.805	S	S	*	*			trans	-63.7	155.9	-174	-122.1	74.1	0	0	0	116.1
392	S	24.2	Very low	28.1	Very low	101 Å²	101	139.3 Å²	139.3	71%	0.706	81%	0.805	S	S	*	*			trans	91.4	114.1	148	78.8	0	0	0	0	118.9
393	T	26.8	Very low	28.5	Very low	144 Å²	144	144.9 Å²	144.9	88%	0.883	82%	0.819	S	S	*	*				176.2	148.3	96.9	32.7	0	0	0	0	109.2
394	V	25.5	Very low	29.3	Very low	136 Å²	136	146.3 Å²	146.3	82%	0.824	82%	0.819	S	S	*	*			trans	-100.4	153.4	-161.9	177	0	0	0	0	111.9
395	S	25.2	Very low	30.2	Very low	107 Å²	107	140.2 Å²	140.2	75%	0.748	80%	0.802	S	S	*	*			trans	112	124.7	156.6	-52.5	0	0	0	0	112.5
396	S	28.7	Very low	31.6	Very low	102 Å²	102	137.8 Å²	137.8	71%	0.713	78%	0.784	S	S	*	*			cis	-177	160.4	9.4	42.5	0	0	0	0	107.8
397	V	28.1	Very low	32.9	Very low	117 Å²	117	135.1 Å²	135.1	71%	0.709	76%	0.759	S	S	*	*			trans	78.6	121.9	163.1	-166.4	0	0	0	0	113.9
398	Q	28.2	Very low	34.7	Very low	171 Å²	171	129.1 Å²	129.1	80%	0.799	72%	0.72	S	S	*	*			cis	-164.2	143.5	14.5	-113.9	159.4	-12.1	0	0	110
399	V	28.7	Very low	36.2	Very low	131 Å²	131	124 Å²	124	79%	0.794	70%	0.702	S	S	*	*			trans	67.4	103.5	145.7	-169.1	0	0	0	0	120.4
400	A	28.7	Very low	37.8	Very low	98 Å²	98	123.9 Å²	123.9	81%	0.81	70%	0.702	S	S	*	*			trans	-146.8	104.4	132.1	0	0	0	0	0	108.8	H402	A400-H402 PolarHBondContact O-N 2.73Å
401	N	31.6	Very low	39.5	Very low	161 Å²	161	126.5 Å²	126.5	86%	0.861	70%	0.698	S	S	*	*			trans	-67.9	109.1	-177	-124.7	-13.4	0	0	0	110	K403	N401-K403 PolarHBondContact O-N 3.09Å
402	H	34.2	Very low	41	Very low	180 Å²	180	125 Å²	125	83%	0.833	69%	0.69	S	S	*	*			trans	-64.6	122.2	163.9	-96	-20.8	0	0	0	109.2	A400 R404	A400-H402 PolarHBondContact O-N 2.73Å; H402-R404 PolarHBondContact O-N 3.08Å
403	K	39.3	Very low	42.8	Very low	219 Å²	219	123.9 Å²	123.9	95%	0.952	68%	0.677	S	S	*	*			trans	-62.6	88.2	162.2	-87.5	-177.6	174.7	179.1	0	108.7	N401	N401-K403 PolarHBondContact O-N 3.09Å
404	R	44.8	Very low	45.2	Very low	232 Å²	232	122.3 Å²	122.3	88%	0.875	66%	0.659	S	S	*	*			trans	-74	127.2	164.3	-139	172	-171.2	173.3	1	106.9	H402 N406	H402-R404 PolarHBondContact O-N 3.08Å; R404-N406 PolarHBondContact O-N 3.12Å
405	A	48.2	Very low	47.8	Very low	68 Å²	68	116.6 Å²	116.6	56%	0.562	63%	0.625	S	S	*	*			trans	-62.2	130.9	175.5	0	0	0	0	0	109.5	V407	A405-V407 HydrophobicContact CB-CG2 3.84Å; A405-V407 PolarHBondContact O-N 3.13Å
406	N	55.8	Low	50.5	Low	91 Å²	91	116.2 Å²	116.2	49%	0.487	61%	0.611	S	S	.	*			trans	-74.1	64.8	176.4	-79.9	-14.2	0	0	0	110.5	R404	R404-N406 PolarHBondContact O-N 3.12Å
407	V	59.8	Low	53.1	Low	28 Å²	28	114.7 Å²	114.7	17%	0.17	60%	0.595	C	S	.	*	B	Isolated β-bridge	trans	-94.8	130.2	177.8	179.8	0	0	0	0	109.6	A405 D409 L412 C421 N424	A405-V407 HydrophobicContact CB-CG2 3.84Å; A405-V407 PolarHBondContact O-N 3.13Å; V407-D409 WeakPolarHBondContact CG1-O 3.44Å; V407-L412 HydrophobicContact CG1-CD2 4.24Å; V407-L412 HydrophobicContact CG2-CD2 4.41Å; V407-C421 PolarHBondContact O-SG 3.1Å; V407-C421 VanDerWaalsContact O-SG 3.39Å; V407-N424 PolarHBondContact O-OD1 3.34Å
408	C	68.2	Low	55.6	Low	6 Å²	6	112 Å²	112	4%	0.041	59%	0.591	C	S	.	*			trans	-119.4	2.9	-169.7	-125	0	0	0	0	115.7	L413 C421 N424 R426	C408-L413 PolarHBondContact N-O 3.29Å; C408-C421 WeakPolarHBondContact CA-SG 3.18Å; C408-C421 HydrophobicContact CB-CB 3.84Å; C408-C421 WeakPolarHBondContact CB-SG 3.33Å; C408-C421 WeakPolarHBondContact SG-CA 3.3Å; C408-C421 WeakPolarHBondContact SG-CB 3.44Å; C408-C421 CovalentContact SG-SG 2.02Å; C408-C421 PolarHBondContact SG-SG 3.43Å; C408-N424 CarbonylContact O-C 3.56Å; C408-R426 PolarHBondContact SG-O 3.12Å
409	D	59.8	Low	58.2	Low	86 Å²	86	104.1 Å²	104.1	46%	0.46	56%	0.556	S	S	.	*	S	Bend	trans	-148.4	161.1	173.7	-160.8	-7.6	0	0	0	110.5	V407 E411 L412	V407-D409 WeakPolarHBondContact CG1-O 3.44Å; D409-E411 PolarHBondContact O-N 3.07Å; D409-E411 VanDerWaalsContact O-N 3.09Å; D409-L412 PolarHBondContact O-N 3.11Å; D409-L412 VanDerWaalsContact O-N 3.15Å
410	N	57.7	Low	60.8	Low	167 Å²	167	101.8 Å²	101.8	89%	0.893	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.7	176.5	-70.8	-32.1	0	0	0	113.3
411	E	60	Low	63.3	Low	145 Å²	145	98.1 Å²	98.1	68%	0.678	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	9.7	175.9	-60.2	-165.3	163	0	0	114.4	D409 L413	D409-E411 PolarHBondContact O-N 3.07Å; D409-E411 VanDerWaalsContact O-N 3.09Å; E411-L413 HydrophobicContact CB-CD1 4.29Å; E411-L413 HydrophobicContact CB-CG 4.42Å; E411-L413 PolarHBondContact O-N 3.19Å
412	L	58.3	Low	65.5	Low	134 Å²	134	94.5 Å²	94.5	70%	0.702	49%	0.488	S	S	*	.			trans	63.4	20.6	179.2	-65.1	163.4	0	0	0	115.1	V407 D409 H414	V407-L412 HydrophobicContact CG1-CD2 4.24Å; V407-L412 HydrophobicContact CG2-CD2 4.41Å; D409-L412 PolarHBondContact O-N 3.11Å; D409-L412 VanDerWaalsContact O-N 3.15Å; L412-H414 PolarHBondContact O-CD2 3.09Å
413	L	61.9	Low	67.2	Low	79 Å²	79	92 Å²	92	41%	0.414	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-79.3	132.7	178.2	-68.8	166.6	0	0	0	111.6	C408 E411 L437	C408-L413 PolarHBondContact N-O 3.29Å; E411-L413 HydrophobicContact CB-CD1 4.29Å; E411-L413 HydrophobicContact CB-CG 4.42Å; E411-L413 PolarHBondContact O-N 3.19Å; L413-L437 HydrophobicContact CB-CD1 3.98Å; L413-L437 HydrophobicContact CD1-CD1 4.26Å
414	H	77.3	Confident	68.6	Low	110 Å²	110	87.1 Å²	87.1	51%	0.509	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-92.3	144.6	-179.7	-70.3	-155.6	0	0	0	110.7	L412 Q416	L412-H414 PolarHBondContact O-CD2 3.09Å; H414-Q416 PolarHBondContact O-N 3.44Å
415	C	80.1	Confident	69.8	Low	17 Å²	17	81.8 Å²	81.8	12%	0.115	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-61.3	128.1	166.8	-53.9	0	0	0	0	109.8	G419 C427	C415-G419 VanDerWaalsContact CB-O 3.26Å; C415-G419 WeakPolarHBondContact CB-O 3.4Å; C415-C427 WeakPolarHBondContact CA-SG 3.36Å; C415-C427 HydrophobicContact CB-CB 3.78Å; C415-C427 WeakPolarHBondContact CB-SG 3.4Å; C415-C427 VanDerWaalsContact SG-CA 3.57Å; C415-C427 WeakPolarHBondContact SG-CB 3.36Å; C415-C427 CovalentContact SG-SG 2.02Å; C415-C427 PolarHBondContact SG-SG 2.73Å
416	Q	81.7	Confident	71.2	Confident	98 Å²	98	86.1 Å²	86.1	46%	0.458	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-88.9	170.3	-179.2	-57.7	-174	14.5	0	0	111	H414 G418 G419 L437 C438	H414-Q416 PolarHBondContact O-N 3.44Å; Q416-G418 PolarHBondContact O-N 2.85Å; Q416-G419 PolarHBondContact O-N 2.9Å; Q416-L437 WeakPolarHBondContact CB-O 3.44Å; Q416-L437 PolarHBondContact N-O 2.76Å; Q416-C438 WeakPolarHBondContact O-CB 3.46Å
417	N	83.1	Confident	72.6	Confident	71 Å²	71	82.5 Å²	82.5	38%	0.38	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	36.5	170.8	-58	-42.6	0	0	0	115.2	G419 Y433 C438	N417-G419 VanDerWaalsContact C-N 3.34Å; N417-Y433 HydrophobicContact CB-CD1 3.66Å; N417-Y433 HydrophobicContact CB-CD2 3.89Å; N417-Y433 HydrophobicContact CB-CE1 3.71Å; N417-Y433 HydrophobicContact CB-CE2 3.95Å; N417-Y433 HydrophobicContact CB-CG 3.75Å; N417-C438 PolarHBondContact ND2-O 3.17Å
418	G	80.4	Confident	73.8	Confident	61 Å²	61	85 Å²	85	63%	0.629	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	12.4	179.2	0	0	0	0	0	115.1	Q416	Q416-G418 PolarHBondContact O-N 2.85Å
419	G	82.8	Confident	74.7	Confident	5 Å²	5	86.9 Å²	86.9	5%	0.052	47%	0.466	C	S	.	.			trans	-61.3	142	172.6	0	0	0	0	0	112.7	C415 Q416 N417 L428	C415-G419 VanDerWaalsContact CB-O 3.26Å; C415-G419 WeakPolarHBondContact CB-O 3.4Å; Q416-G419 PolarHBondContact O-N 2.9Å; N417-G419 VanDerWaalsContact C-N 3.34Å; G419-L428 VanDerWaalsContact CA-O 3.3Å; G419-L428 WeakPolarHBondContact CA-O 3.38Å
420	T	83.1	Confident	75.9	Confident	82 Å²	82	85.3 Å²	85.3	50%	0.503	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.3	178	-56.9	0	0	0	0	110.2	H422 L428	T420-H422 PolarHBondContact O-N 2.68Å; T420-L428 PolarHBondContact N-O 3.4Å; T420-L428 PolarHBondContact O-N 3.03Å
421	C	81.1	Confident	77	Confident	20 Å²	20	81.2 Å²	81.2	14%	0.135	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127.1	178.3	-176.5	0	0	0	0	111.2	V407 C408	V407-C421 PolarHBondContact O-SG 3.1Å; V407-C421 VanDerWaalsContact O-SG 3.39Å; C408-C421 WeakPolarHBondContact CA-SG 3.18Å; C408-C421 HydrophobicContact CB-CB 3.84Å; C408-C421 WeakPolarHBondContact CB-SG 3.33Å; C408-C421 WeakPolarHBondContact SG-CA 3.3Å; C408-C421 WeakPolarHBondContact SG-CB 3.44Å; C408-C421 CovalentContact SG-SG 2.02Å; C408-C421 PolarHBondContact SG-SG 3.43Å
422	H	77.4	Confident	77.9	Confident	85 Å²	85	76.7 Å²	76.7	39%	0.394	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.5	176	-166.3	75	0	0	0	110.5	T420 N424 V425 R426 L428	T420-H422 PolarHBondContact O-N 2.68Å; H422-N424 PolarHBondContact O-N 3Å; H422-N424 VanDerWaalsContact O-N 3.11Å; H422-V425 PolarHBondContact O-N 2.91Å; H422-R426 PolarHBondContact N-O 2.98Å; H422-L428 HydrophobicContact CB-CD1 3.77Å; H422-L428 HydrophobicContact CB-CG 3.93Å
423	N	69.5	Low	79.2	Confident	127 Å²	127	73.6 Å²	73.6	68%	0.679	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	22.5	179.1	-61.5	-21.2	0	0	0	115.8	V425	N423-V425 WeakPolarHBondContact O-CG2 3.3Å; N423-V425 PolarHBondContact O-N 2.99Å
424	N	68.8	Low	80.2	Confident	117 Å²	117	73.2 Å²	73.2	63%	0.626	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	28.3	-177.6	-57.2	-15.4	0	0	0	114.3	V407 C408 H422	V407-N424 PolarHBondContact O-OD1 3.34Å; C408-N424 CarbonylContact O-C 3.56Å; H422-N424 PolarHBondContact O-N 3Å; H422-N424 VanDerWaalsContact O-N 3.11Å
425	V	70	Confident	80.3	Confident	120 Å²	120	69.2 Å²	69.2	73%	0.727	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	-30	-180	177.4	0	0	0	0	112	H422 N423	H422-V425 PolarHBondContact O-N 2.91Å; N423-V425 WeakPolarHBondContact O-CG2 3.3Å; N423-V425 PolarHBondContact O-N 2.99Å
426	R	79.3	Confident	80.4	Confident	160 Å²	160	75.3 Å²	75.3	60%	0.604	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.2	147.8	-178.1	67.6	-179.4	-173.5	177.3	1	113.4	C408 H422	C408-R426 PolarHBondContact SG-O 3.12Å; H422-R426 PolarHBondContact N-O 2.98Å
427	C	85.2	Confident	80.5	Confident	15 Å²	15	72.2 Å²	72.2	10%	0.101	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	133.4	171.1	-65.1	0	0	0	0	111.2	C415 I436	C415-C427 WeakPolarHBondContact CA-SG 3.36Å; C415-C427 HydrophobicContact CB-CB 3.78Å; C415-C427 WeakPolarHBondContact CB-SG 3.4Å; C415-C427 VanDerWaalsContact SG-CA 3.57Å; C415-C427 WeakPolarHBondContact SG-CB 3.36Å; C415-C427 CovalentContact SG-SG 2.02Å; C415-C427 PolarHBondContact SG-SG 2.73Å; C427-I436 WeakPolarHBondContact CB-O 3.13Å
428	L	84.5	Confident	80.7	Confident	81 Å²	81	68.9 Å²	68.9	42%	0.424	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.4	167.4	-63.9	177.3	0	0	0	108.5	G419 T420 H422	G419-L428 VanDerWaalsContact CA-O 3.3Å; G419-L428 WeakPolarHBondContact CA-O 3.38Å; T420-L428 PolarHBondContact N-O 3.4Å; T420-L428 PolarHBondContact O-N 3.03Å; H422-L428 HydrophobicContact CB-CD1 3.77Å; H422-L428 HydrophobicContact CB-CG 3.93Å
429	C	86.4	Confident	80.9	Confident	44 Å²	44	69.5 Å²	69.5	30%	0.297	39%	0.391	S	S	.	.			trans	-87.8	140.4	-175.3	-53.6	0	0	0	0	112.3	Y433 C438	C429-Y433 WeakPolarHBondContact CB-O 3.19Å; C429-C438 WeakPolarHBondContact CA-SG 3.49Å; C429-C438 HydrophobicContact CB-CB 3.68Å; C429-C438 WeakPolarHBondContact CB-SG 3.43Å; C429-C438 WeakPolarHBondContact SG-CA 3.43Å; C429-C438 WeakPolarHBondContact SG-CB 3.49Å; C429-C438 CovalentContact SG-SG 2.03Å; C429-C438 PolarHBondContact SG-SG 3.47Å
430	P	85.8	Confident	80.8	Confident	53 Å²	53	75.3 Å²	75.3	34%	0.344	42%	0.415	S	S	.	.			trans	-60.2	157	167.4	-20.3	33.1	0	0	0	111.1	A432 Y433	P430-A432 PolarHBondContact O-N 2.91Å; P430-Y433 HydrophobicContact CB-CD2 4.43Å; P430-Y433 PolarHBondContact O-N 2.04Å
431	A	81	Confident	80.8	Confident	82 Å²	82	77 Å²	77	68%	0.678	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-29.1	-171	0	0	0	0	0	114.9	Y433 R442	A431-Y433 VanDerWaalsContact C-N 3.33Å; A431-Y433 PolarHBondContact O-N 2.88Å; A431-R442 WeakPolarHBondContact O-CD 3.36Å
432	A	78.6	Confident	80.6	Confident	49 Å²	49	82.7 Å²	82.7	41%	0.405	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.4	-180	0	0	0	0	0	114.8	P430 L441 R442	P430-A432 PolarHBondContact O-N 2.91Å; A432-L441 CarbonylContact O-C 3.43Å; A432-L441 WeakPolarHBondContact O-CA 3.34Å; A432-R442 PolarHBondContact O-N 3.22Å
433	Y	85	Confident	80.3	Confident	69 Å²	69	82.9 Å²	82.9	27%	0.271	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	153.8	-175.3	-58.3	-84.8	0	0	0	112.7	N417 C429 P430 A431 K440 L441	N417-Y433 HydrophobicContact CB-CD1 3.66Å; N417-Y433 HydrophobicContact CB-CD2 3.89Å; N417-Y433 HydrophobicContact CB-CE1 3.71Å; N417-Y433 HydrophobicContact CB-CE2 3.95Å; N417-Y433 HydrophobicContact CB-CG 3.75Å; C429-Y433 WeakPolarHBondContact CB-O 3.19Å; P430-Y433 HydrophobicContact CB-CD2 4.43Å; P430-Y433 PolarHBondContact O-N 2.04Å; A431-Y433 VanDerWaalsContact C-N 3.33Å; A431-Y433 PolarHBondContact O-N 2.88Å; Y433-K440 CarbonylContact C-O 3.4Å; Y433-K440 WeakPolarHBondContact CA-O 3.23Å; Y433-K440 WeakPolarHBondContact CB-O 3.11Å; Y433-L441 HydrophobicContact CD1-CD1 4.21Å; Y433-L441 HydrophobicContact CD1-CG 4.06Å; Y433-L441 HydrophobicContact CE1-CD1 3.59Å; Y433-L441 HydrophobicContact CE1-CG 3.75Å
434	T	83.6	Confident	79.3	Confident	71 Å²	71	84.5 Å²	84.5	44%	0.436	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	174.7	179.1	-169	0	0	0	0	110.1	C438 E439 K440	T434-C438 CarbonylContact O-C 3.52Å; T434-C438 WeakPolarHBondContact O-CA 3.41Å; T434-E439 PolarHBondContact O-N 2.89Å; T434-K440 HydrophobicContact CG2-CB 3.87Å; T434-K440 PolarHBondContact N-O 3.48Å; T434-K440 WeakPolarHBondContact O-CB 3.34Å; T434-K440 PolarHBondContact O-N 3.02Å
435	G	78.5	Confident	78.1	Confident	27 Å²	27	87.9 Å²	87.9	28%	0.278	47%	0.465	S	S	.	.	S	Bend	trans	103	166.7	-172.7	0	0	0	0	0	112.9	L437 C438 E439	G435-L437 VanDerWaalsContact C-N 3.26Å; G435-L437 PolarHBondContact O-N 2.93Å; G435-C438 PolarHBondContact O-N 2.73Å; G435-E439 WeakPolarHBondContact CA-OE1 3.49Å
436	I	82.4	Confident	77	Confident	145 Å²	145	87.4 Å²	87.4	74%	0.744	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-31.7	-171.2	-62.2	171.3	0	0	0	111.1	C427 E439	C427-I436 WeakPolarHBondContact CB-O 3.13Å; I436-E439 PolarHBondContact N-OE1 3.44Å; I436-E439 PolarHBondContact N-OE2 3.01Å
437	L	84.8	Confident	75.7	Confident	33 Å²	33	83.6 Å²	83.6	17%	0.173	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	18.5	176.4	-60.4	177.1	0	0	0	111.9	L413 Q416 G435 E439	L413-L437 HydrophobicContact CB-CD1 3.98Å; L413-L437 HydrophobicContact CD1-CD1 4.26Å; Q416-L437 WeakPolarHBondContact CB-O 3.44Å; Q416-L437 PolarHBondContact N-O 2.76Å; G435-L437 VanDerWaalsContact C-N 3.26Å; G435-L437 PolarHBondContact O-N 2.93Å; L437-E439 VanDerWaalsContact C-N 3.26Å; L437-E439 VanDerWaalsContact C-OE2 3.32Å; L437-E439 WeakPolarHBondContact CA-OE2 3.08Å; L437-E439 PolarHBondContact N-OE2 2.99Å; L437-E439 PolarHBondContact O-N 3.41Å
438	C	86.6	Confident	74	Confident	0 Å²	0	88.1 Å²	88.1	0%	0	52%	0.516	C	S	.	.	S	Bend	trans	62.9	29	-176.1	-44.2	0	0	0	0	114.2	Q416 N417 C429 T434 G435 K440	Q416-C438 WeakPolarHBondContact O-CB 3.46Å; N417-C438 PolarHBondContact ND2-O 3.17Å; C429-C438 WeakPolarHBondContact CA-SG 3.49Å; C429-C438 HydrophobicContact CB-CB 3.68Å; C429-C438 WeakPolarHBondContact CB-SG 3.43Å; C429-C438 WeakPolarHBondContact SG-CA 3.43Å; C429-C438 WeakPolarHBondContact SG-CB 3.49Å; C429-C438 CovalentContact SG-SG 2.03Å; C429-C438 PolarHBondContact SG-SG 3.47Å; T434-C438 CarbonylContact O-C 3.52Å; T434-C438 WeakPolarHBondContact O-CA 3.41Å; G435-C438 PolarHBondContact O-N 2.73Å; C438-K440 VanDerWaalsContact C-N 3.34Å; C438-K440 PolarHBondContact O-N 2.77Å
439	E	84.3	Confident	71.9	Confident	74 Å²	74	89.4 Å²	89.4	35%	0.346	53%	0.531	S	S	.	.			trans	-78.1	-12.7	-172.5	70.6	-72.3	170.6	0	0	114.5	T434 G435 I436 L437	T434-E439 PolarHBondContact O-N 2.89Å; G435-E439 WeakPolarHBondContact CA-OE1 3.49Å; I436-E439 PolarHBondContact N-OE1 3.44Å; I436-E439 PolarHBondContact N-OE2 3.01Å; L437-E439 VanDerWaalsContact C-N 3.26Å; L437-E439 VanDerWaalsContact C-OE2 3.32Å; L437-E439 WeakPolarHBondContact CA-OE2 3.08Å; L437-E439 PolarHBondContact N-OE2 2.99Å; L437-E439 PolarHBondContact O-N 3.41Å
440	K	81.2	Confident	69.5	Low	127 Å²	127	90.7 Å²	90.7	55%	0.552	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.2	143.3	-177.3	-60.1	179	-177.9	175	0	111	Y433 T434 C438	Y433-K440 CarbonylContact C-O 3.4Å; Y433-K440 WeakPolarHBondContact CA-O 3.23Å; Y433-K440 WeakPolarHBondContact CB-O 3.11Å; T434-K440 HydrophobicContact CG2-CB 3.87Å; T434-K440 PolarHBondContact N-O 3.48Å; T434-K440 WeakPolarHBondContact O-CB 3.34Å; T434-K440 PolarHBondContact O-N 3.02Å; C438-K440 VanDerWaalsContact C-N 3.34Å; C438-K440 PolarHBondContact O-N 2.77Å
441	L	82.4	Confident	67.1	Low	119 Å²	119	94.1 Å²	94.1	62%	0.623	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.5	141.9	165.5	-102.3	100.8	0	0	0	110.2	A432 Y433 C443	A432-L441 CarbonylContact O-C 3.43Å; A432-L441 WeakPolarHBondContact O-CA 3.34Å; Y433-L441 HydrophobicContact CD1-CD1 4.21Å; Y433-L441 HydrophobicContact CD1-CG 4.06Å; Y433-L441 HydrophobicContact CE1-CD1 3.59Å; Y433-L441 HydrophobicContact CE1-CG 3.75Å; L441-C443 PolarHBondContact O-N 3.05Å
442	R	78.1	Confident	64.7	Low	138 Å²	138	97.7 Å²	97.7	52%	0.521	58%	0.584	S	S	.	*			trans	-86.2	105.6	172.8	-166.9	-178.4	-178.6	175	-7.1	108.1	A431 A432	A431-R442 WeakPolarHBondContact O-CD 3.36Å; A432-R442 PolarHBondContact O-N 3.22Å
443	C	69.7	Low	62.5	Low	90 Å²	90	101 Å²	101	61%	0.608	60%	0.604	S	S	*	*			trans	-83.6	116.3	170.4	-52.6	0	0	0	0	108	L441 C449	L441-C443 PolarHBondContact O-N 3.05Å; C443-C449 PolarHBondContact SG-SG 3.5Å
444	E	50	Low	59.9	Low	160 Å²	160	100.7 Å²	100.7	75%	0.748	62%	0.622	S	S	*	*			trans	-84.3	113.8	171.1	-72.2	-164.9	157.4	0	0	109.9
445	E	42.4	Very low	57.5	Low	188 Å²	188	106.8 Å²	106.8	88%	0.879	65%	0.645	S	S	*	*	S	Bend	trans	55.8	155.1	169.1	-69.2	-170.5	164.5	0	0	120	G447	E445-G447 PolarHBondContact O-N 3.4Å
446	A	48	Very low	55.1	Low	111 Å²	111	109.4 Å²	109.4	92%	0.917	67%	0.672	S	S	*	*	S	Bend	trans	-63.7	117.5	-155.3	0	0	0	0	0	113.2
447	G	51.4	Low	52.5	Low	80 Å²	80	107.2 Å²	107.2	83%	0.825	68%	0.675	S	S	*	*	S	Bend	trans	106.9	56.9	162.6	0	0	0	0	0	115.7	E445	E445-G447 PolarHBondContact O-N 3.4Å
448	S	48.5	Very low	50.2	Low	110 Å²	110	111 Å²	111	77%	0.769	70%	0.702	S	S	*	*			trans	-171.6	97.1	144.3	-169.1	0	0	0	0	111
449	C	41.3	Very low	47.9	Very low	108 Å²	108	117.2 Å²	117.2	73%	0.73	74%	0.743	S	S	*	*			trans	-140.3	75.6	152.3	-86.9	0	0	0	0	106.1	C443	C443-C449 PolarHBondContact SG-SG 3.5Å
450	G	35.3	Very low	45.4	Very low	70 Å²	70	123.3 Å²	123.3	72%	0.722	77%	0.771	S	S	*	*			trans	-69.9	128.7	175.8	0	0	0	0	0	111
451	S	36.7	Very low	42.9	Very low	126 Å²	126	120.6 Å²	120.6	88%	0.881	78%	0.778	S	S	*	*			trans	-110.2	94.7	146.5	-68	0	0	0	0	105.6
452	D	30.2	Very low	40.4	Very low	157 Å²	157	120.8 Å²	120.8	84%	0.84	79%	0.79	S	S	*	*			trans	-82.8	112.7	176.7	-150.6	-2.2	0	0	0	108.1
453	S	32.7	Very low	38.6	Very low	118 Å²	118	120 Å²	120	83%	0.825	80%	0.803	S	S	*	*			trans	-153	80.1	160.5	-46.2	0	0	0	0	109.5
454	G	29.8	Very low	36.8	Very low	62 Å²	62	120 Å²	120	64%	0.639	81%	0.809	S	S	*	*			trans	58.1	104	139.6	0	0	0	0	0	119.1
455	Q	32.6	Very low	36	Very low	200 Å²	200	119.9 Å²	119.9	94%	0.935	81%	0.813	S	S	*	*			trans	-158.1	124.8	134.4	-107.4	164	46.3	0	0	109.9
456	G	27.6	Very low	35.5	Very low	81 Å²	81	117.6 Å²	117.6	84%	0.835	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-70.3	145.9	-171.8	0	0	0	0	0	114
457	A	29.8	Very low	34.8	Very low	99 Å²	99	118.6 Å²	118.6	82%	0.818	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-83.9	142.8	167.5	0	0	0	0	0	110.8
458	P	35.5	Very low	33.8	Very low	114 Å²	114	121.6 Å²	121.6	74%	0.74	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-88.1	151	160.6	34.6	-28	0	0	0	110.3
459	P	37.5	Very low	33.1	Very low	130 Å²	130	121.2 Å²	121.2	84%	0.844	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-85.8	146.6	-178.1	33.5	-31.6	0	0	0	112.6
460	H	31.8	Very low	32.7	Very low	202 Å²	202	121.4 Å²	121.4	94%	0.935	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-88.1	146.5	168.1	-97.1	-69.2	0	0	0	112
461	G	29.1	Very low	32.4	Very low	69 Å²	69	125.5 Å²	125.5	71%	0.711	79%	0.787	S	S	*	*			trans	125.5	132.7	161	0	0	0	0	0	112.2
462	S	29.6	Very low	32.1	Very low	124 Å²	124	127.6 Å²	127.6	87%	0.867	79%	0.788	S	S	*	*			cis	-174.2	-178.3	5.1	-117	0	0	0	0	108.4
463	P	41.9	Very low	32.1	Very low	121 Å²	121	123.1 Å²	123.1	79%	0.786	78%	0.778	S	S	*	*			trans	-106.2	163.3	-137.5	41.1	-38.4	0	0	0	117.3
464	A	31.5	Very low	32	Very low	91 Å²	91	124.4 Å²	124.4	75%	0.752	78%	0.782	S	S	*	*			trans	179.2	142.3	157.6	0	0	0	0	0	106.5
465	L	32.8	Very low	32.1	Very low	157 Å²	157	126.3 Å²	126.3	82%	0.822	79%	0.791	S	S	*	*			cis	-161.3	138.8	17.7	-144.1	92	0	0	0	109.3
466	L	32.3	Very low	32.2	Very low	139 Å²	139	122.2 Å²	122.2	73%	0.728	79%	0.785	S	S	*	*			trans	-0.5	139	152.4	-69.1	145	0	0	0	123.4
467	L	32	Very low	33.2	Very low	133 Å²	133	124.3 Å²	124.3	70%	0.696	78%	0.783	S	S	*	*				70.7	122.1	128.7	-77.1	161.2	0	0	0	121.7
468	L	31.8	Very low	33.6	Very low	142 Å²	142	127.5 Å²	127.5	74%	0.743	79%	0.786	S	S	*	*				163.7	116.1	99.4	-99.8	123.3	0	0	0	110.3
469	T	33.4	Very low	33.6	Very low	103 Å²	103	128.2 Å²	128.2	63%	0.632	79%	0.788	S	S	*	*				54	142.5	114.2	64.4	0	0	0	0	117.4
470	T	32.6	Very low	33.9	Very low	112 Å²	112	134.7 Å²	134.7	69%	0.687	80%	0.803	S	S	*	*			cis	177.6	144.3	0.4	30.2	0	0	0	0	106.4
471	L	29.5	Very low	34	Very low	155 Å²	155	131.3 Å²	131.3	81%	0.812	80%	0.796	S	S	*	*			trans	71.1	155.2	141	-88.7	128.1	0	0	0	124.1
472	L	31.1	Very low	34.2	Very low	171 Å²	171	134.6 Å²	134.6	90%	0.895	80%	0.801	S	S	*	*			trans	85.5	125.5	173.9	-64.8	134.1	0	0	0	115.2
473	G	28.5	Very low	34.5	Very low	62 Å²	62	135.2 Å²	135.2	64%	0.639	80%	0.797	S	S	*	*			cis	145.6	116.6	10.5	0	0	0	0	0	108.2
474	T	32.3	Very low	34	Very low	146 Å²	146	136 Å²	136	90%	0.896	80%	0.798	S	S	*	*			trans	23.8	124.6	151.8	58.3	0	0	0	0	119.9
475	A	31.3	Very low	34.2	Very low	102 Å²	102	138.8 Å²	138.8	84%	0.843	80%	0.801	S	S	*	*				179.2	121.8	121	0	0	0	0	0	111.5
476	S	35.1	Very low	34.3	Very low	114 Å²	114	137.6 Å²	137.6	80%	0.797	80%	0.799	S	S	*	*			trans	-68.1	165.1	150.6	-52.3	0	0	0	0	109.5
477	P	48	Very low	34.4	Very low	124 Å²	124	137.5 Å²	137.5	81%	0.805	80%	0.804	S	S	*	*				-144.8	164.6	89.6	32.1	-12.7	0	0	0	116.1
478	L	37.8	Very low	34.6	Very low	167 Å²	167	137.8 Å²	137.8	87%	0.874	81%	0.813	S	S	*	*			trans	-49.2	164.8	161.5	-72.9	135.5	0	0	0	114.2
479	V	35.8	Very low	34.9	Very low	128 Å²	128	137.5 Å²	137.5	78%	0.776	82%	0.819	S	S	*	*			trans	148	122.6	155.2	151.2	0	0	0	0	106.4
480	F	43	Very low	35	Very low	266 Å²	266	140.6 Å²	140.6	100%	1.167	84%	0.836	S	S	*	*			cis	-151.1	0	4.8	-120.7	-98.4	0	0	0	107.8

Retrieved 480 of 480 residues in 264.9 ms (Link to these results)

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