A0A077Z185_TRITR Loading...

Kelch domain-containing protein 10

AlphaFold DB , UniProt , Accession A0A077Z185, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 394 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	52.4	Low	229 Å²	229	114.9 Å²	114.9	100%	1.128	59%	0.592	S	S	*	*				0	102.6	0	-71.3	-173.1	-57.5	0	0	106.9	V3	M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 3.43Å
2	D	32.2	Very low	55.6	Low	164 Å²	164	111 Å²	111	88%	0.877	58%	0.577	S	S	*	*			trans	-62.8	102.9	164	-77.3	-47.5	0	0	0	106.3	E4	D2-E4 VanDerWaalsContact C-N 3.3Å; D2-E4 PolarHBondContact O-N 3.15Å
3	V	35.6	Very low	58.2	Low	117 Å²	117	107.3 Å²	107.3	71%	0.709	56%	0.562	S	S	*	*			trans	-61.6	104.4	167.5	-177.6	0	0	0	0	104	M1 E5	M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 3.43Å; V3-E5 PolarHBondContact O-N 3.35Å
4	E	39.3	Very low	60	Low	181 Å²	181	100.6 Å²	100.6	85%	0.846	53%	0.527	S	S	*	.			trans	-40.4	121.6	167.1	-80.7	-172.3	143.1	0	0	107.2	D2 V6	D2-E4 VanDerWaalsContact C-N 3.3Å; D2-E4 PolarHBondContact O-N 3.15Å; E4-V6 PolarHBondContact O-N 2.64Å
5	E	43.7	Very low	60.6	Low	84 Å²	84	103.9 Å²	103.9	39%	0.393	54%	0.538	S	S	.	.			trans	-50.8	107.9	-178.1	-90.1	-179.2	165.8	0	0	108.4	V3 P7 K10	V3-E5 PolarHBondContact O-N 3.35Å; E5-P7 VanDerWaalsContact O-N 3.1Å; E5-K10 WeakPolarHBondContact OE2-CE 3.5Å; E5-K10 IonicContact OE2-NZ 2.93Å
6	V	47.3	Very low	60.3	Low	67 Å²	67	100.1 Å²	100.1	41%	0.406	53%	0.527	S	S	.	.			trans	-49.3	125.9	175.1	-170.4	0	0	0	0	106.1	E4 T8 Y9	E4-V6 PolarHBondContact O-N 2.64Å; V6-T8 VanDerWaalsContact CG1-OG1 3.26Å; V6-T8 WeakPolarHBondContact CG1-OG1 3.37Å; V6-T8 PolarHBondContact O-N 3.1Å; V6-Y9 HydrophobicContact CB-CD2 3.61Å; V6-Y9 HydrophobicContact CB-CE2 3.68Å; V6-Y9 HydrophobicContact CG2-CD2 4.07Å; V6-Y9 HydrophobicContact CG2-CE2 3.8Å; V6-Y9 WeakPolarHBondContact O-CB 3.43Å; V6-Y9 PolarHBondContact O-N 3.29Å
7	P	51.3	Low	59.8	Low	110 Å²	110	98 Å²	98	71%	0.714	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-51.3	-25.2	-170.1	-30.1	33.2	0	0	0	114.4	E5 Y9 K10	E5-P7 VanDerWaalsContact O-N 3.1Å; P7-Y9 PolarHBondContact O-N 3.11Å; P7-Y9 VanDerWaalsContact O-N 3.14Å; P7-K10 PolarHBondContact O-N 3.3Å
8	T	54.3	Low	58.8	Low	69 Å²	69	98.4 Å²	98.4	42%	0.423	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-58.1	-18.5	172.7	49.3	0	0	0	0	114.6	V6	V6-T8 VanDerWaalsContact CG1-OG1 3.26Å; V6-T8 WeakPolarHBondContact CG1-OG1 3.37Å; V6-T8 PolarHBondContact O-N 3.1Å
9	Y	65.7	Low	57.9	Low	104 Å²	104	98.9 Å²	98.9	41%	0.408	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-105.5	27.6	-179.6	-56.3	-57.5	0	0	0	112.6	V6 P7 R343	V6-Y9 HydrophobicContact CB-CD2 3.61Å; V6-Y9 HydrophobicContact CB-CE2 3.68Å; V6-Y9 HydrophobicContact CG2-CD2 4.07Å; V6-Y9 HydrophobicContact CG2-CE2 3.8Å; V6-Y9 WeakPolarHBondContact O-CB 3.43Å; V6-Y9 PolarHBondContact O-N 3.29Å; P7-Y9 PolarHBondContact O-N 3.11Å; P7-Y9 VanDerWaalsContact O-N 3.14Å; Y9-R343 VanDerWaalsContact C-CZ 3.41Å; Y9-R343 PolarHBondContact O-NH1 3.09Å; Y9-R343 PolarHBondContact O-NH2 3.08Å
10	K	84.1	Confident	57.4	Low	119 Å²	119	101.3 Å²	101.3	52%	0.517	54%	0.539	S	S	.	.	S	Bend	trans	-114.1	157	161.1	-72.3	-175.9	179.5	176.2	0	109.6	E5 P7 T12	E5-K10 WeakPolarHBondContact OE2-CE 3.5Å; E5-K10 IonicContact OE2-NZ 2.93Å; P7-K10 PolarHBondContact O-N 3.3Å; K10-T12 PolarHBondContact O-N 2.65Å
11	F	91	Very high	56.2	Low	20 Å²	20	102.6 Å²	102.6	9%	0.088	56%	0.557	C	S	.	*	P	Polyproline II helix	trans	-70.3	126.2	167.3	-82.2	-88.1	0	0	0	108.6	V288 R304 L305 P306 L322 V341 R342 R343	F11-V288 HydrophobicContact CE2-CG2 3.77Å; F11-V288 HydrophobicContact CZ-CG2 4.11Å; F11-R304 VanDerWaalsContact CD2-O 3.23Å; F11-R304 WeakPolarHBondContact CD2-O 3.38Å; F11-L305 HydrophobicContact CD1-CD2 4.07Å; F11-L305 HydrophobicContact CD2-CD2 4.44Å; F11-L305 HydrophobicContact CE1-CD2 3.72Å; F11-L305 HydrophobicContact CE2-CD2 4.13Å; F11-L305 HydrophobicContact CG-CD2 4.41Å; F11-L305 HydrophobicContact CZ-CD2 3.75Å; F11-P306 HydrophobicContact CB-CG 4.01Å; F11-L322 HydrophobicContact CE1-CD2 3.62Å; F11-L322 HydrophobicContact CZ-CD2 3.92Å; F11-V341 HydrophobicContact CB-CB 4.45Å; F11-V341 HydrophobicContact CD1-CB 4.15Å; F11-V341 HydrophobicContact CD1-CG2 3.81Å; F11-V341 HydrophobicContact CE1-CG2 4.38Å; F11-R342 WeakPolarHBondContact CA-O 3.14Å; F11-R343 HydrophobicContact CD1-CB 3.72Å; F11-R343 HydrophobicContact CD2-CB 4.43Å; F11-R343 HydrophobicContact CE1-CB 3.68Å; F11-R343 HydrophobicContact CE2-CB 4.38Å; F11-R343 HydrophobicContact CG-CB 4.11Å; F11-R343 HydrophobicContact CZ-CB 4.03Å
12	T	90.2	Very high	56.5	Low	68 Å²	68	94.6 Å²	94.6	42%	0.417	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.9	173.7	-50.8	0	0	0	0	108.5	K10 V341 R342	K10-T12 PolarHBondContact O-N 2.65Å; T12-V341 CarbonylContact O-C 3.57Å; T12-V341 VanDerWaalsContact O-CA 3.24Å; T12-V341 WeakPolarHBondContact O-CA 3.48Å; T12-R342 PolarHBondContact N-O 2.94Å; T12-R342 PolarHBondContact O-N 3.46Å
13	V	89.6	Confident	56.5	Low	63 Å²	63	98.4 Å²	98.4	38%	0.382	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126.3	170.4	179.4	0	0	0	0	108.3	E15 P306 V341	V13-E15 HydrophobicContact CG1-CG 4.38Å; V13-E15 PolarHBondContact O-N 3.18Å; V13-P306 HydrophobicContact CG2-CB 4.37Å; V13-P306 HydrophobicContact CG2-CG 4.13Å; V13-V341 HydrophobicContact CG2-CG1 4.02Å
14	L	83.9	Confident	56.5	Low	13 Å²	13	99.4 Å²	99.4	7%	0.068	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	102.4	174.6	-52.9	-170.4	0	0	0	108.2	M77 E82 T340 R342	L14-M77 HydrophobicContact CD1-SD 4.31Å; L14-E82 HydrophobicContact CB-CB 4.42Å; L14-E82 HydrophobicContact CD1-CG 4.34Å; L14-E82 HydrophobicContact CD2-CB 4.48Å; L14-E82 HydrophobicContact CD2-CG 3.72Å; L14-E82 WeakPolarHBondContact CD2-OE1 3.43Å; L14-E82 HydrophobicContact CG-CG 4.42Å; L14-T340 HydrophobicContact CB-CG2 4.37Å; L14-T340 HydrophobicContact CD1-CG2 3.78Å; L14-T340 HydrophobicContact CG-CG2 4.24Å; L14-T340 PolarHBondContact N-O 3.25Å; L14-R342 HydrophobicContact CD1-CB 4.46Å; L14-R342 HydrophobicContact CD1-CG 4.34Å; L14-R342 HydrophobicContact CD2-CG 3.71Å; L14-R342 HydrophobicContact CG-CG 4.26Å
15	E	69.2	Low	56.4	Low	150 Å²	150	99.3 Å²	99.3	70%	0.701	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-79.4	144.8	174.9	-66.6	-171.4	172.5	0	0	110.4	V13	V13-E15 HydrophobicContact CG1-CG 4.38Å; V13-E15 PolarHBondContact O-N 3.18Å
16	A	55.8	Low	56.2	Low	43 Å²	43	104.3 Å²	104.3	36%	0.355	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-64	135.2	172.7	0	0	0	0	0	108.5
17	P	50.5	Low	55.6	Low	65 Å²	65	106.7 Å²	106.7	42%	0.422	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-56.8	136.6	175.7	22	-31	0	0	0	109
18	P	42.2	Very low	54.9	Low	105 Å²	105	111.2 Å²	111.2	68%	0.682	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-54.7	150.8	-176.2	19.5	-30.6	0	0	0	111.1	R20	P18-R20 PolarHBondContact O-N 3.45Å
19	P	41.6	Very low	54	Low	108 Å²	108	117 Å²	117	70%	0.701	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-53.5	135.3	172.4	22.5	-30.7	0	0	0	108.6	S21	P19-S21 PolarHBondContact O-N 2.85Å
20	R	49	Very low	52.5	Low	146 Å²	146	118.2 Å²	118.2	55%	0.551	60%	0.599	S	S	*	*			trans	-61.1	103.4	-176.5	-74	-178.2	174.9	179.2	-3.4	108.5	P18 G22	P18-R20 PolarHBondContact O-N 3.45Å; R20-G22 VanDerWaalsContact C-N 3.29Å; R20-G22 PolarHBondContact O-N 3.44Å
21	S	32.2	Very low	50.2	Low	129 Å²	129	119.7 Å²	119.7	90%	0.902	61%	0.605	S	S	*	*			trans	-78	83.9	168.2	60.7	0	0	0	0	108.3	P19	P19-S21 PolarHBondContact O-N 2.85Å
22	G	37	Very low	47.4	Very low	61 Å²	61	127.1 Å²	127.1	63%	0.629	64%	0.64	S	S	*	*			trans	-151.5	100	179.3	0	0	0	0	0	111.3	R20 L24	R20-G22 VanDerWaalsContact C-N 3.29Å; R20-G22 PolarHBondContact O-N 3.44Å; G22-L24 PolarHBondContact O-N 3.22Å
23	R	33.4	Very low	44.9	Very low	245 Å²	245	131.7 Å²	131.7	93%	0.925	66%	0.657	S	S	*	*	S	Bend	trans	28.5	85.5	160.7	-80.6	179.8	166.7	176.4	-3.1	116.7
24	L	34.4	Very low	42.3	Very low	137 Å²	137	137.5 Å²	137.5	72%	0.717	68%	0.677	S	S	*	*			trans	-171.6	64	145.1	-101.3	144.4	0	0	0	108.8	G22 F26 F27	G22-L24 PolarHBondContact O-N 3.22Å; L24-F26 PolarHBondContact O-N 2.75Å; L24-F27 HydrophobicContact CD2-CD2 3.88Å
25	Q	37.3	Very low	40.9	Very low	179 Å²	179	141.8 Å²	141.8	84%	0.836	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	5.9	169.7	-88.2	-167	-10.4	0	0	113.3
26	F	39.9	Very low	40.3	Very low	190 Å²	190	139.8 Å²	139.8	83%	0.833	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-6.6	-174.9	-127.5	-92.1	0	0	0	115.3	L24	L24-F26 PolarHBondContact O-N 2.75Å
27	F	34.2	Very low	40.8	Very low	117 Å²	117	141.2 Å²	141.2	51%	0.513	71%	0.712	S	S	.	*			trans	-126.8	25.9	179.9	-76.8	-78	0	0	0	114	L24 H29 L30	L24-F27 HydrophobicContact CD2-CD2 3.88Å; F27-H29 PolarHBondContact O-N 3.49Å; F27-H29 VanDerWaalsContact O-N 3.1Å; F27-L30 HydrophobicContact CD1-CD1 4.17Å; F27-L30 HydrophobicContact CE1-CD1 4.36Å; F27-L30 PolarHBondContact O-N 3.4Å
28	R	37.7	Very low	42.1	Very low	205 Å²	205	144.8 Å²	144.8	77%	0.774	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	3.5	-179.3	-145.4	179	176.1	-179	-2.4	114.2
29	H	35.8	Very low	44.3	Very low	190 Å²	190	145.2 Å²	145.2	88%	0.88	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	1.4	179.6	-98	27.7	0	0	0	114.6	F27	F27-H29 PolarHBondContact O-N 3.49Å; F27-H29 VanDerWaalsContact O-N 3.1Å
30	L	34.5	Very low	46.8	Very low	130 Å²	130	140 Å²	140	68%	0.681	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	-2.2	-177	-81.1	162.4	0	0	0	114.7	F27	F27-L30 HydrophobicContact CD1-CD1 4.17Å; F27-L30 HydrophobicContact CE1-CD1 4.36Å; F27-L30 PolarHBondContact O-N 3.4Å
31	F	34.7	Very low	48.9	Very low	149 Å²	149	135.5 Å²	135.5	65%	0.654	66%	0.657	S	S	*	*			trans	-135.4	107.7	166.6	-64.5	-83	0	0	0	108.4	E33	F31-E33 HydrophobicContact CB-CG 4.02Å; F31-E33 PolarHBondContact O-N 2.89Å
32	E	32.4	Very low	51.9	Low	176 Å²	176	130.6 Å²	130.6	82%	0.822	62%	0.622	S	S	*	*			trans	-61.4	74	143.3	-80.9	-177.3	151.6	0	0	106.4	F34	E32-F34 PolarHBondContact O-N 2.93Å
33	E	36.7	Very low	54.8	Low	164 Å²	164	127.7 Å²	127.7	77%	0.766	59%	0.592	S	S	*	*			trans	-61.9	99	158.2	-82.3	-172.7	168.9	0	0	104.4	F31 S35	F31-E33 HydrophobicContact CB-CG 4.02Å; F31-E33 PolarHBondContact O-N 2.89Å; E33-S35 PolarHBondContact O-N 3.04Å
34	F	36.3	Very low	57.8	Low	185 Å²	185	116.4 Å²	116.4	81%	0.811	55%	0.551	S	S	*	*			trans	-49.1	95.4	159.5	-81.3	-89.5	0	0	0	106.1	E32 V36	E32-F34 PolarHBondContact O-N 2.93Å; F34-V36 PolarHBondContact O-N 3.44Å
35	S	53.5	Low	60.8	Low	104 Å²	104	110 Å²	110	73%	0.727	52%	0.518	S	S	*	.			trans	-67.9	104.9	-169.7	59.8	0	0	0	0	106.7	E33 P37	E33-S35 PolarHBondContact O-N 3.04Å; S35-P37 WeakPolarHBondContact O-CD 3.18Å; S35-P37 VanDerWaalsContact O-N 3.09Å
36	V	57.3	Low	63.7	Low	108 Å²	108	101.6 Å²	101.6	66%	0.655	48%	0.478	S	S	*	.			trans	-52.3	122	177.9	179.5	0	0	0	0	107.2	F34 R38	F34-V36 PolarHBondContact O-N 3.44Å; V36-R38 PolarHBondContact O-N 2.87Å
37	P	65.5	Low	66.4	Low	73 Å²	73	94 Å²	94	47%	0.474	44%	0.444	S	S	.	.			trans	-56.1	130.7	-176	15.9	-27	0	0	0	109.6	S35 R39 W75	S35-P37 WeakPolarHBondContact O-CD 3.18Å; S35-P37 VanDerWaalsContact O-N 3.09Å; P37-R39 PolarHBondContact O-N 2.94Å; P37-W75 HydrophobicContact CB-CH2 4.11Å; P37-W75 HydrophobicContact CB-CZ2 4.45Å; P37-W75 HydrophobicContact CG-CH2 4.08Å; P37-W75 HydrophobicContact CG-CZ2 4.19Å; P37-W75 VanDerWaalsContact O-CH2 3.28Å; P37-W75 WeakPolarHBondContact O-CH2 3.24Å
38	R	79	Confident	69.5	Low	139 Å²	139	89.1 Å²	89.1	53%	0.525	42%	0.423	S	S	.	.	S	Bend	trans	-80.1	-7.4	179	-68.2	-172.4	178.8	-170.2	-0.6	113.2	V36 W84	V36-R38 PolarHBondContact O-N 2.87Å; R38-W84 WeakPolarHBondContact O-CB 3.32Å
39	R	88.1	Confident	72.3	Confident	114 Å²	114	80.1 Å²	80.1	43%	0.43	39%	0.391	S	S	.	.	S	Bend	trans	-155.9	156.7	179.7	67.4	178.3	179.5	-170.6	-0.2	110.1	P37 W84	P37-R39 PolarHBondContact O-N 2.94Å; R39-W84 HydrophobicContact CB-CB 4.3Å; R39-W84 HydrophobicContact CB-CG 4.21Å
40	P	93.7	Very high	75.2	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-64.9	143.8	174	6.1	-1.8	0	0	0	111.6	W75 W84 F325 C338	P40-W75 HydrophobicContact CB-CD2 3.81Å; P40-W75 HydrophobicContact CB-CG 3.8Å; P40-W75 HydrophobicContact CB-CZ2 4.4Å; P40-W75 HydrophobicContact CG-CB 3.98Å; P40-W75 HydrophobicContact CG-CD2 3.66Å; P40-W75 HydrophobicContact CG-CE3 4.06Å; P40-W75 HydrophobicContact CG-CG 3.62Å; P40-W84 HydrophobicContact CG-CD2 3.77Å; P40-W84 HydrophobicContact CG-CE3 3.42Å; P40-W84 VanDerWaalsContact CG-CE3 3.42Å; P40-W84 HydrophobicContact CG-CG 4.47Å; P40-W84 HydrophobicContact CG-CH2 4.09Å; P40-W84 HydrophobicContact CG-CZ2 4.39Å; P40-W84 HydrophobicContact CG-CZ3 3.6Å; P40-F325 HydrophobicContact CB-CE1 4.04Å; P40-F325 HydrophobicContact CB-CZ 3.66Å; P40-F325 HydrophobicContact CG-CE1 3.89Å; P40-F325 HydrophobicContact CG-CE2 4.24Å; P40-F325 HydrophobicContact CG-CZ 3.58Å; P40-C338 WeakPolarHBondContact O-CB 3.35Å
41	Q	93.6	Very high	78	Confident	50 Å²	50	67.4 Å²	67.4	23%	0.234	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-61	162.2	172.5	68	176.7	38.2	0	0	112.7	R43 H65 I71	Q41-R43 PolarHBondContact O-N 2.78Å; Q41-R43 PolarHBondContact O-NE 3.16Å; Q41-H65 VanDerWaalsContact NE2-CB 3.27Å; Q41-H65 VanDerWaalsContact NE2-CG 3.32Å; Q41-H65 PolarHBondContact NE2-ND1 3.15Å; Q41-H65 PolarHBondContact OE1-ND1 3.32Å; Q41-H65 VanDerWaalsContact OE1-ND1 3.11Å; Q41-I71 HydrophobicContact CG-CD1 4.13Å
42	P	95.4	Very high	80.5	Confident	26 Å²	26	62.5 Å²	62.5	17%	0.169	31%	0.312	C	S	.	.	S	Bend	trans	-53.1	134.1	172.4	-25.4	35	0	0	0	112	S62 R336 T337 C338	P42-S62 WeakPolarHBondContact O-CB 3.22Å; P42-S62 PolarHBondContact O-OG 2.74Å; P42-R336 HydrophobicContact CB-CB 3.8Å; P42-T337 VanDerWaalsContact CA-O 3.24Å; P42-T337 WeakPolarHBondContact CA-O 3.28Å; P42-C338 HydrophobicContact CB-CB 4.45Å; P42-C338 HydrophobicContact CG-CB 4.02Å
43	R	97.1	Very high	83.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.273	C	S	.	.			trans	-156.3	152.5	-175.4	63.9	-176.9	74.5	-165	-4	113.4	Q41 H46 G59 Y61 I71 E73 F325 G327 T337	Q41-R43 PolarHBondContact O-N 2.78Å; Q41-R43 PolarHBondContact O-NE 3.16Å; R43-H46 HydrophobicContact CG-CB 4.5Å; R43-G59 WeakPolarHBondContact CD-O 3.38Å; R43-G59 PolarHBondContact NH1-O 3.04Å; R43-Y61 WeakPolarHBondContact CA-O 3.4Å; R43-I71 HydrophobicContact CB-CD1 3.42Å; R43-I71 VanDerWaalsContact CB-CD1 3.42Å; R43-I71 HydrophobicContact CG-CD1 4.41Å; R43-E73 IonicContact CZ-OE2 3.44Å; R43-E73 IonicContact NH1-OE2 3.96Å; R43-E73 IonicContact NH2-OE2 3.79Å; R43-E73 PolarHBondContact NH2-OE2 3.42Å; R43-F325 HydrophobicContact CG-CE1 3.84Å; R43-F325 HydrophobicContact CG-CZ 4.25Å; R43-G327 PolarHBondContact O-N 3.15Å; R43-T337 PolarHBondContact N-O 2.61Å
44	S	97.4	Very high	85.8	Confident	9 Å²	9	46.6 Å²	46.6	6%	0.063	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-128.5	157.8	173.3	62.4	0	0	0	0	111.1	H46 G60 Y61 F311 R336	S44-H46 PolarHBondContact O-N 3.03Å; S44-G60 CarbonylContact O-C 3.52Å; S44-G60 WeakPolarHBondContact O-CA 3.2Å; S44-Y61 PolarHBondContact N-O 3.26Å; S44-Y61 PolarHBondContact O-N 3.16Å; S44-F311 CarbonylContact C-O 3.57Å; S44-F311 WeakPolarHBondContact CA-O 3.42Å; S44-R336 PolarHBondContact OG-NE 2.93Å; S44-R336 PolarHBondContact OG-NH2 2.81Å
45	G	96.4	Very high	88.6	Confident	3 Å²	3	37.8 Å²	37.8	3%	0.031	20%	0.2	C	C	.	.	S	Bend	trans	72.6	7.3	173.2	0	0	0	0	0	114.8	S99 F311	G45-S99 PolarHBondContact O-N 3.1Å; G45-F311 PolarHBondContact N-O 3.26Å
46	H	97.8	Very high	90.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.165	C	C	.	.			trans	-73.5	168.3	167.4	69.5	-74.4	0	0	0	110.5	R43 S44 S57 V58 G59 G313 F325	R43-H46 HydrophobicContact CG-CB 4.5Å; S44-H46 PolarHBondContact O-N 3.03Å; H46-S57 PolarHBondContact CD2-OG 3.28Å; H46-S57 VanDerWaalsContact CD2-OG 3.25Å; H46-V58 WeakPolarHBondContact CB-O 3.34Å; H46-G59 WeakPolarHBondContact CB-O 3.41Å; H46-G313 PolarHBondContact CE1-N 2.93Å; H46-G313 WeakPolarHBondContact NE2-CA 3.23Å; H46-G313 PolarHBondContact NE2-N 2.82Å; H46-F325 AromaticContact CE1-CD1 3.97Å; H46-F325 PolarHBondContact CE1-O 3.21Å; H46-F325 AromaticContact NE2-CD1 3.33Å; H46-F325 VanDerWaalsContact NE2-CD1 3.33Å; H46-F325 WeakPolarHBondContact NE2-CD1 3.29Å; H46-F325 AromaticContact NE2-CE1 3.96Å; H46-F325 PolarHBondContact NE2-O 3.27Å
47	R	98	Very high	92.7	Very high	31 Å²	31	27.7 Å²	27.7	12%	0.117	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	155.2	173.1	-64.9	-61.1	-157.5	174.5	16.2	110.6	S57 V58 H100 M102 E209	R47-S57 WeakPolarHBondContact O-CA 3.39Å; R47-V58 PolarHBondContact N-O 2.9Å; R47-V58 PolarHBondContact O-N 3.41Å; R47-H100 VanDerWaalsContact CG-O 3.23Å; R47-H100 WeakPolarHBondContact CG-O 3.35Å; R47-H100 PolarHBondContact NE-O 3.24Å; R47-M102 VanDerWaalsContact C-CE 3.45Å; R47-M102 HydrophobicContact CB-CB 3.66Å; R47-M102 HydrophobicContact CB-CE 3.67Å; R47-M102 HydrophobicContact CB-CG 4.48Å; R47-M102 HydrophobicContact CB-SD 4.14Å; R47-M102 HydrophobicContact CG-CB 3.99Å; R47-M102 WeakPolarHBondContact O-CE 3.43Å; R47-E209 IonicContact CZ-OE1 2.78Å; R47-E209 VanDerWaalsContact CZ-OE1 3.31Å; R47-E209 IonicContact NH1-OE1 2.64Å; R47-E209 PolarHBondContact NH1-OE1 3.24Å; R47-E209 IonicContact NH2-OE1 2.94Å; R47-E209 PolarHBondContact NH2-OE1 2.9Å; R47-E209 IonicContact NH2-OE2 2.82Å
48	M	98.2	Very high	94.2	Very high	15 Å²	15	24.2 Å²	24.2	7%	0.074	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.9	175.1	-68.4	164.2	69.3	0	0	110.4	I55 I56 G313 A315 T323 F325	M48-I55 HydrophobicContact CB-CG2 4.43Å; M48-I55 HydrophobicContact CE-CG2 3.17Å; M48-I56 CarbonylContact C-O 3.5Å; M48-I56 WeakPolarHBondContact CA-O 3.5Å; M48-G313 WeakPolarHBondContact SD-CA 3.29Å; M48-A315 HydrophobicContact CB-CB 3.74Å; M48-T323 HydrophobicContact CE-CG2 3.93Å; M48-F325 HydrophobicContact CE-CB 3.9Å; M48-F325 HydrophobicContact SD-CB 3.68Å; M48-F325 HydrophobicContact SD-CD1 4.41Å
49	V	97.8	Very high	95.1	Very high	15 Å²	15	17.6 Å²	17.6	9%	0.091	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	161.5	169.7	-67.8	0	0	0	0	108.9	I56 M102 R104 I109	V49-I56 HydrophobicContact CG2-CB 4.17Å; V49-I56 PolarHBondContact N-O 3.25Å; V49-I56 PolarHBondContact O-N 2.86Å; V49-M102 HydrophobicContact CB-CE 4.23Å; V49-M102 HydrophobicContact CG1-CE 3.71Å; V49-M102 HydrophobicContact CG1-CG 4.37Å; V49-M102 HydrophobicContact CG2-CE 3.89Å; V49-R104 HydrophobicContact CB-CB 4.04Å; V49-R104 HydrophobicContact CG1-CB 4.31Å; V49-R104 HydrophobicContact CG2-CB 4.08Å; V49-I109 HydrophobicContact CG2-CD1 3.79Å; V49-I109 HydrophobicContact CG2-CG1 4Å
50	S	95.9	Very high	95.5	Very high	32 Å²	32	12.2 Å²	12.2	22%	0.224	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	152.5	169.2	48.6	0	0	0	0	111.5	L54 R104 I316	S50-L54 CarbonylContact C-O 3.57Å; S50-L54 WeakPolarHBondContact CA-O 3.34Å; S50-L54 WeakPolarHBondContact CB-O 3.47Å; S50-R104 WeakPolarHBondContact O-CD 3.38Å; S50-I316 WeakPolarHBondContact CB-O 3.07Å; S50-I316 PolarHBondContact OG-O 3.12Å
51	F	93.3	Very high	95.6	Very high	22 Å²	22	13.1 Å²	13.1	10%	0.096	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	106.6	164	179.8	-86.5	0	0	0	106.3	E53 L54 I56 Y107 L132 I376	F51-E53 PolarHBondContact O-N 3.28Å; F51-E53 VanDerWaalsContact O-N 3.13Å; F51-L54 PolarHBondContact N-O 2.76Å; F51-L54 WeakPolarHBondContact O-CB 3.35Å; F51-L54 PolarHBondContact O-N 2.82Å; F51-I56 HydrophobicContact CB-CD1 3.96Å; F51-Y107 HydrophobicContact CE1-CE1 4.22Å; F51-Y107 AromaticContact CE2-CD1 3.69Å; F51-Y107 HydrophobicContact CE2-CD1 3.69Å; F51-Y107 HydrophobicContact CE2-CD2 4.26Å; F51-Y107 AromaticContact CE2-CE1 3.85Å; F51-Y107 HydrophobicContact CE2-CE1 3.85Å; F51-Y107 HydrophobicContact CE2-CE2 4.36Å; F51-Y107 AromaticContact CE2-CG 3.93Å; F51-Y107 HydrophobicContact CE2-CG 3.93Å; F51-Y107 AromaticContact CZ-CD1 3.6Å; F51-Y107 HydrophobicContact CZ-CD1 3.6Å; F51-Y107 HydrophobicContact CZ-CD2 4.48Å; F51-Y107 AromaticContact CZ-CE1 3.26Å; F51-Y107 HydrophobicContact CZ-CE1 3.26Å; F51-Y107 HydrophobicContact CZ-CE2 4.17Å; F51-Y107 HydrophobicContact CZ-CG 4.21Å; F51-Y107 AromaticContact CZ-CZ 3.57Å; F51-L132 HydrophobicContact CB-CD1 4.12Å; F51-L132 HydrophobicContact CD2-CD1 3.5Å; F51-L132 HydrophobicContact CE2-CD1 4.24Å; F51-L132 HydrophobicContact CG-CD1 3.94Å; F51-I376 HydrophobicContact CD1-CG1 4.15Å; F51-I376 HydrophobicContact CE1-CB 4.49Å; F51-I376 HydrophobicContact CE1-CG1 4.33Å; F51-I376 HydrophobicContact CE1-CG2 4.16Å; F51-I376 HydrophobicContact CZ-CG2 4.38Å
52	D	88	Confident	95.6	Very high	46 Å²	46	10.8 Å²	10.8	25%	0.246	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	-112.9	-167.7	-177.5	26.6	0	0	0	111.2	E318 L374	D52-E318 PolarHBondContact O-N 3.41Å; D52-L374 WeakPolarHBondContact OD2-CD2 3.46Å
53	E	88.5	Confident	95.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-0	177.7	-61.8	-65.5	155.3	0	0	113.8	F51 P79 H80 T317 G319 R351 I352 L374	F51-E53 PolarHBondContact O-N 3.28Å; F51-E53 VanDerWaalsContact O-N 3.13Å; E53-P79 WeakPolarHBondContact O-CD 3.26Å; E53-P79 WeakPolarHBondContact O-CG 3.37Å; E53-H80 IonicContact OE2-CE1 2.98Å; E53-H80 IonicContact OE2-NE2 3.3Å; E53-H80 PolarHBondContact OE2-NE2 2.96Å; E53-T317 WeakPolarHBondContact O-CG2 3.33Å; E53-T317 WeakPolarHBondContact OE2-CB 3.46Å; E53-T317 PolarHBondContact OE2-OG1 3.07Å; E53-G319 VanDerWaalsContact OE1-CA 3.25Å; E53-G319 WeakPolarHBondContact OE1-CA 3.24Å; E53-G319 PolarHBondContact OE1-N 3.35Å; E53-R351 IonicContact OE1-CZ 2.64Å; E53-R351 IonicContact OE1-NH2 2.75Å; E53-R351 PolarHBondContact OE1-NH2 3.03Å; E53-I352 HydrophobicContact CG-CD1 3.9Å; E53-L374 HydrophobicContact CB-CB 4.4Å; E53-L374 HydrophobicContact CB-CD1 3.41Å; E53-L374 VanDerWaalsContact CB-CD1 3.41Å; E53-L374 HydrophobicContact CB-CD2 3.65Å; E53-L374 HydrophobicContact CB-CG 3.95Å; E53-L374 HydrophobicContact CG-CD1 4.12Å; E53-L374 HydrophobicContact CG-CD2 3.72Å; E53-L374 HydrophobicContact CG-CG 4.48Å
54	L	91.5	Very high	94.9	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.031	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	153.6	172.7	-64.8	-180	0	0	0	111.1	S50 F51 I76 N78 L374 I376	S50-L54 CarbonylContact C-O 3.57Å; S50-L54 WeakPolarHBondContact CA-O 3.34Å; S50-L54 WeakPolarHBondContact CB-O 3.47Å; F51-L54 PolarHBondContact N-O 2.76Å; F51-L54 WeakPolarHBondContact O-CB 3.35Å; F51-L54 PolarHBondContact O-N 2.82Å; L54-I76 HydrophobicContact CB-CG2 4.2Å; L54-I76 HydrophobicContact CD1-CG2 3.67Å; L54-I76 HydrophobicContact CD2-CG2 3.96Å; L54-I76 HydrophobicContact CG-CG2 4.17Å; L54-N78 HydrophobicContact CD2-CB 3.79Å; L54-L374 WeakPolarHBondContact CD1-O 3.32Å; L54-L374 HydrophobicContact CD2-CB 4.2Å; L54-L374 VanDerWaalsContact CD2-O 3.27Å; L54-L374 WeakPolarHBondContact CD2-O 3.31Å; L54-L374 HydrophobicContact CG-CB 4.32Å; L54-L374 WeakPolarHBondContact CG-O 3.24Å; L54-I376 HydrophobicContact CD1-CG1 4.08Å
55	I	95.6	Very high	94.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.2	172.2	-58.6	-57.6	0	0	0	108.4	M48 I76 M77 P79 A315 T317	M48-I55 HydrophobicContact CB-CG2 4.43Å; M48-I55 HydrophobicContact CE-CG2 3.17Å; I55-I76 CarbonylContact O-C 3.49Å; I55-I76 WeakPolarHBondContact O-CA 3.43Å; I55-M77 HydrophobicContact CB-CB 4.28Å; I55-M77 HydrophobicContact CB-CE 3.82Å; I55-M77 HydrophobicContact CG1-CE 3.72Å; I55-M77 HydrophobicContact CG2-CE 4.2Å; I55-M77 PolarHBondContact N-O 3.16Å; I55-M77 PolarHBondContact O-N 3.47Å; I55-P79 HydrophobicContact CG1-CG 4.47Å; I55-A315 HydrophobicContact CD1-CB 3.81Å; I55-A315 HydrophobicContact CG2-CB 4.04Å; I55-T317 HydrophobicContact CD1-CG2 3.78Å; I55-T317 HydrophobicContact CG1-CG2 4.35Å
56	I	97.2	Very high	93.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.4	-178.9	-49.4	179.4	0	0	0	108.1	M48 V49 F51 V58 V74 W75 I76 I109 L132	M48-I56 CarbonylContact C-O 3.5Å; M48-I56 WeakPolarHBondContact CA-O 3.5Å; V49-I56 HydrophobicContact CG2-CB 4.17Å; V49-I56 PolarHBondContact N-O 3.25Å; V49-I56 PolarHBondContact O-N 2.86Å; F51-I56 HydrophobicContact CB-CD1 3.96Å; I56-V58 HydrophobicContact CG2-CG2 4.28Å; I56-V74 HydrophobicContact CG2-CG1 3.62Å; I56-W75 CarbonylContact C-O 3.41Å; I56-W75 VanDerWaalsContact CA-O 3.3Å; I56-W75 WeakPolarHBondContact CA-O 3.46Å; I56-I76 HydrophobicContact CG1-CG1 4.33Å; I56-I109 HydrophobicContact CB-CD1 4.02Å; I56-I109 HydrophobicContact CD1-CD1 3.99Å; I56-I109 HydrophobicContact CG2-CD1 3.58Å; I56-L132 HydrophobicContact CD1-CD1 3.68Å; I56-L132 HydrophobicContact CD1-CD2 3.53Å; I56-L132 HydrophobicContact CD1-CG 4.26Å
57	S	97.9	Very high	93	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.4	175.8	172.5	0	0	0	0	109.6	H46 R47 V74 W75	H46-S57 PolarHBondContact CD2-OG 3.28Å; H46-S57 VanDerWaalsContact CD2-OG 3.25Å; R47-S57 WeakPolarHBondContact O-CA 3.39Å; S57-V74 WeakPolarHBondContact O-CA 3.16Å; S57-W75 PolarHBondContact N-O 2.89Å; S57-W75 PolarHBondContact O-N 3.48Å
58	V	97.9	Very high	92.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.2	-179.9	-178.4	0	0	0	0	110.1	H46 R47 I56 V74 L97 H100 M102 I109 L111 W137	H46-V58 WeakPolarHBondContact CB-O 3.34Å; R47-V58 PolarHBondContact N-O 2.9Å; R47-V58 PolarHBondContact O-N 3.41Å; I56-V58 HydrophobicContact CG2-CG2 4.28Å; V58-V74 HydrophobicContact CG1-CG2 4.31Å; V58-V74 HydrophobicContact CG2-CG1 4.06Å; V58-V74 HydrophobicContact CG2-CG2 4.2Å; V58-L97 HydrophobicContact CG1-CD2 4.3Å; V58-H100 PolarHBondContact O-CE1 3.46Å; V58-H100 VanDerWaalsContact O-CE1 3.25Å; V58-M102 HydrophobicContact CB-CE 4.19Å; V58-M102 HydrophobicContact CB-SD 3.56Å; V58-M102 VanDerWaalsContact CB-SD 3.56Å; V58-M102 HydrophobicContact CG1-SD 4.28Å; V58-M102 HydrophobicContact CG2-CE 4Å; V58-M102 HydrophobicContact CG2-SD 3.49Å; V58-M102 WeakPolarHBondContact CG2-SD 3.14Å; V58-I109 HydrophobicContact CG2-CD1 4.22Å; V58-L111 HydrophobicContact CG1-CD1 4.03Å; V58-W137 HydrophobicContact CG1-CH2 4.27Å; V58-W137 HydrophobicContact CG1-CZ2 4.13Å
59	G	97	Very high	92.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.			trans	72.2	-147.7	164.1	0	0	0	0	0	115.5	R43 H46 I71 E73	R43-G59 WeakPolarHBondContact CD-O 3.38Å; R43-G59 PolarHBondContact NH1-O 3.04Å; H46-G59 WeakPolarHBondContact CB-O 3.41Å; G59-I71 CarbonylContact C-O 3.28Å; G59-I71 WeakPolarHBondContact CA-O 3.29Å; G59-E73 PolarHBondContact N-O 3.18Å
60	G	96.7	Very high	92.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.179	C	C	.	.			trans	109.1	-167.6	179.7	0	0	0	0	0	113.9	S44 I71 L97	S44-G60 CarbonylContact O-C 3.52Å; S44-G60 WeakPolarHBondContact O-CA 3.2Å; G60-I71 PolarHBondContact O-N 2.83Å; G60-L97 WeakPolarHBondContact CA-O 3.22Å; G60-L97 PolarHBondContact N-O 3.42Å
61	Y	96.3	Very high	92.1	Very high	20 Å²	20	31 Å²	31	8%	0.078	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-136.4	142.5	-179.7	173	-92.4	0	0	0	111.4	R43 S44 T63 N68 G69 I70 Y117 F119 R336	R43-Y61 WeakPolarHBondContact CA-O 3.4Å; S44-Y61 PolarHBondContact N-O 3.26Å; S44-Y61 PolarHBondContact O-N 3.16Å; Y61-T63 HydrophobicContact CE1-CG2 3.95Å; Y61-N68 WeakPolarHBondContact CE2-O 3.06Å; Y61-G69 CarbonylContact C-O 3.54Å; Y61-G69 VanDerWaalsContact CA-O 3.23Å; Y61-G69 WeakPolarHBondContact CA-O 3.34Å; Y61-G69 WeakPolarHBondContact CD2-O 3.12Å; Y61-I70 HydrophobicContact CD2-CD1 4.18Å; Y61-Y117 HydrophobicContact CD2-CD2 4.39Å; Y61-Y117 AromaticContact CE2-CD2 3.54Å; Y61-Y117 HydrophobicContact CE2-CD2 3.54Å; Y61-Y117 HydrophobicContact CE2-CE2 4.06Å; Y61-Y117 HydrophobicContact CE2-CG 4.11Å; Y61-F119 AromaticContact CD1-CZ 3.78Å; Y61-F119 HydrophobicContact CD1-CZ 3.78Å; Y61-F119 AromaticContact CD2-CE1 3.93Å; Y61-F119 HydrophobicContact CD2-CE1 3.93Å; Y61-F119 AromaticContact CD2-CZ 3.6Å; Y61-F119 HydrophobicContact CD2-CZ 3.6Å; Y61-F119 HydrophobicContact CE1-CE2 4.48Å; Y61-F119 HydrophobicContact CE1-CZ 4.01Å; Y61-F119 HydrophobicContact CE2-CE1 4.39Å; Y61-F119 AromaticContact CE2-CZ 3.82Å; Y61-F119 HydrophobicContact CE2-CZ 3.82Å; Y61-F119 HydrophobicContact CG-CE1 4.1Å; Y61-F119 AromaticContact CG-CZ 3.57Å; Y61-F119 HydrophobicContact CG-CZ 3.57Å; Y61-R336 WeakPolarHBondContact O-CD 3.46Å; Y61-R336 PolarHBondContact O-NE 3.47Å
62	S	95.1	Very high	92.2	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	18%	0.175	C	C	.	.			trans	-146.6	137.8	167.1	-172.5	0	0	0	0	110.9	P42 E64 H65 G69	P42-S62 WeakPolarHBondContact O-CB 3.22Å; P42-S62 PolarHBondContact O-OG 2.74Å; S62-E64 PolarHBondContact O-N 2.99Å; S62-E64 PolarHBondContact OG-N 3.16Å; S62-H65 WeakPolarHBondContact O-CB 3.16Å; S62-H65 PolarHBondContact O-N 3.16Å; S62-H65 VanDerWaalsContact O-N 3.12Å; S62-G69 PolarHBondContact N-O 3.31Å; S62-G69 WeakPolarHBondContact O-CA 3.44Å
63	T	90.1	Very high	92.6	Very high	85 Å²	85	33.5 Å²	33.5	52%	0.521	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.7	172.6	46.7	0	0	0	0	112.9	Y61 H65	Y61-T63 HydrophobicContact CE1-CG2 3.95Å; T63-H65 VanDerWaalsContact C-N 3.34Å
64	E	85.6	Confident	92.9	Very high	143 Å²	143	33.6 Å²	33.6	67%	0.668	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.8	178.2	-62	171.4	-170.3	0	0	112.6	S62	S62-E64 PolarHBondContact O-N 2.99Å; S62-E64 PolarHBondContact OG-N 3.16Å
65	H	86.2	Confident	93.1	Very high	39 Å²	39	33.5 Å²	33.5	18%	0.181	18%	0.178	C	C	.	.	S	Bend	trans	-85.1	149.4	178.7	-153.3	58	0	0	0	111.2	Q41 S62 T63 I70 I71	Q41-H65 VanDerWaalsContact NE2-CB 3.27Å; Q41-H65 VanDerWaalsContact NE2-CG 3.32Å; Q41-H65 PolarHBondContact NE2-ND1 3.15Å; Q41-H65 PolarHBondContact OE1-ND1 3.32Å; Q41-H65 VanDerWaalsContact OE1-ND1 3.11Å; S62-H65 WeakPolarHBondContact O-CB 3.16Å; S62-H65 PolarHBondContact O-N 3.16Å; S62-H65 VanDerWaalsContact O-N 3.12Å; T63-H65 VanDerWaalsContact C-N 3.34Å; H65-I70 PolarHBondContact CD2-O 3.47Å; H65-I71 HydrophobicContact CB-CG1 4.19Å
66	S	83.5	Confident	93.1	Very high	89 Å²	89	33.6 Å²	33.6	62%	0.622	18%	0.178	S	C	*	.	S	Bend	trans	-66.5	-177.1	163	53.7	0	0	0	0	111	N68 G69	S66-N68 PolarHBondContact O-N 2.91Å; S66-G69 PolarHBondContact O-N 3.48Å; S66-G69 VanDerWaalsContact O-N 3.1Å
67	D	82.6	Confident	92.7	Very high	80 Å²	80	33.6 Å²	33.6	43%	0.428	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	56.8	53.4	176.7	-161.1	16.5	0	0	0	113.3	G69 I70 K72	D67-G69 PolarHBondContact O-N 2.97Å; D67-I70 PolarHBondContact O-N 2.97Å; D67-K72 WeakPolarHBondContact OD2-CE 3.48Å; D67-K72 IonicContact OD2-NZ 2.71Å; D67-K72 PolarHBondContact OD2-NZ 3.31Å
68	N	88	Confident	92.2	Very high	112 Å²	112	34.1 Å²	34.1	60%	0.599	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	54.2	23.3	-177.6	-63.8	-37	0	0	0	114.1	Y61 S66 I70 Y117	Y61-N68 WeakPolarHBondContact CE2-O 3.06Å; S66-N68 PolarHBondContact O-N 2.91Å; N68-I70 VanDerWaalsContact C-N 3.34Å; N68-Y117 HydrophobicContact CB-CD1 3.88Å; N68-Y117 HydrophobicContact CB-CG 4.29Å; N68-Y117 WeakPolarHBondContact O-CB 3.31Å; N68-Y117 VanDerWaalsContact O-CG 3.3Å
69	G	93.3	Very high	91.5	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.031	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	85.7	-4.4	178.4	0	0	0	0	0	115.1	Y61 S62 S66 D67 I71	Y61-G69 CarbonylContact C-O 3.54Å; Y61-G69 VanDerWaalsContact CA-O 3.23Å; Y61-G69 WeakPolarHBondContact CA-O 3.34Å; Y61-G69 WeakPolarHBondContact CD2-O 3.12Å; S62-G69 PolarHBondContact N-O 3.31Å; S62-G69 WeakPolarHBondContact O-CA 3.44Å; S66-G69 PolarHBondContact O-N 3.48Å; S66-G69 VanDerWaalsContact O-N 3.1Å; D67-G69 PolarHBondContact O-N 2.97Å; G69-I71 PolarHBondContact O-N 2.92Å
70	I	95.2	Very high	90.6	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.031	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-81.3	120.2	-177.1	-60.8	-66.2	0	0	0	110.3	Y61 H65 D67 N68 E95 L97 A98	Y61-I70 HydrophobicContact CD2-CD1 4.18Å; H65-I70 PolarHBondContact CD2-O 3.47Å; D67-I70 PolarHBondContact O-N 2.97Å; N68-I70 VanDerWaalsContact C-N 3.34Å; I70-E95 WeakPolarHBondContact CG2-O 3.3Å; I70-L97 HydrophobicContact CG2-CB 3.99Å; I70-A98 HydrophobicContact CD1-CB 3.76Å
71	I	95.7	Very high	89.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.			trans	-90.7	129.2	-177.5	-54.2	166.5	0	0	0	108.8	Q41 R43 G59 G60 H65 G69 E73 L97	Q41-I71 HydrophobicContact CG-CD1 4.13Å; R43-I71 HydrophobicContact CB-CD1 3.42Å; R43-I71 VanDerWaalsContact CB-CD1 3.42Å; R43-I71 HydrophobicContact CG-CD1 4.41Å; G59-I71 CarbonylContact C-O 3.28Å; G59-I71 WeakPolarHBondContact CA-O 3.29Å; G60-I71 PolarHBondContact O-N 2.83Å; H65-I71 HydrophobicContact CB-CG1 4.19Å; G69-I71 PolarHBondContact O-N 2.92Å; I71-E73 HydrophobicContact CG2-CB 4.02Å; I71-E73 HydrophobicContact CG2-CG 3.97Å; I71-L97 WeakPolarHBondContact O-CD1 3.25Å
72	K	95.3	Very high	88.9	Confident	54 Å²	54	39.3 Å²	39.3	24%	0.235	21%	0.208	C	C	.	.			trans	-101.7	-10.3	179.1	-61.4	179.1	179.1	169.5	0	114.6	D67 I93 E95 L97	D67-K72 WeakPolarHBondContact OD2-CE 3.48Å; D67-K72 IonicContact OD2-NZ 2.71Å; D67-K72 PolarHBondContact OD2-NZ 3.31Å; K72-I93 HydrophobicContact CB-CG2 4.21Å; K72-I93 HydrophobicContact CD-CG2 4.39Å; K72-E95 WeakPolarHBondContact CE-OE2 3.44Å; K72-E95 IonicContact NZ-OE1 3.68Å; K72-E95 PolarHBondContact NZ-OE1 2.85Å; K72-E95 IonicContact NZ-OE2 3.29Å; K72-E95 PolarHBondContact NZ-OE2 2.86Å; K72-L97 HydrophobicContact CB-CD1 4.14Å; K72-L97 HydrophobicContact CG-CD1 4.05Å
73	E	94.5	Very high	88.2	Confident	65 Å²	65	41.9 Å²	41.9	30%	0.304	23%	0.227	S	C	.	.			trans	-66.3	143.4	-173.3	-54.7	168.1	162.4	0	0	113	R43 G59 I71 W75	R43-E73 IonicContact CZ-OE2 3.44Å; R43-E73 IonicContact NH1-OE2 3.96Å; R43-E73 IonicContact NH2-OE2 3.79Å; R43-E73 PolarHBondContact NH2-OE2 3.42Å; G59-E73 PolarHBondContact N-O 3.18Å; I71-E73 HydrophobicContact CG2-CB 4.02Å; I71-E73 HydrophobicContact CG2-CG 3.97Å; E73-W75 PolarHBondContact OE2-NE1 3.25Å
74	V	96.7	Very high	88.1	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.8	167.2	-176	0	0	0	0	109.2	I56 S57 V58 L87 T89 L130 W137	I56-V74 HydrophobicContact CG2-CG1 3.62Å; S57-V74 WeakPolarHBondContact O-CA 3.16Å; V58-V74 HydrophobicContact CG1-CG2 4.31Å; V58-V74 HydrophobicContact CG2-CG1 4.06Å; V58-V74 HydrophobicContact CG2-CG2 4.2Å; V74-L87 HydrophobicContact CB-CB 4.21Å; V74-L87 HydrophobicContact CG1-CB 4.03Å; V74-L87 HydrophobicContact CG1-CD2 3.9Å; V74-L87 PolarHBondContact O-N 3.33Å; V74-T89 HydrophobicContact CB-CG2 4.07Å; V74-T89 HydrophobicContact CG2-CG2 3.84Å; V74-L130 HydrophobicContact CG1-CD2 4.27Å; V74-L130 HydrophobicContact CG2-CD2 4.23Å; V74-W137 HydrophobicContact CG2-CZ2 4.02Å
75	W	95.7	Very high	88.3	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.7	-177.7	-75.7	85.5	0	0	0	111.2	P37 P40 I56 S57 E73 W84 R85 P86	P37-W75 HydrophobicContact CB-CH2 4.11Å; P37-W75 HydrophobicContact CB-CZ2 4.45Å; P37-W75 HydrophobicContact CG-CH2 4.08Å; P37-W75 HydrophobicContact CG-CZ2 4.19Å; P37-W75 VanDerWaalsContact O-CH2 3.28Å; P37-W75 WeakPolarHBondContact O-CH2 3.24Å; P40-W75 HydrophobicContact CB-CD2 3.81Å; P40-W75 HydrophobicContact CB-CG 3.8Å; P40-W75 HydrophobicContact CB-CZ2 4.4Å; P40-W75 HydrophobicContact CG-CB 3.98Å; P40-W75 HydrophobicContact CG-CD2 3.66Å; P40-W75 HydrophobicContact CG-CE3 4.06Å; P40-W75 HydrophobicContact CG-CG 3.62Å; I56-W75 CarbonylContact C-O 3.41Å; I56-W75 VanDerWaalsContact CA-O 3.3Å; I56-W75 WeakPolarHBondContact CA-O 3.46Å; S57-W75 PolarHBondContact N-O 2.89Å; S57-W75 PolarHBondContact O-N 3.48Å; E73-W75 PolarHBondContact OE2-NE1 3.25Å; W75-W84 HydrophobicContact CB-CE3 3.77Å; W75-W84 HydrophobicContact CB-CZ3 3.8Å; W75-W84 HydrophobicContact CE3-CB 4.04Å; W75-W84 HydrophobicContact CE3-CE3 4.36Å; W75-W84 HydrophobicContact CG-CE3 4.48Å; W75-W84 HydrophobicContact CZ3-CB 4.23Å; W75-R85 VanDerWaalsContact CE3-C 3.45Å; W75-P86 HydrophobicContact CE3-CB 4.5Å; W75-P86 HydrophobicContact CH2-CB 4.44Å; W75-P86 HydrophobicContact CZ3-CB 4.4Å
76	I	93.8	Very high	88.5	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.8	172.8	-63.8	172.6	0	0	0	108.2	L54 I55 I56 W84 R85 L87 I376	L54-I76 HydrophobicContact CB-CG2 4.2Å; L54-I76 HydrophobicContact CD1-CG2 3.67Å; L54-I76 HydrophobicContact CD2-CG2 3.96Å; L54-I76 HydrophobicContact CG-CG2 4.17Å; I55-I76 CarbonylContact O-C 3.49Å; I55-I76 WeakPolarHBondContact O-CA 3.43Å; I56-I76 HydrophobicContact CG1-CG1 4.33Å; I76-W84 CarbonylContact O-C 3.55Å; I76-W84 WeakPolarHBondContact O-CA 3.35Å; I76-R85 HydrophobicContact CB-CG 4.08Å; I76-R85 PolarHBondContact N-O 2.89Å; I76-R85 PolarHBondContact O-N 2.76Å; I76-L87 HydrophobicContact CD1-CB 3.92Å; I76-L87 HydrophobicContact CD1-CD1 4.05Å; I76-L87 HydrophobicContact CD1-CD2 4.24Å; I76-L87 HydrophobicContact CD1-CG 4.29Å; I76-L87 HydrophobicContact CG1-CB 4.14Å; I76-I376 HydrophobicContact CD1-CD1 3.81Å
77	M	90.5	Very high	88.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.7	175.8	-171.3	-86.1	-73.9	0	0	109.4	L14 I55 P79 S83 W84 T323 T340	L14-M77 HydrophobicContact CD1-SD 4.31Å; I55-M77 HydrophobicContact CB-CB 4.28Å; I55-M77 HydrophobicContact CB-CE 3.82Å; I55-M77 HydrophobicContact CG1-CE 3.72Å; I55-M77 HydrophobicContact CG2-CE 4.2Å; I55-M77 PolarHBondContact N-O 3.16Å; I55-M77 PolarHBondContact O-N 3.47Å; M77-P79 HydrophobicContact CE-CB 4.05Å; M77-P79 WeakPolarHBondContact SD-CA 3.48Å; M77-P79 HydrophobicContact SD-CB 3.81Å; M77-P79 HydrophobicContact SD-CG 4.39Å; M77-S83 WeakPolarHBondContact CA-O 3.36Å; M77-W84 HydrophobicContact CB-CD2 3.63Å; M77-W84 HydrophobicContact CB-CE3 3.51Å; M77-W84 HydrophobicContact CB-CG 4.36Å; M77-W84 HydrophobicContact CB-CH2 3.75Å; M77-W84 HydrophobicContact CB-CZ2 3.85Å; M77-W84 HydrophobicContact CB-CZ3 3.58Å; M77-W84 HydrophobicContact CG-CD2 3.64Å; M77-W84 VanDerWaalsContact CG-CE2 3.4Å; M77-W84 HydrophobicContact CG-CE3 4.08Å; M77-W84 HydrophobicContact CG-CG 4.11Å; M77-W84 HydrophobicContact CG-CH2 4.1Å; M77-W84 HydrophobicContact CG-CZ2 3.66Å; M77-W84 HydrophobicContact CG-CZ3 4.3Å; M77-T323 HydrophobicContact CE-CG2 3.09Å; M77-T340 HydrophobicContact CE-CG2 4.12Å
78	N	87	Confident	89.4	Confident	12 Å²	12	39.2 Å²	39.2	6%	0.064	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	111.7	167.5	179	-28.4	0	0	0	108.1	L54 H80 T81 E82 S83 F373	L54-N78 HydrophobicContact CD2-CB 3.79Å; N78-H80 PolarHBondContact O-N 3.45Å; N78-H80 WeakPolarHBondContact OD1-CA 3.49Å; N78-H80 WeakPolarHBondContact OD1-CB 3.38Å; N78-H80 PolarHBondContact OD1-N 3.27Å; N78-T81 VanDerWaalsContact CB-OG1 3.25Å; N78-T81 WeakPolarHBondContact CB-OG1 3.44Å; N78-T81 PolarHBondContact O-N 3.43Å; N78-T81 PolarHBondContact OD1-N 3.46Å; N78-T81 VanDerWaalsContact OD1-N 3.17Å; N78-E82 WeakPolarHBondContact O-CA 3.32Å; N78-E82 PolarHBondContact O-N 3.26Å; N78-S83 PolarHBondContact N-O 3.35Å; N78-S83 PolarHBondContact O-N 3.47Å; N78-F373 PolarHBondContact ND2-O 3.11Å
79	P	82.9	Confident	89.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.6	-174.5	24.6	-30.9	0	0	0	112.2	E53 I55 M77 T317 R342	E53-P79 WeakPolarHBondContact O-CD 3.26Å; E53-P79 WeakPolarHBondContact O-CG 3.37Å; I55-P79 HydrophobicContact CG1-CG 4.47Å; M77-P79 HydrophobicContact CE-CB 4.05Å; M77-P79 WeakPolarHBondContact SD-CA 3.48Å; M77-P79 HydrophobicContact SD-CB 3.81Å; M77-P79 HydrophobicContact SD-CG 4.39Å; P79-T317 HydrophobicContact CG-CG2 3.94Å; P79-R342 WeakPolarHBondContact O-CD 3.3Å; P79-R342 PolarHBondContact O-NE 2.85Å; P79-R342 VanDerWaalsContact O-NE 3.13Å; P79-R342 PolarHBondContact O-NH1 2.82Å; P79-R342 PolarHBondContact O-NH2 2.94Å
80	H	78.6	Confident	90	Very high	27 Å²	27	39 Å²	39	13%	0.125	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-33.8	-175.8	-48.7	-51.9	0	0	0	112.4	E53 N78 W344 I352 E356	E53-H80 IonicContact OE2-CE1 2.98Å; E53-H80 IonicContact OE2-NE2 3.3Å; E53-H80 PolarHBondContact OE2-NE2 2.96Å; N78-H80 PolarHBondContact O-N 3.45Å; N78-H80 WeakPolarHBondContact OD1-CA 3.49Å; N78-H80 WeakPolarHBondContact OD1-CB 3.38Å; N78-H80 PolarHBondContact OD1-N 3.27Å; H80-W344 AromaticContact CE1-CH2 3.62Å; H80-W344 AromaticContact CE1-CZ2 3.35Å; H80-W344 WeakPolarHBondContact CE1-CZ2 3.15Å; H80-W344 AromaticContact ND1-CZ2 3.78Å; H80-I352 WeakPolarHBondContact ND1-CG2 3.43Å; H80-E356 HydrophobicContact CB-CG 4.49Å
81	T	75.5	Confident	90.1	Very high	36 Å²	36	41.3 Å²	41.3	22%	0.221	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-10.5	173.6	60.3	0	0	0	0	113.3	N78 S83	N78-T81 VanDerWaalsContact CB-OG1 3.25Å; N78-T81 WeakPolarHBondContact CB-OG1 3.44Å; N78-T81 PolarHBondContact O-N 3.43Å; N78-T81 PolarHBondContact OD1-N 3.46Å; N78-T81 VanDerWaalsContact OD1-N 3.17Å; T81-S83 PolarHBondContact O-N 2.84Å; T81-S83 PolarHBondContact OG1-OG 3.39Å
82	E	80.2	Confident	90.1	Very high	65 Å²	65	44.7 Å²	44.7	30%	0.304	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	27.1	179.6	-50.8	-179.3	174.7	0	0	112.5	L14 N78 R342	L14-E82 HydrophobicContact CB-CB 4.42Å; L14-E82 HydrophobicContact CD1-CG 4.34Å; L14-E82 HydrophobicContact CD2-CB 4.48Å; L14-E82 HydrophobicContact CD2-CG 3.72Å; L14-E82 WeakPolarHBondContact CD2-OE1 3.43Å; L14-E82 HydrophobicContact CG-CG 4.42Å; N78-E82 WeakPolarHBondContact O-CA 3.32Å; N78-E82 PolarHBondContact O-N 3.26Å; E82-R342 IonicContact OE1-CZ 3.05Å; E82-R342 IonicContact OE1-NE 2.74Å; E82-R342 IonicContact OE1-NH2 2.74Å; E82-R342 PolarHBondContact OE1-NH2 2.81Å
83	S	80.9	Confident	90.2	Very high	56 Å²	56	44.8 Å²	44.8	39%	0.392	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.1	-177	59.6	0	0	0	0	111.3	M77 N78 T81	M77-S83 WeakPolarHBondContact CA-O 3.36Å; N78-S83 PolarHBondContact N-O 3.35Å; N78-S83 PolarHBondContact O-N 3.47Å; T81-S83 PolarHBondContact O-N 2.84Å; T81-S83 PolarHBondContact OG1-OG 3.39Å
84	W	89.2	Confident	90.2	Very high	30 Å²	30	41.8 Å²	41.8	11%	0.114	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	145.6	166.7	-70.5	88.7	0	0	0	109.8	R38 R39 P40 W75 I76 M77 F325 T340	R38-W84 WeakPolarHBondContact O-CB 3.32Å; R39-W84 HydrophobicContact CB-CB 4.3Å; R39-W84 HydrophobicContact CB-CG 4.21Å; P40-W84 HydrophobicContact CG-CD2 3.77Å; P40-W84 HydrophobicContact CG-CE3 3.42Å; P40-W84 VanDerWaalsContact CG-CE3 3.42Å; P40-W84 HydrophobicContact CG-CG 4.47Å; P40-W84 HydrophobicContact CG-CH2 4.09Å; P40-W84 HydrophobicContact CG-CZ2 4.39Å; P40-W84 HydrophobicContact CG-CZ3 3.6Å; W75-W84 HydrophobicContact CB-CE3 3.77Å; W75-W84 HydrophobicContact CB-CZ3 3.8Å; W75-W84 HydrophobicContact CE3-CB 4.04Å; W75-W84 HydrophobicContact CE3-CE3 4.36Å; W75-W84 HydrophobicContact CG-CE3 4.48Å; W75-W84 HydrophobicContact CZ3-CB 4.23Å; I76-W84 CarbonylContact O-C 3.55Å; I76-W84 WeakPolarHBondContact O-CA 3.35Å; M77-W84 HydrophobicContact CB-CD2 3.63Å; M77-W84 HydrophobicContact CB-CE3 3.51Å; M77-W84 HydrophobicContact CB-CG 4.36Å; M77-W84 HydrophobicContact CB-CH2 3.75Å; M77-W84 HydrophobicContact CB-CZ2 3.85Å; M77-W84 HydrophobicContact CB-CZ3 3.58Å; M77-W84 HydrophobicContact CG-CD2 3.64Å; M77-W84 VanDerWaalsContact CG-CE2 3.4Å; M77-W84 HydrophobicContact CG-CE3 4.08Å; M77-W84 HydrophobicContact CG-CG 4.11Å; M77-W84 HydrophobicContact CG-CH2 4.1Å; M77-W84 HydrophobicContact CG-CZ2 3.66Å; M77-W84 HydrophobicContact CG-CZ3 4.3Å; W84-F325 HydrophobicContact CH2-CB 4.23Å; W84-F325 AromaticContact CH2-CD1 3.83Å; W84-F325 HydrophobicContact CH2-CD1 3.83Å; W84-F325 HydrophobicContact CH2-CD2 4.21Å; W84-F325 HydrophobicContact CH2-CE1 4.27Å; W84-F325 AromaticContact CH2-CG 3.82Å; W84-F325 HydrophobicContact CH2-CG 3.82Å; W84-F325 HydrophobicContact CZ2-CB 4.2Å; W84-F325 HydrophobicContact CZ2-CD1 4.27Å; W84-F325 AromaticContact CZ2-CD2 3.8Å; W84-F325 HydrophobicContact CZ2-CD2 3.8Å; W84-F325 HydrophobicContact CZ2-CE2 4.24Å; W84-F325 AromaticContact CZ2-CG 3.82Å; W84-F325 HydrophobicContact CZ2-CG 3.82Å; W84-T340 HydrophobicContact CZ2-CG2 3.95Å; W84-T340 WeakPolarHBondContact CZ2-OG1 3.44Å; W84-T340 PolarHBondContact NE1-OG1 2.63Å
85	R	88.5	Confident	90	Very high	85 Å²	85	46.3 Å²	46.3	32%	0.321	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	144.5	167.1	65.2	-179.5	-179.2	86.7	-10.1	110.4	W75 I76 E375	W75-R85 VanDerWaalsContact CE3-C 3.45Å; I76-R85 HydrophobicContact CB-CG 4.08Å; I76-R85 PolarHBondContact N-O 2.89Å; I76-R85 PolarHBondContact O-N 2.76Å; R85-E375 IonicContact CZ-OE1 3.96Å; R85-E375 IonicContact NE-OE1 2.76Å; R85-E375 IonicContact NH2-OE1 3.73Å
86	P	91.5	Very high	90	Very high	61 Å²	61	47.4 Å²	47.4	40%	0.396	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	142.7	171.1	29.1	-33.4	0	0	0	109.8	W75	W75-P86 HydrophobicContact CE3-CB 4.5Å; W75-P86 HydrophobicContact CH2-CB 4.44Å; W75-P86 HydrophobicContact CZ3-CB 4.4Å
87	L	92.5	Very high	90	Very high	26 Å²	26	47.3 Å²	47.3	14%	0.136	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.7	162	177.3	63.7	0	0	0	106.8	V74 I76 T89 L130 L132	V74-L87 HydrophobicContact CB-CB 4.21Å; V74-L87 HydrophobicContact CG1-CB 4.03Å; V74-L87 HydrophobicContact CG1-CD2 3.9Å; V74-L87 PolarHBondContact O-N 3.33Å; I76-L87 HydrophobicContact CD1-CB 3.92Å; I76-L87 HydrophobicContact CD1-CD1 4.05Å; I76-L87 HydrophobicContact CD1-CD2 4.24Å; I76-L87 HydrophobicContact CD1-CG 4.29Å; I76-L87 HydrophobicContact CG1-CB 4.14Å; L87-T89 HydrophobicContact CD2-CG2 4.23Å; L87-T89 HydrophobicContact CG-CG2 4.1Å; L87-T89 PolarHBondContact O-N 3.09Å; L87-L130 HydrophobicContact CD2-CD2 4.14Å; L87-L132 HydrophobicContact CD2-CD2 4.37Å
88	Q	91.9	Very high	90.2	Very high	177 Å²	177	47.4 Å²	47.4	83%	0.827	26%	0.261	S	S	*	.			trans	-65.3	126.6	171.6	-74.7	-171.7	-17.9	0	0	108.9
89	T	95.9	Very high	90.6	Very high	29 Å²	29	47.5 Å²	47.5	18%	0.178	26%	0.263	C	S	.	.			trans	-123.7	144.7	178.4	61.2	0	0	0	0	111.8	V74 L87 L130 G135	V74-T89 HydrophobicContact CB-CG2 4.07Å; V74-T89 HydrophobicContact CG2-CG2 3.84Å; L87-T89 HydrophobicContact CD2-CG2 4.23Å; L87-T89 HydrophobicContact CG-CG2 4.1Å; L87-T89 PolarHBondContact O-N 3.09Å; T89-L130 HydrophobicContact CG2-CD1 3.9Å; T89-L130 HydrophobicContact CG2-CD2 4.12Å; T89-G135 CarbonylContact C-O 3.6Å; T89-G135 WeakPolarHBondContact CA-O 3.44Å; T89-G135 WeakPolarHBondContact CB-O 3.28Å
90	T	97.9	Very high	91.2	Very high	83 Å²	83	47.5 Å²	47.5	51%	0.509	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	-178.8	179.3	59.9	0	0	0	0	110.5	G135 W137	T90-G135 PolarHBondContact N-O 2.94Å; T90-W137 PolarHBondContact O-N 2.83Å
91	G	97.3	Very high	92	Very high	53 Å²	53	46.3 Å²	46.3	55%	0.546	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	86.9	-146.8	-180	0	0	0	0	0	112.7	I93	G91-I93 PolarHBondContact O-N 2.98Å; G91-I93 VanDerWaalsContact O-N 3.16Å
92	T	96.9	Very high	93.1	Very high	71 Å²	71	45.3 Å²	45.3	44%	0.436	25%	0.25	S	S	.	.	S	Bend	trans	-87.2	84	-175.4	-43.3	0	0	0	0	110.5	Y128 W137 R139	T92-Y128 HydrophobicContact CG2-CE1 4.12Å; T92-Y128 WeakPolarHBondContact O-CD1 3.3Å; T92-Y128 WeakPolarHBondContact O-CE1 3.39Å; T92-W137 PolarHBondContact N-O 3.42Å; T92-W137 VanDerWaalsContact N-O 3.09Å; T92-W137 VanDerWaalsContact O-CB 3.3Å; T92-W137 WeakPolarHBondContact O-CB 3.2Å; T92-R139 HydrophobicContact CG2-CB 4.03Å
93	I	96	Very high	93.9	Very high	57 Å²	57	43 Å²	43	29%	0.292	24%	0.241	S	C	.	.			trans	-67.3	134.7	-178.9	-59.6	175.2	0	0	0	109.9	K72 G91	K72-I93 HydrophobicContact CB-CG2 4.21Å; K72-I93 HydrophobicContact CD-CG2 4.39Å; G91-I93 PolarHBondContact O-N 2.98Å; G91-I93 VanDerWaalsContact O-N 3.16Å
94	P	95.3	Very high	94.6	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.013	24%	0.239	C	C	.	.			trans	-69.5	144.5	176.8	-10.2	23.1	0	0	0	112.4	L97 L111 Y128 W137	P94-L97 HydrophobicContact CB-CD2 3.86Å; P94-L97 HydrophobicContact CB-CG 4.13Å; P94-L97 HydrophobicContact CG-CD2 4.13Å; P94-L97 VanDerWaalsContact O-CD1 3.27Å; P94-L97 WeakPolarHBondContact O-CD1 3.3Å; P94-L111 HydrophobicContact CB-CD2 4.26Å; P94-L111 HydrophobicContact CG-CD1 4.5Å; P94-L111 HydrophobicContact CG-CD2 4.31Å; P94-Y128 HydrophobicContact CB-CD1 4.14Å; P94-Y128 HydrophobicContact CB-CD2 3.88Å; P94-Y128 HydrophobicContact CB-CE1 4.13Å; P94-Y128 HydrophobicContact CB-CE2 3.86Å; P94-Y128 HydrophobicContact CB-CG 4.01Å; P94-Y128 HydrophobicContact CG-CD1 3.72Å; P94-Y128 HydrophobicContact CG-CD2 3.99Å; P94-Y128 HydrophobicContact CG-CE1 4.15Å; P94-Y128 HydrophobicContact CG-CE2 4.39Å; P94-Y128 HydrophobicContact CG-CG 3.61Å; P94-W137 HydrophobicContact CG-CD2 4.35Å; P94-W137 HydrophobicContact CG-CE3 4.11Å; P94-W137 HydrophobicContact CG-CH2 4.45Å; P94-W137 HydrophobicContact CG-CZ3 4.16Å
95	E	93.3	Very high	94.9	Very high	97 Å²	97	44.5 Å²	44.5	45%	0.453	24%	0.239	S	C	.	.	S	Bend	trans	-96.5	-29.4	179.5	-66.3	-64.7	140	0	0	112.6	I70 K72 L97	I70-E95 WeakPolarHBondContact CG2-O 3.3Å; K72-E95 WeakPolarHBondContact CE-OE2 3.44Å; K72-E95 IonicContact NZ-OE1 3.68Å; K72-E95 PolarHBondContact NZ-OE1 2.85Å; K72-E95 IonicContact NZ-OE2 3.29Å; K72-E95 PolarHBondContact NZ-OE2 2.86Å; E95-L97 PolarHBondContact O-N 2.83Å; E95-L97 VanDerWaalsContact O-N 3.15Å
96	N	93.7	Very high	95	Very high	26 Å²	26	42 Å²	42	14%	0.139	24%	0.24	C	C	.	.			trans	-94.2	57.2	-172	-55.3	85.7	0	0	0	112.3	A98 G114 S115 G116 H122	N96-A98 PolarHBondContact O-N 3.46Å; N96-G114 CarbonylContact O-C 3.46Å; N96-G114 WeakPolarHBondContact O-CA 3.39Å; N96-S115 CarbonylContact C-O 3.46Å; N96-S115 VanDerWaalsContact C-O 3.28Å; N96-S115 PolarHBondContact O-N 3.44Å; N96-G116 PolarHBondContact ND2-N 2.89Å; N96-H122 VanDerWaalsContact ND2-C 3.29Å; N96-H122 PolarHBondContact ND2-O 2.87Å
97	L	95.3	Very high	95.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.237	C	C	.	.			trans	-89	6.9	-167.9	-71.8	173.8	0	0	0	115.7	V58 G60 I70 I71 K72 P94 E95 H100 L111	V58-L97 HydrophobicContact CG1-CD2 4.3Å; G60-L97 WeakPolarHBondContact CA-O 3.22Å; G60-L97 PolarHBondContact N-O 3.42Å; I70-L97 HydrophobicContact CG2-CB 3.99Å; I71-L97 WeakPolarHBondContact O-CD1 3.25Å; K72-L97 HydrophobicContact CB-CD1 4.14Å; K72-L97 HydrophobicContact CG-CD1 4.05Å; P94-L97 HydrophobicContact CB-CD2 3.86Å; P94-L97 HydrophobicContact CB-CG 4.13Å; P94-L97 HydrophobicContact CG-CD2 4.13Å; P94-L97 VanDerWaalsContact O-CD1 3.27Å; P94-L97 WeakPolarHBondContact O-CD1 3.3Å; E95-L97 PolarHBondContact O-N 2.83Å; E95-L97 VanDerWaalsContact O-N 3.15Å; L97-H100 VanDerWaalsContact C-ND1 3.34Å; L97-H100 PolarHBondContact O-CE1 3.25Å; L97-H100 VanDerWaalsContact O-CE1 3.26Å; L97-H100 PolarHBondContact O-ND1 3.06Å; L97-L111 HydrophobicContact CD2-CD1 3.4Å; L97-L111 HydrophobicContact CD2-CD2 4.38Å
98	A	94.4	Very high	95.2	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-91.2	133	166.8	0	0	0	0	0	110.8	I70 N96 H100 G114 S115 F119	I70-A98 HydrophobicContact CD1-CB 3.76Å; N96-A98 PolarHBondContact O-N 3.46Å; A98-H100 PolarHBondContact O-N 2.77Å; A98-H100 VanDerWaalsContact O-N 3.12Å; A98-G114 CarbonylContact O-C 3.54Å; A98-G114 WeakPolarHBondContact O-CA 3.46Å; A98-S115 WeakPolarHBondContact CB-O 3.31Å; A98-S115 PolarHBondContact N-O 3.35Å; A98-S115 PolarHBondContact O-N 2.88Å; A98-F119 HydrophobicContact CB-CD1 4.16Å; A98-F119 HydrophobicContact CB-CE1 3.66Å
99	S	94.9	Very high	95.5	Very high	14 Å²	14	35.3 Å²	35.3	10%	0.098	20%	0.204	C	C	.	.	S	Bend	trans	63	18.1	173.7	-44	0	0	0	0	115.7	G45 G152 R207	G45-S99 PolarHBondContact O-N 3.1Å; S99-G152 PolarHBondContact O-N 3.42Å; S99-R207 VanDerWaalsContact CB-CZ 3.45Å; S99-R207 PolarHBondContact OG-NH2 2.79Å
100	H	96.2	Very high	95.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.197	C	C	.	.			trans	-67.2	161.9	174.9	63.3	-90	0	0	0	111.4	R47 V58 L97 A98 L111 G113	R47-H100 VanDerWaalsContact CG-O 3.23Å; R47-H100 WeakPolarHBondContact CG-O 3.35Å; R47-H100 PolarHBondContact NE-O 3.24Å; V58-H100 PolarHBondContact O-CE1 3.46Å; V58-H100 VanDerWaalsContact O-CE1 3.25Å; L97-H100 VanDerWaalsContact C-ND1 3.34Å; L97-H100 PolarHBondContact O-CE1 3.25Å; L97-H100 VanDerWaalsContact O-CE1 3.26Å; L97-H100 PolarHBondContact O-ND1 3.06Å; A98-H100 PolarHBondContact O-N 2.77Å; A98-H100 VanDerWaalsContact O-N 3.12Å; H100-L111 HydrophobicContact CB-CD1 4.44Å; H100-L111 HydrophobicContact CB-CD2 4.19Å; H100-L111 HydrophobicContact CB-CG 4.21Å; H100-L111 WeakPolarHBondContact CD2-CD1 3.35Å; H100-G113 WeakPolarHBondContact CB-O 3.31Å
101	A	95.3	Very high	95.5	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.017	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.9	171.7	0	0	0	0	0	109.8	L111 F112 V155	A101-L111 WeakPolarHBondContact O-CA 3.27Å; A101-F112 PolarHBondContact N-O 3.08Å; A101-F112 PolarHBondContact O-N 2.81Å; A101-V155 HydrophobicContact CB-CB 4.11Å; A101-V155 HydrophobicContact CB-CG1 3.33Å; A101-V155 HydrophobicContact CB-CG2 3.69Å
102	M	97.4	Very high	95.4	Very high	15 Å²	15	27.9 Å²	27.9	7%	0.074	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	139.3	-175.7	-167.3	173.8	79.2	0	0	112.2	R47 V49 V58 I109 V110	R47-M102 VanDerWaalsContact C-CE 3.45Å; R47-M102 HydrophobicContact CB-CB 3.66Å; R47-M102 HydrophobicContact CB-CE 3.67Å; R47-M102 HydrophobicContact CB-CG 4.48Å; R47-M102 HydrophobicContact CB-SD 4.14Å; R47-M102 HydrophobicContact CG-CB 3.99Å; R47-M102 WeakPolarHBondContact O-CE 3.43Å; V49-M102 HydrophobicContact CB-CE 4.23Å; V49-M102 HydrophobicContact CG1-CE 3.71Å; V49-M102 HydrophobicContact CG1-CG 4.37Å; V49-M102 HydrophobicContact CG2-CE 3.89Å; V58-M102 HydrophobicContact CB-CE 4.19Å; V58-M102 HydrophobicContact CB-SD 3.56Å; V58-M102 VanDerWaalsContact CB-SD 3.56Å; V58-M102 HydrophobicContact CG1-SD 4.28Å; V58-M102 HydrophobicContact CG2-CE 4Å; V58-M102 HydrophobicContact CG2-SD 3.49Å; V58-M102 WeakPolarHBondContact CG2-SD 3.14Å; M102-I109 HydrophobicContact CG-CG2 3.49Å; M102-I109 VanDerWaalsContact CG-CG2 3.49Å; M102-I109 HydrophobicContact SD-CG2 3.49Å; M102-I109 WeakPolarHBondContact SD-CG2 3.29Å; M102-V110 VanDerWaalsContact CA-O 3.31Å; M102-V110 WeakPolarHBondContact CA-O 3.47Å
103	V	97.4	Very high	95.3	Very high	16 Å²	16	24.6 Å²	24.6	10%	0.097	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	166.3	171	-62.5	0	0	0	0	110.6	I105 V110 V155 A157 L162	V103-I105 HydrophobicContact CG2-CD1 4.46Å; V103-I105 HydrophobicContact CG2-CG1 4.26Å; V103-V110 HydrophobicContact CG2-CB 4.02Å; V103-V110 PolarHBondContact N-O 2.69Å; V103-V110 PolarHBondContact O-N 2.61Å; V103-V155 HydrophobicContact CG1-CB 3.96Å; V103-V155 HydrophobicContact CG1-CG2 3.59Å; V103-A157 HydrophobicContact CB-CB 4.28Å; V103-A157 HydrophobicContact CG1-CB 4.46Å; V103-A157 HydrophobicContact CG2-CB 4.06Å; V103-L162 HydrophobicContact CG1-CD1 4.39Å; V103-L162 HydrophobicContact CG2-CD1 3.73Å
104	R	96.2	Very high	95.2	Very high	94 Å²	94	21.9 Å²	21.9	36%	0.355	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.2	171.6	-176.7	-117.1	59.8	135.9	-11.1	110.3	V49 S50 G106 S108	V49-R104 HydrophobicContact CB-CB 4.04Å; V49-R104 HydrophobicContact CG1-CB 4.31Å; V49-R104 HydrophobicContact CG2-CB 4.08Å; S50-R104 WeakPolarHBondContact O-CD 3.38Å; R104-G106 VanDerWaalsContact CD-O 3.31Å; R104-G106 WeakPolarHBondContact CD-O 3.36Å; R104-G106 VanDerWaalsContact CZ-N 3.29Å; R104-G106 PolarHBondContact NH1-O 3.22Å; R104-S108 CarbonylContact C-O 3.54Å; R104-S108 WeakPolarHBondContact CA-O 3.1Å
105	I	94.8	Very high	95.1	Very high	24 Å²	24	21.8 Å²	21.8	12%	0.123	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	108	173.7	-57.3	-179.3	0	0	0	107.5	V103 Y107 S108 V110 A157 F182	V103-I105 HydrophobicContact CG2-CD1 4.46Å; V103-I105 HydrophobicContact CG2-CG1 4.26Å; I105-Y107 PolarHBondContact O-N 2.83Å; I105-S108 PolarHBondContact N-O 2.94Å; I105-S108 WeakPolarHBondContact O-CB 3.37Å; I105-S108 PolarHBondContact O-N 2.89Å; I105-V110 HydrophobicContact CB-CG2 4.47Å; I105-V110 HydrophobicContact CD1-CG2 4.1Å; I105-V110 HydrophobicContact CG1-CG2 4.27Å; I105-A157 HydrophobicContact CD1-CB 4.08Å; I105-A157 HydrophobicContact CG1-CB 4Å; I105-F182 HydrophobicContact CD1-CD2 3.91Å; I105-F182 HydrophobicContact CD1-CE2 3.76Å
106	G	91.2	Very high	95.1	Very high	32 Å²	32	17.5 Å²	17.5	33%	0.33	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-125.2	-175.7	0	0	0	0	0	112.9	R104 S108	R104-G106 VanDerWaalsContact CD-O 3.31Å; R104-G106 WeakPolarHBondContact CD-O 3.36Å; R104-G106 VanDerWaalsContact CZ-N 3.29Å; R104-G106 PolarHBondContact NH1-O 3.22Å; G106-S108 VanDerWaalsContact C-N 3.26Å
107	Y	93.3	Very high	94.9	Very high	87 Å²	87	20.9 Å²	20.9	34%	0.341	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	19.9	175.6	-77.9	-101.3	0	0	0	112.7	F51 I105 L132 R133 I376	F51-Y107 HydrophobicContact CE1-CE1 4.22Å; F51-Y107 AromaticContact CE2-CD1 3.69Å; F51-Y107 HydrophobicContact CE2-CD1 3.69Å; F51-Y107 HydrophobicContact CE2-CD2 4.26Å; F51-Y107 AromaticContact CE2-CE1 3.85Å; F51-Y107 HydrophobicContact CE2-CE1 3.85Å; F51-Y107 HydrophobicContact CE2-CE2 4.36Å; F51-Y107 AromaticContact CE2-CG 3.93Å; F51-Y107 HydrophobicContact CE2-CG 3.93Å; F51-Y107 AromaticContact CZ-CD1 3.6Å; F51-Y107 HydrophobicContact CZ-CD1 3.6Å; F51-Y107 HydrophobicContact CZ-CD2 4.48Å; F51-Y107 AromaticContact CZ-CE1 3.26Å; F51-Y107 HydrophobicContact CZ-CE1 3.26Å; F51-Y107 HydrophobicContact CZ-CE2 4.17Å; F51-Y107 HydrophobicContact CZ-CG 4.21Å; F51-Y107 AromaticContact CZ-CZ 3.57Å; I105-Y107 PolarHBondContact O-N 2.83Å; Y107-L132 VanDerWaalsContact O-CB 3.28Å; Y107-L132 WeakPolarHBondContact O-CB 3.47Å; Y107-L132 PolarHBondContact O-N 2.91Å; Y107-R133 HydrophobicContact CD1-CG 3.54Å; Y107-R133 HydrophobicContact CE1-CG 4.21Å; Y107-R133 VanDerWaalsContact CE1-CZ 3.49Å; Y107-R133 HydrophobicContact CG-CG 4.08Å; Y107-I376 HydrophobicContact CD1-CG2 4.15Å; Y107-I376 HydrophobicContact CE1-CG2 4.09Å
108	S	95.3	Very high	94.6	Very high	38 Å²	38	24 Å²	24	27%	0.266	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.6	-177.7	-64.9	0	0	0	0	110.9	R104 I105 G106 L130	R104-S108 CarbonylContact C-O 3.54Å; R104-S108 WeakPolarHBondContact CA-O 3.1Å; I105-S108 PolarHBondContact N-O 2.94Å; I105-S108 WeakPolarHBondContact O-CB 3.37Å; I105-S108 PolarHBondContact O-N 2.89Å; G106-S108 VanDerWaalsContact C-N 3.26Å; S108-L130 VanDerWaalsContact CA-O 3.3Å; S108-L130 WeakPolarHBondContact CA-O 3.11Å
109	I	97.4	Very high	94.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.8	161.1	-66.4	-178.2	0	0	0	107.3	V49 I56 V58 M102 I129 L130 L132 W137	V49-I109 HydrophobicContact CG2-CD1 3.79Å; V49-I109 HydrophobicContact CG2-CG1 4Å; I56-I109 HydrophobicContact CB-CD1 4.02Å; I56-I109 HydrophobicContact CD1-CD1 3.99Å; I56-I109 HydrophobicContact CG2-CD1 3.58Å; V58-I109 HydrophobicContact CG2-CD1 4.22Å; M102-I109 HydrophobicContact CG-CG2 3.49Å; M102-I109 VanDerWaalsContact CG-CG2 3.49Å; M102-I109 HydrophobicContact SD-CG2 3.49Å; M102-I109 WeakPolarHBondContact SD-CG2 3.29Å; I109-I129 CarbonylContact O-C 3.53Å; I109-I129 WeakPolarHBondContact O-CA 3.44Å; I109-L130 HydrophobicContact CB-CB 4.21Å; I109-L130 HydrophobicContact CD1-CD2 4.47Å; I109-L130 PolarHBondContact N-O 2.89Å; I109-L130 PolarHBondContact O-N 2.86Å; I109-L132 HydrophobicContact CD1-CD2 3.8Å; I109-L132 HydrophobicContact CG1-CD1 4.23Å; I109-L132 HydrophobicContact CG1-CD2 3.94Å; I109-L132 HydrophobicContact CG1-CG 4.21Å; I109-W137 HydrophobicContact CG2-CH2 4.45Å
110	V	97	Very high	93.8	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.03	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.8	176.8	-173.6	0	0	0	0	107.9	M102 V103 I105 L127 Y128 I129 L162 F182	M102-V110 VanDerWaalsContact CA-O 3.31Å; M102-V110 WeakPolarHBondContact CA-O 3.47Å; V103-V110 HydrophobicContact CG2-CB 4.02Å; V103-V110 PolarHBondContact N-O 2.69Å; V103-V110 PolarHBondContact O-N 2.61Å; I105-V110 HydrophobicContact CB-CG2 4.47Å; I105-V110 HydrophobicContact CD1-CG2 4.1Å; I105-V110 HydrophobicContact CG1-CG2 4.27Å; V110-L127 HydrophobicContact CG1-CD1 3.4Å; V110-L127 VanDerWaalsContact CG1-CD1 3.4Å; V110-L127 HydrophobicContact CG1-CG 4.17Å; V110-Y128 WeakPolarHBondContact CA-O 3.33Å; V110-I129 HydrophobicContact CG2-CG1 4.44Å; V110-L162 HydrophobicContact CG1-CD2 3.83Å; V110-F182 HydrophobicContact CG1-CZ 4.31Å
111	L	97.1	Very high	93.3	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.5	-178.1	-177.2	150.6	0	0	0	109.1	V58 P94 L97 H100 A101 Y128 W137	V58-L111 HydrophobicContact CG1-CD1 4.03Å; P94-L111 HydrophobicContact CB-CD2 4.26Å; P94-L111 HydrophobicContact CG-CD1 4.5Å; P94-L111 HydrophobicContact CG-CD2 4.31Å; L97-L111 HydrophobicContact CD2-CD1 3.4Å; L97-L111 HydrophobicContact CD2-CD2 4.38Å; H100-L111 HydrophobicContact CB-CD1 4.44Å; H100-L111 HydrophobicContact CB-CD2 4.19Å; H100-L111 HydrophobicContact CB-CG 4.21Å; H100-L111 WeakPolarHBondContact CD2-CD1 3.35Å; A101-L111 WeakPolarHBondContact O-CA 3.27Å; L111-Y128 HydrophobicContact CD2-CD2 4.21Å; L111-Y128 PolarHBondContact N-O 2.94Å; L111-Y128 PolarHBondContact O-N 3.02Å; L111-W137 HydrophobicContact CB-CH2 4.37Å; L111-W137 HydrophobicContact CB-CZ3 4.18Å; L111-W137 HydrophobicContact CD1-CH2 4.26Å
112	F	95.8	Very high	93.1	Very high	2 Å²	2	38 Å²	38	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.6	179.9	-173.4	-96.4	0	0	0	111.4	A101 D125 L127 P147 V164 W189	A101-F112 PolarHBondContact N-O 3.08Å; A101-F112 PolarHBondContact O-N 2.81Å; F112-D125 WeakPolarHBondContact CE2-O 3.22Å; F112-D125 HydrophobicContact CZ-CB 4.49Å; F112-L127 HydrophobicContact CB-CD1 4.24Å; F112-L127 HydrophobicContact CD2-CB 4.3Å; F112-L127 HydrophobicContact CD2-CD1 3.99Å; F112-P147 HydrophobicContact CE1-CB 3.78Å; F112-P147 HydrophobicContact CE1-CG 3.76Å; F112-P147 HydrophobicContact CE2-CG 4.26Å; F112-P147 HydrophobicContact CZ-CB 3.65Å; F112-P147 HydrophobicContact CZ-CG 3.43Å; F112-P147 VanDerWaalsContact CZ-CG 3.43Å; F112-V164 HydrophobicContact CD1-CG1 3.83Å; F112-V164 HydrophobicContact CD1-CG2 3.97Å; F112-V164 HydrophobicContact CE1-CG1 3.91Å; F112-V164 HydrophobicContact CE1-CG2 4.4Å; F112-V164 HydrophobicContact CG-CG2 4.21Å; F112-W189 HydrophobicContact CD2-CH2 4.16Å; F112-W189 AromaticContact CD2-CZ2 3.68Å; F112-W189 HydrophobicContact CD2-CZ2 3.68Å; F112-W189 HydrophobicContact CE2-CH2 4.21Å; F112-W189 AromaticContact CE2-CZ2 3.55Å; F112-W189 HydrophobicContact CE2-CZ2 3.55Å; F112-W189 HydrophobicContact CZ-CZ2 4.36Å
113	G	93.7	Very high	92.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.01	21%	0.207	C	C	.	.			trans	55.5	-145.6	175.4	0	0	0	0	0	115.1	H100 S124	H100-G113 WeakPolarHBondContact CB-O 3.31Å; G113-S124 WeakPolarHBondContact CA-O 3.19Å
114	G	94.6	Very high	92.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	20%	0.204	C	C	.	.			trans	103.3	-170.6	-173.3	0	0	0	0	0	112.6	N96 A98 S124 L150	N96-G114 CarbonylContact O-C 3.46Å; N96-G114 WeakPolarHBondContact O-CA 3.39Å; A98-G114 CarbonylContact O-C 3.54Å; A98-G114 WeakPolarHBondContact O-CA 3.46Å; G114-S124 PolarHBondContact O-N 2.85Å; G114-L150 PolarHBondContact N-O 3.47Å
115	S	93.9	Very high	92.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-137.5	147.5	-175	-167.7	0	0	0	0	112	N96 A98 G120 H122	N96-S115 CarbonylContact C-O 3.46Å; N96-S115 VanDerWaalsContact C-O 3.28Å; N96-S115 PolarHBondContact O-N 3.44Å; A98-S115 WeakPolarHBondContact CB-O 3.31Å; A98-S115 PolarHBondContact N-O 3.35Å; A98-S115 PolarHBondContact O-N 2.88Å; S115-G120 PolarHBondContact OG-N 3.29Å; S115-H122 CarbonylContact C-O 3.58Å; S115-H122 WeakPolarHBondContact CA-O 3.25Å; S115-H122 PolarHBondContact OG-O 3.15Å
116	G	92.7	Very high	92	Very high	7 Å²	7	37.4 Å²	37.4	7%	0.072	20%	0.204	C	C	.	.			trans	-81.6	-164.4	162.9	0	0	0	0	0	111.2	N96 P118 F119 H122	N96-G116 PolarHBondContact ND2-N 2.89Å; G116-P118 CarbonylContact O-C 3.58Å; G116-F119 VanDerWaalsContact O-CD1 3.31Å; G116-F119 WeakPolarHBondContact O-CD1 3.39Å; G116-H122 PolarHBondContact N-O 3.11Å
117	Y	89.2	Confident	92.1	Very high	96 Å²	96	35.9 Å²	35.9	38%	0.376	19%	0.189	S	C	.	.	S	Bend	trans	-117.5	137.2	170.7	-177	-86.5	0	0	0	109.8	Y61 N68 F119	Y61-Y117 HydrophobicContact CD2-CD2 4.39Å; Y61-Y117 AromaticContact CE2-CD2 3.54Å; Y61-Y117 HydrophobicContact CE2-CD2 3.54Å; Y61-Y117 HydrophobicContact CE2-CE2 4.06Å; Y61-Y117 HydrophobicContact CE2-CG 4.11Å; N68-Y117 HydrophobicContact CB-CD1 3.88Å; N68-Y117 HydrophobicContact CB-CG 4.29Å; N68-Y117 WeakPolarHBondContact O-CB 3.31Å; N68-Y117 VanDerWaalsContact O-CG 3.3Å; Y117-F119 HydrophobicContact CD2-CD2 4.47Å; Y117-F119 HydrophobicContact CD2-CE1 4.23Å; Y117-F119 HydrophobicContact CD2-CE2 4.17Å; Y117-F119 HydrophobicContact CD2-CZ 4.04Å; Y117-F119 HydrophobicContact CE2-CE2 4.42Å
118	P	89.7	Confident	92.3	Very high	66 Å²	66	32.4 Å²	32.4	43%	0.429	18%	0.175	S	C	.	.	S	Bend	cis	-60.8	148.6	-3.1	-23.2	35.1	0	0	0	113.9	G116 T121	G116-P118 CarbonylContact O-C 3.58Å; P118-T121 HydrophobicContact CB-CG2 4.16Å; P118-T121 PolarHBondContact O-N 2.87Å; P118-T121 PolarHBondContact O-OG1 3.28Å
119	F	87.5	Confident	92.4	Very high	91 Å²	91	32.4 Å²	32.4	40%	0.399	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	138.5	-176.7	-56	-53.5	0	0	0	111.3	Y61 A98 G116 Y117 T121	Y61-F119 AromaticContact CD1-CZ 3.78Å; Y61-F119 HydrophobicContact CD1-CZ 3.78Å; Y61-F119 AromaticContact CD2-CE1 3.93Å; Y61-F119 HydrophobicContact CD2-CE1 3.93Å; Y61-F119 AromaticContact CD2-CZ 3.6Å; Y61-F119 HydrophobicContact CD2-CZ 3.6Å; Y61-F119 HydrophobicContact CE1-CE2 4.48Å; Y61-F119 HydrophobicContact CE1-CZ 4.01Å; Y61-F119 HydrophobicContact CE2-CE1 4.39Å; Y61-F119 AromaticContact CE2-CZ 3.82Å; Y61-F119 HydrophobicContact CE2-CZ 3.82Å; Y61-F119 HydrophobicContact CG-CE1 4.1Å; Y61-F119 AromaticContact CG-CZ 3.57Å; Y61-F119 HydrophobicContact CG-CZ 3.57Å; A98-F119 HydrophobicContact CB-CD1 4.16Å; A98-F119 HydrophobicContact CB-CE1 3.66Å; G116-F119 VanDerWaalsContact O-CD1 3.31Å; G116-F119 WeakPolarHBondContact O-CD1 3.39Å; Y117-F119 HydrophobicContact CD2-CD2 4.47Å; Y117-F119 HydrophobicContact CD2-CE1 4.23Å; Y117-F119 HydrophobicContact CD2-CE2 4.17Å; Y117-F119 HydrophobicContact CD2-CZ 4.04Å; Y117-F119 HydrophobicContact CE2-CE2 4.42Å; F119-T121 VanDerWaalsContact C-N 3.3Å
120	G	84.1	Confident	92.4	Very high	21 Å²	21	32.4 Å²	32.4	22%	0.216	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-14.3	-179	0	0	0	0	0	114.6	S115	S115-G120 PolarHBondContact OG-N 3.29Å
121	T	86.6	Confident	92.3	Very high	89 Å²	89	33.7 Å²	33.7	55%	0.546	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-35.5	-177.8	65.9	0	0	0	0	113.2	P118 F119	P118-T121 HydrophobicContact CB-CG2 4.16Å; P118-T121 PolarHBondContact O-N 2.87Å; P118-T121 PolarHBondContact O-OG1 3.28Å; F119-T121 VanDerWaalsContact C-N 3.3Å
122	H	89.6	Confident	92.1	Very high	110 Å²	110	33.8 Å²	33.8	51%	0.509	18%	0.182	S	C	.	.	S	Bend	trans	-114.5	99.4	175.6	-59.6	-69.9	0	0	0	108.3	N96 S115 G116	N96-H122 VanDerWaalsContact ND2-C 3.29Å; N96-H122 PolarHBondContact ND2-O 2.87Å; S115-H122 CarbonylContact C-O 3.58Å; S115-H122 WeakPolarHBondContact CA-O 3.25Å; S115-H122 PolarHBondContact OG-O 3.15Å; G116-H122 PolarHBondContact N-O 3.11Å
123	L	91.5	Very high	91.8	Very high	41 Å²	41	39.5 Å²	39.5	22%	0.215	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-110.3	152.7	179.9	-57.6	-179.7	0	0	0	109.8	P149 Y151 D169	L123-P149 HydrophobicContact CB-CB 3.91Å; L123-P149 WeakPolarHBondContact CB-O 3.33Å; L123-P149 VanDerWaalsContact CD1-O 3.24Å; L123-P149 WeakPolarHBondContact CD1-O 3.32Å; L123-Y151 HydrophobicContact CD2-CD1 3.41Å; L123-Y151 VanDerWaalsContact CD2-CD1 3.41Å; L123-Y151 HydrophobicContact CD2-CE1 3.97Å; L123-Y151 HydrophobicContact CD2-CG 4.35Å; L123-D169 VanDerWaalsContact CD1-CA 3.48Å; L123-D169 HydrophobicContact CD1-CB 3.51Å
124	S	89.3	Confident	91.7	Very high	5 Å²	5	43.9 Å²	43.9	4%	0.035	23%	0.229	C	C	.	.			trans	-125.9	143.2	179.5	-177.6	0	0	0	0	110.3	G113 G114 D126 P149	G113-S124 WeakPolarHBondContact CA-O 3.19Å; G114-S124 PolarHBondContact O-N 2.85Å; S124-D126 WeakPolarHBondContact OG-CB 3.37Å; S124-D126 PolarHBondContact OG-N 2.85Å; S124-P149 WeakPolarHBondContact O-CA 3.31Å
125	D	91	Very high	91.7	Very high	60 Å²	60	44 Å²	44	32%	0.321	23%	0.231	S	C	.	.			trans	-114	11.3	164.8	60.2	-16.8	0	0	0	111	F112 S142 P149	F112-D125 WeakPolarHBondContact CE2-O 3.22Å; F112-D125 HydrophobicContact CZ-CB 4.49Å; D125-S142 WeakPolarHBondContact O-CB 3.34Å; D125-S142 PolarHBondContact O-OG 3.43Å; D125-P149 HydrophobicContact CB-CB 3.94Å
126	D	90.9	Very high	91.9	Very high	31 Å²	31	46 Å²	46	17%	0.166	24%	0.243	C	C	.	.			trans	-76.6	142.3	179.8	-80.9	-37.7	0	0	0	110.6	S124 Y128 R139	S124-D126 WeakPolarHBondContact OG-CB 3.37Å; S124-D126 PolarHBondContact OG-N 2.85Å; D126-Y128 HydrophobicContact CB-CD2 4.04Å; D126-Y128 HydrophobicContact CB-CE2 3.41Å; D126-Y128 VanDerWaalsContact CB-CE2 3.41Å; D126-R139 HydrophobicContact CB-CG 4.34Å; D126-R139 VanDerWaalsContact CG-CD 3.5Å; D126-R139 VanDerWaalsContact OD2-CD 3.29Å; D126-R139 WeakPolarHBondContact OD2-CD 3.31Å; D126-R139 IonicContact OD2-NH1 3.69Å; D126-R139 PolarHBondContact OD2-NH1 2.82Å
127	L	94.7	Very high	92.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.6	171.3	-175.1	73.5	0	0	0	109	V110 F112 Y140 L162 I180 F182 W189	V110-L127 HydrophobicContact CG1-CD1 3.4Å; V110-L127 VanDerWaalsContact CG1-CD1 3.4Å; V110-L127 HydrophobicContact CG1-CG 4.17Å; F112-L127 HydrophobicContact CB-CD1 4.24Å; F112-L127 HydrophobicContact CD2-CB 4.3Å; F112-L127 HydrophobicContact CD2-CD1 3.99Å; L127-Y140 HydrophobicContact CD2-CD1 4.11Å; L127-Y140 HydrophobicContact CD2-CG 4.27Å; L127-Y140 PolarHBondContact O-N 2.98Å; L127-L162 HydrophobicContact CD1-CD2 3.76Å; L127-I180 HydrophobicContact CD2-CD1 4.43Å; L127-F182 HydrophobicContact CD2-CE1 3.66Å; L127-F182 HydrophobicContact CD2-CZ 3.68Å; L127-W189 HydrophobicContact CD1-CZ2 4.2Å
128	Y	96.6	Very high	92.6	Very high	15 Å²	15	50 Å²	50	6%	0.059	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139	177	-69.3	-95.1	0	0	0	110.9	T92 P94 V110 L111 D126 R138 R139	T92-Y128 HydrophobicContact CG2-CE1 4.12Å; T92-Y128 WeakPolarHBondContact O-CD1 3.3Å; T92-Y128 WeakPolarHBondContact O-CE1 3.39Å; P94-Y128 HydrophobicContact CB-CD1 4.14Å; P94-Y128 HydrophobicContact CB-CD2 3.88Å; P94-Y128 HydrophobicContact CB-CE1 4.13Å; P94-Y128 HydrophobicContact CB-CE2 3.86Å; P94-Y128 HydrophobicContact CB-CG 4.01Å; P94-Y128 HydrophobicContact CG-CD1 3.72Å; P94-Y128 HydrophobicContact CG-CD2 3.99Å; P94-Y128 HydrophobicContact CG-CE1 4.15Å; P94-Y128 HydrophobicContact CG-CE2 4.39Å; P94-Y128 HydrophobicContact CG-CG 3.61Å; V110-Y128 WeakPolarHBondContact CA-O 3.33Å; L111-Y128 HydrophobicContact CD2-CD2 4.21Å; L111-Y128 PolarHBondContact N-O 2.94Å; L111-Y128 PolarHBondContact O-N 3.02Å; D126-Y128 HydrophobicContact CB-CD2 4.04Å; D126-Y128 HydrophobicContact CB-CE2 3.41Å; D126-Y128 VanDerWaalsContact CB-CE2 3.41Å; Y128-R138 WeakPolarHBondContact CA-O 3.18Å; Y128-R139 HydrophobicContact CD1-CB 4.07Å; Y128-R139 HydrophobicContact CD1-CG 4.4Å; Y128-R139 HydrophobicContact CE1-CB 3.86Å; Y128-R139 HydrophobicContact CE1-CG 4.05Å
129	I	96.8	Very high	92.8	Very high	37 Å²	37	53.7 Å²	53.7	19%	0.19	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.7	178.2	-56.5	179.6	0	0	0	108.8	I109 V110 W137 R138 F182	I109-I129 CarbonylContact O-C 3.53Å; I109-I129 WeakPolarHBondContact O-CA 3.44Å; V110-I129 HydrophobicContact CG2-CG1 4.44Å; I129-W137 WeakPolarHBondContact O-CA 3.48Å; I129-R138 PolarHBondContact N-O 3.07Å; I129-R138 PolarHBondContact O-N 2.85Å; I129-F182 HydrophobicContact CD1-CE1 4.49Å
130	L	97.9	Very high	93	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.3	168.6	175.1	60.9	0	0	0	109.3	V74 L87 T89 S108 I109 L132 G135 W137	V74-L130 HydrophobicContact CG1-CD2 4.27Å; V74-L130 HydrophobicContact CG2-CD2 4.23Å; L87-L130 HydrophobicContact CD2-CD2 4.14Å; T89-L130 HydrophobicContact CG2-CD1 3.9Å; T89-L130 HydrophobicContact CG2-CD2 4.12Å; S108-L130 VanDerWaalsContact CA-O 3.3Å; S108-L130 WeakPolarHBondContact CA-O 3.11Å; I109-L130 HydrophobicContact CB-CB 4.21Å; I109-L130 HydrophobicContact CD1-CD2 4.47Å; I109-L130 PolarHBondContact N-O 2.89Å; I109-L130 PolarHBondContact O-N 2.86Å; L130-L132 HydrophobicContact CD2-CD2 4.31Å; L130-L132 PolarHBondContact O-N 2.95Å; L130-G135 VanDerWaalsContact CD1-C 3.42Å; L130-G135 WeakPolarHBondContact CD1-O 3.19Å; L130-W137 HydrophobicContact CB-CD2 3.64Å; L130-W137 HydrophobicContact CB-CE3 3.55Å; L130-W137 HydrophobicContact CB-CG 4.41Å; L130-W137 HydrophobicContact CB-CH2 3.64Å; L130-W137 HydrophobicContact CB-CZ2 3.72Å; L130-W137 HydrophobicContact CB-CZ3 3.55Å; L130-W137 HydrophobicContact CD1-CD2 4.06Å; L130-W137 HydrophobicContact CD1-CG 4.05Å; L130-W137 HydrophobicContact CD2-CH2 4.23Å; L130-W137 HydrophobicContact CD2-CZ2 3.65Å; L130-W137 HydrophobicContact CG-CD2 4.3Å; L130-W137 HydrophobicContact CG-CZ2 4.18Å
131	S	95.8	Very high	92.8	Very high	32 Å²	32	55.1 Å²	55.1	22%	0.224	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	117	166	169.1	0	0	0	0	109.7	R133 T134 G135 V136	S131-R133 PolarHBondContact O-N 3.4Å; S131-R133 PolarHBondContact OG-N 3.43Å; S131-T134 WeakPolarHBondContact CB-OG1 3.39Å; S131-T134 PolarHBondContact O-N 3.01Å; S131-T134 PolarHBondContact OG-N 3.39Å; S131-T134 PolarHBondContact OG-OG1 3.22Å; S131-G135 WeakPolarHBondContact O-CA 3.5Å; S131-G135 PolarHBondContact O-N 3.13Å; S131-V136 PolarHBondContact N-O 3.05Å
132	L	92.6	Very high	92.7	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21	175.8	-68.1	-178.3	0	0	0	112.9	F51 I56 L87 Y107 I109 L130 I376	F51-L132 HydrophobicContact CB-CD1 4.12Å; F51-L132 HydrophobicContact CD2-CD1 3.5Å; F51-L132 HydrophobicContact CE2-CD1 4.24Å; F51-L132 HydrophobicContact CG-CD1 3.94Å; I56-L132 HydrophobicContact CD1-CD1 3.68Å; I56-L132 HydrophobicContact CD1-CD2 3.53Å; I56-L132 HydrophobicContact CD1-CG 4.26Å; L87-L132 HydrophobicContact CD2-CD2 4.37Å; Y107-L132 VanDerWaalsContact O-CB 3.28Å; Y107-L132 WeakPolarHBondContact O-CB 3.47Å; Y107-L132 PolarHBondContact O-N 2.91Å; I109-L132 HydrophobicContact CD1-CD2 3.8Å; I109-L132 HydrophobicContact CG1-CD1 4.23Å; I109-L132 HydrophobicContact CG1-CD2 3.94Å; I109-L132 HydrophobicContact CG1-CG 4.21Å; L130-L132 HydrophobicContact CD2-CD2 4.31Å; L130-L132 PolarHBondContact O-N 2.95Å; L132-I376 HydrophobicContact CB-CD1 4.2Å; L132-I376 HydrophobicContact CB-CG2 4.35Å
133	R	89.2	Confident	92.7	Very high	122 Å²	122	51 Å²	51	46%	0.46	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-41.3	175.3	-63.7	-173.7	179.8	-87.8	3.9	112.2	Y107 S131 E377	Y107-R133 HydrophobicContact CD1-CG 3.54Å; Y107-R133 HydrophobicContact CE1-CG 4.21Å; Y107-R133 VanDerWaalsContact CE1-CZ 3.49Å; Y107-R133 HydrophobicContact CG-CG 4.08Å; S131-R133 PolarHBondContact O-N 3.4Å; S131-R133 PolarHBondContact OG-N 3.43Å; R133-E377 WeakPolarHBondContact CD-OE1 3.48Å; R133-E377 VanDerWaalsContact CG-OE1 3.26Å; R133-E377 WeakPolarHBondContact CG-OE1 3.37Å; R133-E377 IonicContact CZ-OE1 3.85Å; R133-E377 IonicContact NE-OE1 3.42Å; R133-E377 IonicContact NH1-OE1 3.97Å; R133-E377 PolarHBondContact NH1-OE1 2.93Å
134	T	92.3	Very high	92.8	Very high	92 Å²	92	51.6 Å²	51.6	56%	0.564	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-12.9	-170	63.9	0	0	0	0	113.7	S131 V136	S131-T134 WeakPolarHBondContact CB-OG1 3.39Å; S131-T134 PolarHBondContact O-N 3.01Å; S131-T134 PolarHBondContact OG-N 3.39Å; S131-T134 PolarHBondContact OG-OG1 3.22Å; T134-V136 PolarHBondContact O-N 2.79Å; T134-V136 PolarHBondContact OG1-N 2.87Å
135	G	94.5	Very high	93.1	Very high	4 Å²	4	56.5 Å²	56.5	4%	0.041	30%	0.296	C	S	.	.			trans	69.5	10.4	-172.4	0	0	0	0	0	114	T89 T90 L130 S131	T89-G135 CarbonylContact C-O 3.6Å; T89-G135 WeakPolarHBondContact CA-O 3.44Å; T89-G135 WeakPolarHBondContact CB-O 3.28Å; T90-G135 PolarHBondContact N-O 2.94Å; L130-G135 VanDerWaalsContact CD1-C 3.42Å; L130-G135 WeakPolarHBondContact CD1-O 3.19Å; S131-G135 WeakPolarHBondContact O-CA 3.5Å; S131-G135 PolarHBondContact O-N 3.13Å
136	V	97.8	Very high	93.2	Very high	42 Å²	42	55 Å²	55	26%	0.255	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.8	-175.2	-177.9	0	0	0	0	110.6	S131 T134 R138	S131-V136 PolarHBondContact N-O 3.05Å; T134-V136 PolarHBondContact O-N 2.79Å; T134-V136 PolarHBondContact OG1-N 2.87Å; V136-R138 HydrophobicContact CG1-CG 4.46Å
137	W	98.2	Very high	93.3	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.011	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	137.3	166.6	-73	101.6	0	0	0	111.3	V58 V74 T90 T92 P94 I109 L111 I129 L130	V58-W137 HydrophobicContact CG1-CH2 4.27Å; V58-W137 HydrophobicContact CG1-CZ2 4.13Å; V74-W137 HydrophobicContact CG2-CZ2 4.02Å; T90-W137 PolarHBondContact O-N 2.83Å; T92-W137 PolarHBondContact N-O 3.42Å; T92-W137 VanDerWaalsContact N-O 3.09Å; T92-W137 VanDerWaalsContact O-CB 3.3Å; T92-W137 WeakPolarHBondContact O-CB 3.2Å; P94-W137 HydrophobicContact CG-CD2 4.35Å; P94-W137 HydrophobicContact CG-CE3 4.11Å; P94-W137 HydrophobicContact CG-CH2 4.45Å; P94-W137 HydrophobicContact CG-CZ3 4.16Å; I109-W137 HydrophobicContact CG2-CH2 4.45Å; L111-W137 HydrophobicContact CB-CH2 4.37Å; L111-W137 HydrophobicContact CB-CZ3 4.18Å; L111-W137 HydrophobicContact CD1-CH2 4.26Å; I129-W137 WeakPolarHBondContact O-CA 3.48Å; L130-W137 HydrophobicContact CB-CD2 3.64Å; L130-W137 HydrophobicContact CB-CE3 3.55Å; L130-W137 HydrophobicContact CB-CG 4.41Å; L130-W137 HydrophobicContact CB-CH2 3.64Å; L130-W137 HydrophobicContact CB-CZ2 3.72Å; L130-W137 HydrophobicContact CB-CZ3 3.55Å; L130-W137 HydrophobicContact CD1-CD2 4.06Å; L130-W137 HydrophobicContact CD1-CG 4.05Å; L130-W137 HydrophobicContact CD2-CH2 4.23Å; L130-W137 HydrophobicContact CD2-CZ2 3.65Å; L130-W137 HydrophobicContact CG-CD2 4.3Å; L130-W137 HydrophobicContact CG-CZ2 4.18Å
138	R	97.3	Very high	93.2	Very high	184 Å²	184	57.7 Å²	57.7	69%	0.694	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	134	169.4	-64	-176.6	179.1	-132.1	-0.7	109.1	Y128 I129 V136	Y128-R138 WeakPolarHBondContact CA-O 3.18Å; I129-R138 PolarHBondContact N-O 3.07Å; I129-R138 PolarHBondContact O-N 2.85Å; V136-R138 HydrophobicContact CG1-CG 4.46Å
139	R	95.6	Very high	93.1	Very high	144 Å²	144	59.5 Å²	59.5	54%	0.543	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	133	165.4	-172.6	173.7	69.2	167.5	2.9	109.1	T92 D126 Y128	T92-R139 HydrophobicContact CG2-CB 4.03Å; D126-R139 HydrophobicContact CB-CG 4.34Å; D126-R139 VanDerWaalsContact CG-CD 3.5Å; D126-R139 VanDerWaalsContact OD2-CD 3.29Å; D126-R139 WeakPolarHBondContact OD2-CD 3.31Å; D126-R139 IonicContact OD2-NH1 3.69Å; D126-R139 PolarHBondContact OD2-NH1 2.82Å; Y128-R139 HydrophobicContact CD1-CB 4.07Å; Y128-R139 HydrophobicContact CD1-CG 4.4Å; Y128-R139 HydrophobicContact CE1-CB 3.86Å; Y128-R139 HydrophobicContact CE1-CG 4.05Å
140	Y	90.4	Very high	93	Very high	79 Å²	79	57.9 Å²	57.9	31%	0.31	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.7	172.5	-161	-85.1	0	0	0	107.6	L127 S142 I180 P187	L127-Y140 HydrophobicContact CD2-CD1 4.11Å; L127-Y140 HydrophobicContact CD2-CG 4.27Å; L127-Y140 PolarHBondContact O-N 2.98Å; Y140-S142 PolarHBondContact O-N 3.2Å; Y140-I180 HydrophobicContact CE1-CD1 4.47Å; Y140-P187 HydrophobicContact CE1-CB 4.35Å; Y140-P187 VanDerWaalsContact OH-CD 3.24Å; Y140-P187 WeakPolarHBondContact OH-CD 3.18Å
141	A	80.7	Confident	92.9	Very high	62 Å²	62	59.3 Å²	59.3	51%	0.512	32%	0.316	S	S	.	.			trans	-63.5	133.8	-178.4	0	0	0	0	0	110.2	V143	A141-V143 HydrophobicContact CB-CG2 4.17Å; A141-V143 PolarHBondContact O-N 2.72Å; A141-V143 VanDerWaalsContact O-N 3.08Å
142	S	83.9	Confident	92.9	Very high	31 Å²	31	57.9 Å²	57.9	22%	0.217	31%	0.306	C	S	.	.			trans	-76.3	94.7	173.8	-79.8	0	0	0	0	109.8	D125 Y140 W189	D125-S142 WeakPolarHBondContact O-CB 3.34Å; D125-S142 PolarHBondContact O-OG 3.43Å; Y140-S142 PolarHBondContact O-N 3.2Å; S142-W189 PolarHBondContact OG-NE1 2.8Å
143	V	90	Very high	93.1	Very high	82 Å²	82	57.9 Å²	57.9	50%	0.497	31%	0.306	S	S	.	.			trans	-101.1	149.5	179.7	-170.4	0	0	0	0	110.3	A141 W189	A141-V143 HydrophobicContact CB-CG2 4.17Å; A141-V143 PolarHBondContact O-N 2.72Å; A141-V143 VanDerWaalsContact O-N 3.08Å; V143-W189 PolarHBondContact O-N 3.47Å
144	G	93.9	Very high	93.5	Very high	54 Å²	54	52 Å²	52	56%	0.557	28%	0.284	S	S	*	.	B	Isolated β-bridge	trans	88.4	-146.9	178.1	0	0	0	0	0	112.8	A146	G144-A146 PolarHBondContact O-N 2.84Å
145	N	94.6	Very high	93.8	Very high	107 Å²	107	48.3 Å²	48.3	57%	0.572	26%	0.261	S	S	*	.	S	Bend	trans	-84.1	65.1	178.1	-67	-68	0	0	0	110.3	H178 W189 K191	N145-H178 PolarHBondContact O-CE1 2.88Å; N145-H178 VanDerWaalsContact O-CE1 3.29Å; N145-H178 PolarHBondContact O-ND1 3.03Å; N145-W189 PolarHBondContact N-O 2.82Å; N145-W189 WeakPolarHBondContact O-CB 2.81Å; N145-K191 HydrophobicContact CB-CB 3.95Å
146	A	93.2	Very high	93.9	Very high	29 Å²	29	48.8 Å²	48.8	24%	0.24	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-62.9	150.5	-177.3	0	0	0	0	0	112.3	G144 H178 W189	G144-A146 PolarHBondContact O-N 2.84Å; A146-H178 PolarHBondContact O-CE1 3.31Å; A146-W189 HydrophobicContact CB-CB 4.32Å; A146-W189 HydrophobicContact CB-CG 4.09Å
147	P	94.1	Very high	93.8	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.019	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-61.1	150.6	168.8	-14.6	27	0	0	0	110.7	F112 V164 H178 W189	F112-P147 HydrophobicContact CE1-CB 3.78Å; F112-P147 HydrophobicContact CE1-CG 3.76Å; F112-P147 HydrophobicContact CE2-CG 4.26Å; F112-P147 HydrophobicContact CZ-CB 3.65Å; F112-P147 HydrophobicContact CZ-CG 3.43Å; F112-P147 VanDerWaalsContact CZ-CG 3.43Å; P147-V164 HydrophobicContact CG-CB 4.29Å; P147-V164 HydrophobicContact CG-CG1 4.31Å; P147-H178 HydrophobicContact CG-CB 3.75Å; P147-W189 HydrophobicContact CG-CD2 4.41Å; P147-W189 HydrophobicContact CG-CE3 4.24Å; P147-W189 HydrophobicContact CG-CH2 4.47Å; P147-W189 HydrophobicContact CG-CZ3 4.28Å
148	M	92.6	Very high	93.6	Very high	85 Å²	85	50.9 Å²	50.9	42%	0.419	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-60.7	156.4	170.2	-64.8	-171.1	-60.3	0	0	111.2	L150 F172	M148-L150 HydrophobicContact CB-CD1 4.25Å; M148-L150 HydrophobicContact CB-CD2 4.26Å; M148-L150 HydrophobicContact CB-CG 3.96Å; M148-L150 HydrophobicContact CE-CD1 4.33Å; M148-L150 HydrophobicContact CE-CD2 4.45Å; M148-L150 WeakPolarHBondContact O-CG 3.34Å; M148-L150 PolarHBondContact O-N 3.23Å; M148-F172 HydrophobicContact CE-CD1 3.98Å; M148-F172 HydrophobicContact CE-CE1 3.78Å
149	P	93.8	Very high	93.3	Very high	53 Å²	53	48.8 Å²	48.8	34%	0.344	27%	0.274	S	S	.	.	S	Bend	trans	-68.8	99.5	175.2	28.1	-34.9	0	0	0	109.8	L123 S124 D125	L123-P149 HydrophobicContact CB-CB 3.91Å; L123-P149 WeakPolarHBondContact CB-O 3.33Å; L123-P149 VanDerWaalsContact CD1-O 3.24Å; L123-P149 WeakPolarHBondContact CD1-O 3.32Å; S124-P149 WeakPolarHBondContact O-CA 3.31Å; D125-P149 HydrophobicContact CB-CB 3.94Å
150	L	95	Very high	93.2	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	27%	0.268	C	S	.	.			trans	-130.9	169.6	-173	-60.2	176.8	0	0	0	111.1	G114 M148 Q153 T168 D169 C174	G114-L150 PolarHBondContact N-O 3.47Å; M148-L150 HydrophobicContact CB-CD1 4.25Å; M148-L150 HydrophobicContact CB-CD2 4.26Å; M148-L150 HydrophobicContact CB-CG 3.96Å; M148-L150 HydrophobicContact CE-CD1 4.33Å; M148-L150 HydrophobicContact CE-CD2 4.45Å; M148-L150 WeakPolarHBondContact O-CG 3.34Å; M148-L150 PolarHBondContact O-N 3.23Å; L150-Q153 HydrophobicContact CB-CG 4.08Å; L150-T168 WeakPolarHBondContact CA-O 3.41Å; L150-D169 HydrophobicContact CD2-CB 3.94Å; L150-C174 VanDerWaalsContact CD1-SG 3.54Å
151	Y	95.5	Very high	93.4	Very high	30 Å²	30	46.3 Å²	46.3	12%	0.118	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-130.8	161.5	171.3	67	-81.9	0	0	0	112.6	L123 Q153 T168 G170 Y206	L123-Y151 HydrophobicContact CD2-CD1 3.41Å; L123-Y151 VanDerWaalsContact CD2-CD1 3.41Å; L123-Y151 HydrophobicContact CD2-CE1 3.97Å; L123-Y151 HydrophobicContact CD2-CG 4.35Å; Y151-Q153 VanDerWaalsContact C-N 3.26Å; Y151-Q153 PolarHBondContact O-N 2.82Å; Y151-T168 HydrophobicContact CD1-CG2 4.28Å; Y151-T168 WeakPolarHBondContact CD1-O 3.31Å; Y151-T168 HydrophobicContact CD2-CG2 4.23Å; Y151-T168 HydrophobicContact CE1-CG2 3.86Å; Y151-T168 WeakPolarHBondContact CE1-O 3.49Å; Y151-T168 HydrophobicContact CE2-CG2 3.78Å; Y151-T168 HydrophobicContact CG-CG2 4.47Å; Y151-T168 PolarHBondContact N-O 2.88Å; Y151-T168 PolarHBondContact O-N 3.38Å; Y151-G170 WeakPolarHBondContact OH-CA 3.49Å; Y151-Y206 HydrophobicContact CD2-CD2 4.39Å; Y151-Y206 HydrophobicContact CE2-CD2 4.1Å; Y151-Y206 HydrophobicContact CE2-CE2 4.18Å
152	G	96.3	Very high	94.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.01	25%	0.245	C	C	.	.	S	Bend	trans	68.6	24	-179.3	0	0	0	0	0	113.9	S99 Y206 R207	S99-G152 PolarHBondContact O-N 3.42Å; G152-Y206 CarbonylContact O-C 3.57Å; G152-Y206 WeakPolarHBondContact O-CA 3.22Å; G152-R207 PolarHBondContact O-N 2.62Å
153	Q	97.1	Very high	94.9	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.023	24%	0.238	C	C	.	.			trans	-70.3	150.1	174.2	-47.5	-174.9	-87.7	0	0	110.2	L150 Y151 V164 I165 G166	L150-Q153 HydrophobicContact CB-CG 4.08Å; Y151-Q153 VanDerWaalsContact C-N 3.26Å; Y151-Q153 PolarHBondContact O-N 2.82Å; Q153-V164 HydrophobicContact CB-CG1 4.02Å; Q153-V164 HydrophobicContact CG-CG1 4.4Å; Q153-V164 VanDerWaalsContact NE2-CG1 3.32Å; Q153-I165 WeakPolarHBondContact CA-O 3.46Å; Q153-G166 WeakPolarHBondContact CG-O 3.34Å; Q153-G166 PolarHBondContact NE2-O 2.74Å
154	A	97.6	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	146.5	165.6	0	0	0	0	0	109.8	I165 H208 A210	A154-I165 HydrophobicContact CB-CB 4.45Å; A154-I165 PolarHBondContact N-O 3.26Å; A154-I165 PolarHBondContact O-N 3.33Å; A154-H208 WeakPolarHBondContact CB-CD2 3.5Å; A154-H208 WeakPolarHBondContact CB-NE2 3.18Å; A154-A210 HydrophobicContact CB-CB 3.64Å
155	V	97	Very high	95.4	Very high	13 Å²	13	36.5 Å²	36.5	8%	0.079	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.1	173.6	-75.2	0	0	0	0	111	A101 V103 L162 Y163 V164	A101-V155 HydrophobicContact CB-CB 4.11Å; A101-V155 HydrophobicContact CB-CG1 3.33Å; A101-V155 HydrophobicContact CB-CG2 3.69Å; V103-V155 HydrophobicContact CG1-CB 3.96Å; V103-V155 HydrophobicContact CG1-CG2 3.59Å; V155-L162 HydrophobicContact CB-CD1 4.16Å; V155-L162 HydrophobicContact CG1-CD1 4.18Å; V155-Y163 VanDerWaalsContact CA-O 3.27Å; V155-Y163 WeakPolarHBondContact CA-O 3.31Å; V155-V164 HydrophobicContact CG1-CB 4.39Å; V155-V164 HydrophobicContact CG1-CG1 4.41Å; V155-V164 HydrophobicContact CG1-CG2 3.91Å
156	T	97.6	Very high	95.4	Very high	14 Å²	14	31.4 Å²	31.4	9%	0.086	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	151.6	168	-166.1	0	0	0	0	109.2	Y163 W212 L217	T156-Y163 HydrophobicContact CG2-CD2 4.27Å; T156-Y163 PolarHBondContact N-O 3.13Å; T156-Y163 VanDerWaalsContact N-O 3.12Å; T156-Y163 PolarHBondContact O-N 3.38Å; T156-W212 HydrophobicContact CG2-CB 4.13Å; T156-W212 PolarHBondContact OG1-N 2.86Å; T156-L217 HydrophobicContact CG2-CD2 3.78Å
157	A	96.1	Very high	95.6	Very high	32 Å²	32	30 Å²	30	26%	0.264	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.4	177.1	0	0	0	0	0	109.9	V103 I105 K161	V103-A157 HydrophobicContact CB-CB 4.28Å; V103-A157 HydrophobicContact CG1-CB 4.46Å; V103-A157 HydrophobicContact CG2-CB 4.06Å; I105-A157 HydrophobicContact CD1-CB 4.08Å; I105-A157 HydrophobicContact CG1-CB 4Å; A157-K161 WeakPolarHBondContact CA-O 3.37Å
158	H	93.6	Very high	95.7	Very high	57 Å²	57	29.9 Å²	29.9	26%	0.264	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	127.4	168.7	-179	52.8	0	0	0	107.4	K160 K161 W212	H158-K160 PolarHBondContact O-N 3.42Å; H158-K160 VanDerWaalsContact O-N 3.16Å; H158-K161 PolarHBondContact N-O 3.47Å; H158-K161 VanDerWaalsContact N-O 3.1Å; H158-K161 PolarHBondContact O-N 2.98Å; H158-W212 HydrophobicContact CB-CB 4.39Å; H158-W212 HydrophobicContact CB-CD2 3.8Å; H158-W212 HydrophobicContact CB-CE3 4.06Å; H158-W212 HydrophobicContact CB-CG 3.91Å; H158-W212 AromaticContact CD2-CE2 3.59Å; H158-W212 AromaticContact CD2-CZ2 3.69Å; H158-W212 AromaticContact CD2-NE1 3.85Å; H158-W212 AromaticContact CE1-CE2 3.94Å; H158-W212 AromaticContact CE1-CH2 3.16Å; H158-W212 WeakPolarHBondContact CE1-CH2 3.32Å; H158-W212 AromaticContact CE1-CZ2 3.38Å; H158-W212 WeakPolarHBondContact CE1-CZ2 3.46Å; H158-W212 AromaticContact CE1-CZ3 3.53Å; H158-W212 AromaticContact CG-CD2 3.58Å; H158-W212 AromaticContact CG-CE2 3.62Å; H158-W212 AromaticContact CG-CE3 3.75Å; H158-W212 AromaticContact CG-CZ2 3.89Å; H158-W212 AromaticContact ND1-CD2 3.76Å; H158-W212 AromaticContact ND1-CE2 3.83Å; H158-W212 AromaticContact ND1-CE3 3.44Å; H158-W212 AromaticContact ND1-CH2 3.44Å; H158-W212 WeakPolarHBondContact ND1-CH2 3.49Å; H158-W212 AromaticContact ND1-CZ2 3.7Å; H158-W212 AromaticContact ND1-CZ3 3.29Å; H158-W212 VanDerWaalsContact ND1-CZ3 3.29Å; H158-W212 WeakPolarHBondContact ND1-CZ3 3.48Å; H158-W212 AromaticContact NE2-CE2 3.78Å; H158-W212 AromaticContact NE2-CH2 3.65Å; H158-W212 AromaticContact NE2-CZ2 3.34Å; H158-W212 VanDerWaalsContact NE2-CZ2 3.34Å; H158-W212 WeakPolarHBondContact NE2-CZ2 3.39Å
159	E	90	Very high	95.8	Very high	140 Å²	140	28.6 Å²	28.6	65%	0.654	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	-117	-171.8	-56	178.2	153.1	0	0	110.9
160	K	93.4	Very high	95.7	Very high	100 Å²	100	27.8 Å²	27.8	44%	0.435	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	20.1	175.9	-55.8	-161.4	-152.4	160.1	0	113	H158 F182 D183	H158-K160 PolarHBondContact O-N 3.42Å; H158-K160 VanDerWaalsContact O-N 3.16Å; K160-F182 HydrophobicContact CB-CB 4.19Å; K160-F182 WeakPolarHBondContact O-CB 3.41Å; K160-F182 WeakPolarHBondContact O-CD2 3.15Å; K160-F182 PolarHBondContact O-N 3.29Å; K160-D183 WeakPolarHBondContact CB-OD2 3.16Å; K160-D183 VanDerWaalsContact CD-OD1 3.22Å; K160-D183 WeakPolarHBondContact CD-OD1 3.19Å; K160-D183 WeakPolarHBondContact CD-OD2 3.4Å; K160-D183 WeakPolarHBondContact CE-OD1 3.37Å; K160-D183 WeakPolarHBondContact CG-OD2 3.48Å; K160-D183 IonicContact NZ-OD1 3.42Å; K160-D183 PolarHBondContact NZ-OD1 3.23Å; K160-D183 IonicContact NZ-OD2 3.68Å
161	K	96.2	Very high	95.5	Very high	71 Å²	71	33 Å²	33	31%	0.309	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	131.6	174.1	-64.6	178.6	-179.2	170.5	0	110.4	A157 H158 Y163 V179 I180 D181	A157-K161 WeakPolarHBondContact CA-O 3.37Å; H158-K161 PolarHBondContact N-O 3.47Å; H158-K161 VanDerWaalsContact N-O 3.1Å; H158-K161 PolarHBondContact O-N 2.98Å; K161-Y163 HydrophobicContact CB-CE2 3.91Å; K161-V179 HydrophobicContact CB-CG2 4.15Å; K161-I180 VanDerWaalsContact CA-O 3.31Å; K161-I180 WeakPolarHBondContact CA-O 3.31Å; K161-D181 HydrophobicContact CD-CB 4.49Å; K161-D181 VanDerWaalsContact CE-CG 3.43Å; K161-D181 WeakPolarHBondContact CE-OD2 3.44Å; K161-D181 HydrophobicContact CG-CB 3.93Å; K161-D181 IonicContact NZ-OD2 3.86Å
162	L	97.2	Very high	95.4	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.8	171.4	168.7	68	0	0	0	108.9	V103 V110 L127 V155 V164 V179 I180 F182 W189	V103-L162 HydrophobicContact CG1-CD1 4.39Å; V103-L162 HydrophobicContact CG2-CD1 3.73Å; V110-L162 HydrophobicContact CG1-CD2 3.83Å; L127-L162 HydrophobicContact CD1-CD2 3.76Å; V155-L162 HydrophobicContact CB-CD1 4.16Å; V155-L162 HydrophobicContact CG1-CD1 4.18Å; L162-V164 HydrophobicContact CD2-CG2 4.32Å; L162-V164 HydrophobicContact CG-CG2 4.21Å; L162-V179 VanDerWaalsContact O-CA 3.27Å; L162-V179 WeakPolarHBondContact O-CA 3.25Å; L162-I180 HydrophobicContact CB-CG2 3.84Å; L162-I180 HydrophobicContact CD2-CG2 4.2Å; L162-I180 HydrophobicContact CG-CG2 4.39Å; L162-I180 PolarHBondContact N-O 2.86Å; L162-I180 PolarHBondContact O-N 2.73Å; L162-F182 HydrophobicContact CB-CE2 3.94Å; L162-F182 HydrophobicContact CB-CZ 4.43Å; L162-W189 HydrophobicContact CD2-CH2 3.77Å; L162-W189 HydrophobicContact CD2-CZ2 4.5Å; L162-W189 HydrophobicContact CG-CH2 4.29Å
163	Y	97.6	Very high	95.3	Very high	19 Å²	19	38 Å²	38	8%	0.075	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.4	172.2	-59.7	-90.7	0	0	0	109.8	V155 T156 K161 H178 V179 L192 L217 L239	V155-Y163 VanDerWaalsContact CA-O 3.27Å; V155-Y163 WeakPolarHBondContact CA-O 3.31Å; T156-Y163 HydrophobicContact CG2-CD2 4.27Å; T156-Y163 PolarHBondContact N-O 3.13Å; T156-Y163 VanDerWaalsContact N-O 3.12Å; T156-Y163 PolarHBondContact O-N 3.38Å; K161-Y163 HydrophobicContact CB-CE2 3.91Å; Y163-H178 CarbonylContact C-O 3.59Å; Y163-H178 VanDerWaalsContact CA-O 3.29Å; Y163-H178 WeakPolarHBondContact CA-O 3.48Å; Y163-V179 HydrophobicContact CD1-CB 3.76Å; Y163-V179 HydrophobicContact CD1-CG2 3.7Å; Y163-V179 HydrophobicContact CE1-CB 3.77Å; Y163-V179 HydrophobicContact CE1-CG2 3.42Å; Y163-V179 VanDerWaalsContact CE1-CG2 3.42Å; Y163-V179 HydrophobicContact CE2-CG2 4.38Å; Y163-V179 HydrophobicContact CG-CG2 4.29Å; Y163-L192 HydrophobicContact CD1-CD1 4.33Å; Y163-L192 HydrophobicContact CE1-CD1 4.11Å; Y163-L217 HydrophobicContact CD1-CD1 3.93Å; Y163-L217 HydrophobicContact CD1-CD2 4.29Å; Y163-L217 HydrophobicContact CD2-CD2 4.2Å; Y163-L217 HydrophobicContact CG-CD1 4.14Å; Y163-L217 HydrophobicContact CG-CD2 4.03Å; Y163-L239 HydrophobicContact CD1-CD2 4.09Å; Y163-L239 HydrophobicContact CE1-CD1 4.25Å; Y163-L239 HydrophobicContact CE1-CD2 3.51Å
164	V	97.2	Very high	95.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.4	176.1	-177.7	0	0	0	0	108.6	F112 P147 Q153 V155 L162 H178 W189	F112-V164 HydrophobicContact CD1-CG1 3.83Å; F112-V164 HydrophobicContact CD1-CG2 3.97Å; F112-V164 HydrophobicContact CE1-CG1 3.91Å; F112-V164 HydrophobicContact CE1-CG2 4.4Å; F112-V164 HydrophobicContact CG-CG2 4.21Å; P147-V164 HydrophobicContact CG-CB 4.29Å; P147-V164 HydrophobicContact CG-CG1 4.31Å; Q153-V164 HydrophobicContact CB-CG1 4.02Å; Q153-V164 HydrophobicContact CG-CG1 4.4Å; Q153-V164 VanDerWaalsContact NE2-CG1 3.32Å; V155-V164 HydrophobicContact CG1-CB 4.39Å; V155-V164 HydrophobicContact CG1-CG1 4.41Å; V155-V164 HydrophobicContact CG1-CG2 3.91Å; L162-V164 HydrophobicContact CD2-CG2 4.32Å; L162-V164 HydrophobicContact CG-CG2 4.21Å; V164-H178 PolarHBondContact N-O 3.43Å; V164-H178 PolarHBondContact O-N 3.2Å; V164-W189 HydrophobicContact CB-CZ3 4.4Å; V164-W189 HydrophobicContact CG2-CH2 3.47Å; V164-W189 VanDerWaalsContact CG2-CH2 3.47Å; V164-W189 HydrophobicContact CG2-CZ3 3.71Å
165	I	97.1	Very high	95.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.7	-172.6	-51.3	91.2	0	0	0	111.4	Q153 A154 M175 D176 V177 H208 A210 L217 I219 W244	Q153-I165 WeakPolarHBondContact CA-O 3.46Å; A154-I165 HydrophobicContact CB-CB 4.45Å; A154-I165 PolarHBondContact N-O 3.26Å; A154-I165 PolarHBondContact O-N 3.33Å; I165-M175 HydrophobicContact CG2-CE 3.47Å; I165-M175 VanDerWaalsContact CG2-CE 3.47Å; I165-M175 HydrophobicContact CG2-SD 4.11Å; I165-D176 WeakPolarHBondContact CA-O 3.41Å; I165-V177 HydrophobicContact CG1-CG1 4.35Å; I165-V177 HydrophobicContact CG1-CG2 4.34Å; I165-V177 HydrophobicContact CG2-CG2 4.26Å; I165-H208 PolarHBondContact O-CE1 2.76Å; I165-H208 VanDerWaalsContact O-CE1 3.32Å; I165-H208 PolarHBondContact O-NE2 3.02Å; I165-H208 VanDerWaalsContact O-NE2 3.15Å; I165-A210 HydrophobicContact CD1-CB 3.99Å; I165-L217 HydrophobicContact CD1-CD1 4.24Å; I165-L217 HydrophobicContact CG1-CD1 4.22Å; I165-I219 HydrophobicContact CB-CD1 4.49Å; I165-I219 HydrophobicContact CG1-CD1 4.43Å; I165-I219 HydrophobicContact CG2-CD1 4.05Å; I165-W244 HydrophobicContact CG2-CH2 4.27Å
166	G	96.2	Very high	94.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.5	-149.6	170.6	0	0	0	0	0	114.1	Q153 C174 D176	Q153-G166 WeakPolarHBondContact CG-O 3.34Å; Q153-G166 PolarHBondContact NE2-O 2.74Å; G166-C174 WeakPolarHBondContact CA-O 3.42Å; G166-D176 PolarHBondContact N-O 2.85Å
167	G	96.2	Very high	94.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	123.8	-170.6	-177.6	0	0	0	0	0	113.5	Y173 C174 R205	G167-Y173 WeakPolarHBondContact O-CA 3.36Å; G167-C174 PolarHBondContact O-N 2.84Å; G167-C174 VanDerWaalsContact O-N 3.15Å; G167-R205 PolarHBondContact N-O 3.06Å; G167-R205 VanDerWaalsContact N-O 3.12Å
168	T	96	Very high	94.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	155.4	175	-175	0	0	0	0	111.4	L150 Y151 G170 F172 Y173 Y206	L150-T168 WeakPolarHBondContact CA-O 3.41Å; Y151-T168 HydrophobicContact CD1-CG2 4.28Å; Y151-T168 WeakPolarHBondContact CD1-O 3.31Å; Y151-T168 HydrophobicContact CD2-CG2 4.23Å; Y151-T168 HydrophobicContact CE1-CG2 3.86Å; Y151-T168 WeakPolarHBondContact CE1-O 3.49Å; Y151-T168 HydrophobicContact CE2-CG2 3.78Å; Y151-T168 HydrophobicContact CG-CG2 4.47Å; Y151-T168 PolarHBondContact N-O 2.88Å; Y151-T168 PolarHBondContact O-N 3.38Å; T168-G170 PolarHBondContact OG1-N 3.48Å; T168-F172 WeakPolarHBondContact CA-O 3.28Å; T168-F172 VanDerWaalsContact CB-O 3.24Å; T168-F172 WeakPolarHBondContact CB-O 3.47Å; T168-F172 PolarHBondContact OG1-O 3.43Å; T168-Y173 HydrophobicContact CG2-CD1 4.28Å; T168-Y173 HydrophobicContact CG2-CE1 4.04Å; T168-Y206 HydrophobicContact CG2-CD2 3.59Å; T168-Y206 HydrophobicContact CG2-CE2 4.43Å; T168-Y206 HydrophobicContact CG2-CG 3.74Å
169	D	94.2	Very high	95.1	Very high	58 Å²	58	34.2 Å²	34.2	31%	0.31	18%	0.18	S	C	.	.	S	Bend	trans	-100.1	4.2	166.2	65	7.7	0	0	0	112.4	L123 L150 S171 F172	L123-D169 VanDerWaalsContact CD1-CA 3.48Å; L123-D169 HydrophobicContact CD1-CB 3.51Å; L150-D169 HydrophobicContact CD2-CB 3.94Å; D169-S171 WeakPolarHBondContact OD1-CA 3.49Å; D169-S171 PolarHBondContact OD1-N 3.24Å; D169-F172 PolarHBondContact N-O 2.9Å; D169-F172 PolarHBondContact OD1-N 2.85Å
170	G	91.6	Very high	95.4	Very high	35 Å²	35	27.6 Å²	27.6	36%	0.361	15%	0.149	S	C	.	.	S	Bend	trans	102	-25.6	-174.4	0	0	0	0	0	113.7	Y151 T168	Y151-G170 WeakPolarHBondContact OH-CA 3.49Å; T168-G170 PolarHBondContact OG1-N 3.48Å
171	S	91.3	Very high	95.5	Very high	113 Å²	113	24.2 Å²	24.2	79%	0.79	14%	0.135	S	C	*	.	S	Bend	trans	-113.5	-46.2	-179.8	-57.7	0	0	0	0	111.8	D169	D169-S171 WeakPolarHBondContact OD1-CA 3.49Å; D169-S171 PolarHBondContact OD1-N 3.24Å
172	F	93.3	Very high	95.4	Very high	89 Å²	89	22.9 Å²	22.9	39%	0.39	13%	0.13	S	C	.	.			trans	-101.8	144.7	177.3	-178.9	-108.7	0	0	0	110.6	M148 T168 D169 C174	M148-F172 HydrophobicContact CE-CD1 3.98Å; M148-F172 HydrophobicContact CE-CE1 3.78Å; T168-F172 WeakPolarHBondContact CA-O 3.28Å; T168-F172 VanDerWaalsContact CB-O 3.24Å; T168-F172 WeakPolarHBondContact CB-O 3.47Å; T168-F172 PolarHBondContact OG1-O 3.43Å; D169-F172 PolarHBondContact N-O 2.9Å; D169-F172 PolarHBondContact OD1-N 2.85Å; F172-C174 HydrophobicContact CD1-CB 4.43Å; F172-C174 HydrophobicContact CE1-CB 3.61Å; F172-C174 HydrophobicContact CZ-CB 4.12Å
173	Y	95.2	Very high	95.2	Very high	46 Å²	46	26.9 Å²	26.9	18%	0.18	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.3	173.3	-61.3	-101.4	0	0	0	106.7	G167 T168 P204 Y206 T224 G225	G167-Y173 WeakPolarHBondContact O-CA 3.36Å; T168-Y173 HydrophobicContact CG2-CD1 4.28Å; T168-Y173 HydrophobicContact CG2-CE1 4.04Å; Y173-P204 WeakPolarHBondContact O-CB 3.35Å; Y173-Y206 HydrophobicContact CD1-CD1 4.3Å; Y173-Y206 AromaticContact CE1-CD1 3.78Å; Y173-Y206 HydrophobicContact CE1-CD1 3.78Å; Y173-Y206 HydrophobicContact CE1-CE1 4.26Å; Y173-Y206 HydrophobicContact CE1-CG 4.19Å; Y173-T224 HydrophobicContact CD1-CG2 4.38Å; Y173-T224 HydrophobicContact CD2-CG2 4.47Å; Y173-T224 HydrophobicContact CE1-CG2 4.34Å; Y173-T224 HydrophobicContact CE2-CG2 4.45Å; Y173-T224 HydrophobicContact CG-CG2 4.46Å; Y173-G225 PolarHBondContact OH-N 3.04Å
174	C	93.7	Very high	94.9	Very high	3 Å²	3	31 Å²	31	2%	0.02	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	174.7	174.5	73.7	0	0	0	0	112.5	L150 G166 G167 F172 R205	L150-C174 VanDerWaalsContact CD1-SG 3.54Å; G166-C174 WeakPolarHBondContact CA-O 3.42Å; G167-C174 PolarHBondContact O-N 2.84Å; G167-C174 VanDerWaalsContact O-N 3.15Å; F172-C174 HydrophobicContact CD1-CB 4.43Å; F172-C174 HydrophobicContact CE1-CB 3.61Å; F172-C174 HydrophobicContact CZ-CB 4.12Å; C174-R205 PolarHBondContact O-N 3.06Å
175	M	95.2	Very high	94.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	28.6	168.9	-86.1	-61.9	-60.6	0	0	111.6	I165 P202 R205 I219 W244	I165-M175 HydrophobicContact CG2-CE 3.47Å; I165-M175 VanDerWaalsContact CG2-CE 3.47Å; I165-M175 HydrophobicContact CG2-SD 4.11Å; M175-P202 HydrophobicContact CB-CG 4.25Å; M175-P202 HydrophobicContact CE-CG 3.73Å; M175-P202 HydrophobicContact CG-CG 4.06Å; M175-R205 HydrophobicContact CG-CG 4.02Å; M175-R205 HydrophobicContact SD-CG 3.36Å; M175-R205 WeakPolarHBondContact SD-CG 3.46Å; M175-I219 HydrophobicContact CE-CG1 4.08Å; M175-I219 HydrophobicContact CE-CG2 4.2Å; M175-W244 HydrophobicContact CE-CH2 3.36Å; M175-W244 HydrophobicContact CE-CZ2 3.8Å; M175-W244 HydrophobicContact CE-CZ3 4.11Å; M175-W244 WeakPolarHBondContact O-CZ2 3.41Å
176	D	94.7	Very high	94.5	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.064	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	145	174.2	-74.8	-24.5	0	0	0	110.8	I165 G166 K191 S194	I165-D176 WeakPolarHBondContact CA-O 3.41Å; G166-D176 PolarHBondContact N-O 2.85Å; D176-K191 WeakPolarHBondContact OD1-CE 3.49Å; D176-K191 IonicContact OD1-NZ 3.84Å; D176-K191 PolarHBondContact OD1-NZ 2.85Å; D176-K191 WeakPolarHBondContact OD2-CE 3.38Å; D176-K191 IonicContact OD2-NZ 3.23Å; D176-K191 PolarHBondContact OD2-NZ 2.83Å; D176-S194 WeakPolarHBondContact OD1-CA 3.31Å
177	V	96.2	Very high	94.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.7	177.3	-176.8	0	0	0	0	108.1	I165 L192 S193 L217 F237 W244	I165-V177 HydrophobicContact CG1-CG1 4.35Å; I165-V177 HydrophobicContact CG1-CG2 4.34Å; I165-V177 HydrophobicContact CG2-CG2 4.26Å; V177-L192 HydrophobicContact CB-CB 4.28Å; V177-L192 HydrophobicContact CG1-CB 4.21Å; V177-L192 HydrophobicContact CG1-CD1 4.12Å; V177-L192 PolarHBondContact O-N 2.94Å; V177-S193 PolarHBondContact O-N 3.12Å; V177-L217 HydrophobicContact CG1-CD1 3.72Å; V177-F237 HydrophobicContact CB-CD1 4.44Å; V177-F237 HydrophobicContact CB-CE1 4.27Å; V177-F237 HydrophobicContact CB-CZ 4.48Å; V177-F237 HydrophobicContact CG1-CD1 4.08Å; V177-F237 HydrophobicContact CG1-CE1 4.05Å; V177-F237 HydrophobicContact CG2-CD1 4.17Å; V177-F237 HydrophobicContact CG2-CD2 4.23Å; V177-F237 HydrophobicContact CG2-CE1 4.39Å; V177-F237 HydrophobicContact CG2-CE2 4.45Å; V177-F237 HydrophobicContact CG2-CG 4.08Å; V177-W244 HydrophobicContact CG2-CH2 4.08Å; V177-W244 HydrophobicContact CG2-CZ2 3.49Å; V177-W244 VanDerWaalsContact CG2-CZ2 3.49Å
178	H	96.7	Very high	94.3	Very high	11 Å²	11	47.2 Å²	47.2	5%	0.051	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.7	174.9	-65.8	-106.7	0	0	0	110.1	N145 A146 P147 Y163 V164 W189 V190	N145-H178 PolarHBondContact O-CE1 2.88Å; N145-H178 VanDerWaalsContact O-CE1 3.29Å; N145-H178 PolarHBondContact O-ND1 3.03Å; A146-H178 PolarHBondContact O-CE1 3.31Å; P147-H178 HydrophobicContact CG-CB 3.75Å; Y163-H178 CarbonylContact C-O 3.59Å; Y163-H178 VanDerWaalsContact CA-O 3.29Å; Y163-H178 WeakPolarHBondContact CA-O 3.48Å; V164-H178 PolarHBondContact N-O 3.43Å; V164-H178 PolarHBondContact O-N 3.2Å; H178-W189 HydrophobicContact CB-CE3 3.93Å; H178-W189 HydrophobicContact CB-CZ3 4.21Å; H178-V190 CarbonylContact C-O 3.58Å; H178-V190 WeakPolarHBondContact CA-O 3.26Å
179	V	97.2	Very high	94.4	Very high	17 Å²	17	47.3 Å²	47.3	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.8	173.5	66.1	0	0	0	0	110.4	K161 L162 Y163 W189 V190 L192	K161-V179 HydrophobicContact CB-CG2 4.15Å; L162-V179 VanDerWaalsContact O-CA 3.27Å; L162-V179 WeakPolarHBondContact O-CA 3.25Å; Y163-V179 HydrophobicContact CD1-CB 3.76Å; Y163-V179 HydrophobicContact CD1-CG2 3.7Å; Y163-V179 HydrophobicContact CE1-CB 3.77Å; Y163-V179 HydrophobicContact CE1-CG2 3.42Å; Y163-V179 VanDerWaalsContact CE1-CG2 3.42Å; Y163-V179 HydrophobicContact CE2-CG2 4.38Å; Y163-V179 HydrophobicContact CG-CG2 4.29Å; V179-W189 WeakPolarHBondContact O-CA 3.1Å; V179-V190 HydrophobicContact CG1-CB 3.98Å; V179-V190 PolarHBondContact N-O 2.89Å; V179-V190 PolarHBondContact O-N 2.92Å; V179-L192 HydrophobicContact CB-CD1 4.06Å; V179-L192 HydrophobicContact CB-CG 4.45Å; V179-L192 HydrophobicContact CG1-CD1 3.8Å; V179-L192 HydrophobicContact CG1-CD2 3.87Å; V179-L192 HydrophobicContact CG1-CG 3.83Å
180	I	96.6	Very high	94.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.5	163.5	-173	165.8	0	0	0	108.5	L127 Y140 K161 L162 F182 P187 W189	L127-I180 HydrophobicContact CD2-CD1 4.43Å; Y140-I180 HydrophobicContact CE1-CD1 4.47Å; K161-I180 VanDerWaalsContact CA-O 3.31Å; K161-I180 WeakPolarHBondContact CA-O 3.31Å; L162-I180 HydrophobicContact CB-CG2 3.84Å; L162-I180 HydrophobicContact CD2-CG2 4.2Å; L162-I180 HydrophobicContact CG-CG2 4.39Å; L162-I180 PolarHBondContact N-O 2.86Å; L162-I180 PolarHBondContact O-N 2.73Å; I180-F182 HydrophobicContact CD1-CE1 4.12Å; I180-F182 HydrophobicContact CG1-CE1 4.29Å; I180-F182 HydrophobicContact CG2-CE1 4.13Å; I180-F182 HydrophobicContact CG2-CE2 4.18Å; I180-F182 HydrophobicContact CG2-CZ 3.71Å; I180-P187 HydrophobicContact CD1-CB 3.97Å; I180-P187 HydrophobicContact CG1-CB 3.95Å; I180-W189 HydrophobicContact CB-CD2 3.89Å; I180-W189 HydrophobicContact CB-CE3 3.72Å; I180-W189 HydrophobicContact CB-CG 4.49Å; I180-W189 HydrophobicContact CB-CH2 4.32Å; I180-W189 HydrophobicContact CB-CZ2 4.48Å; I180-W189 HydrophobicContact CB-CZ3 3.95Å; I180-W189 HydrophobicContact CD1-CD2 4.41Å; I180-W189 HydrophobicContact CG2-CD2 4.27Å; I180-W189 HydrophobicContact CG2-CE3 3.96Å; I180-W189 HydrophobicContact CG2-CH2 3.65Å; I180-W189 HydrophobicContact CG2-CZ2 3.98Å; I180-W189 HydrophobicContact CG2-CZ3 3.65Å
181	D	95.2	Very high	94.6	Very high	28 Å²	28	49.6 Å²	49.6	15%	0.15	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110	-178.8	-177.2	-1	0	0	0	109.7	K161 D183 Q184 P187	K161-D181 HydrophobicContact CD-CB 4.49Å; K161-D181 VanDerWaalsContact CE-CG 3.43Å; K161-D181 WeakPolarHBondContact CE-OD2 3.44Å; K161-D181 HydrophobicContact CG-CB 3.93Å; K161-D181 IonicContact NZ-OD2 3.86Å; D181-D183 VanDerWaalsContact C-N 3.25Å; D181-D183 PolarHBondContact O-N 3.11Å; D181-D183 PolarHBondContact OD1-N 2.73Å; D181-Q184 HydrophobicContact CB-CG 3.84Å; D181-Q184 WeakPolarHBondContact O-CB 3.39Å; D181-Q184 PolarHBondContact O-N 2.98Å; D181-Q184 PolarHBondContact OD2-NE2 2.81Å; D181-Q184 VanDerWaalsContact OD2-NE2 3.15Å; D181-P187 WeakPolarHBondContact O-CB 3.41Å
182	F	93.8	Very high	94.8	Very high	43 Å²	43	45.4 Å²	45.4	19%	0.189	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-2.9	-177.9	-57.4	-66.5	0	0	0	113.7	I105 V110 L127 I129 K160 L162 I180 Q184 P187	I105-F182 HydrophobicContact CD1-CD2 3.91Å; I105-F182 HydrophobicContact CD1-CE2 3.76Å; V110-F182 HydrophobicContact CG1-CZ 4.31Å; L127-F182 HydrophobicContact CD2-CE1 3.66Å; L127-F182 HydrophobicContact CD2-CZ 3.68Å; I129-F182 HydrophobicContact CD1-CE1 4.49Å; K160-F182 HydrophobicContact CB-CB 4.19Å; K160-F182 WeakPolarHBondContact O-CB 3.41Å; K160-F182 WeakPolarHBondContact O-CD2 3.15Å; K160-F182 PolarHBondContact O-N 3.29Å; L162-F182 HydrophobicContact CB-CE2 3.94Å; L162-F182 HydrophobicContact CB-CZ 4.43Å; I180-F182 HydrophobicContact CD1-CE1 4.12Å; I180-F182 HydrophobicContact CG1-CE1 4.29Å; I180-F182 HydrophobicContact CG2-CE1 4.13Å; I180-F182 HydrophobicContact CG2-CE2 4.18Å; I180-F182 HydrophobicContact CG2-CZ 3.71Å; F182-Q184 VanDerWaalsContact C-N 3.34Å; F182-P187 HydrophobicContact CD1-CB 4.21Å; F182-P187 HydrophobicContact CD1-CG 4.43Å
183	D	92.9	Very high	94.4	Very high	88 Å²	88	41.3 Å²	41.3	47%	0.471	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-12.7	169.2	-86.3	-43.5	0	0	0	113	K160 D181	K160-D183 WeakPolarHBondContact CB-OD2 3.16Å; K160-D183 VanDerWaalsContact CD-OD1 3.22Å; K160-D183 WeakPolarHBondContact CD-OD1 3.19Å; K160-D183 WeakPolarHBondContact CD-OD2 3.4Å; K160-D183 WeakPolarHBondContact CE-OD1 3.37Å; K160-D183 WeakPolarHBondContact CG-OD2 3.48Å; K160-D183 IonicContact NZ-OD1 3.42Å; K160-D183 PolarHBondContact NZ-OD1 3.23Å; K160-D183 IonicContact NZ-OD2 3.68Å; D181-D183 VanDerWaalsContact C-N 3.25Å; D181-D183 PolarHBondContact O-N 3.11Å; D181-D183 PolarHBondContact OD1-N 2.73Å
184	Q	93.1	Very high	93.3	Very high	104 Å²	104	41.5 Å²	41.5	49%	0.486	23%	0.225	S	C	.	.	S	Bend	trans	-68.9	146.8	174.1	-59.8	-61.6	-36	0	0	110.6	D181 F182 H186 P187	D181-Q184 HydrophobicContact CB-CG 3.84Å; D181-Q184 WeakPolarHBondContact O-CB 3.39Å; D181-Q184 PolarHBondContact O-N 2.98Å; D181-Q184 PolarHBondContact OD2-NE2 2.81Å; D181-Q184 VanDerWaalsContact OD2-NE2 3.15Å; F182-Q184 VanDerWaalsContact C-N 3.34Å; Q184-H186 PolarHBondContact O-N 2.9Å; Q184-P187 WeakPolarHBondContact O-CD 3.39Å; Q184-P187 WeakPolarHBondContact O-CG 3.27Å
185	P	92.1	Very high	91.7	Very high	112 Å²	112	43.3 Å²	43.3	73%	0.727	23%	0.234	S	C	*	.	S	Bend	trans	-59.4	-34.5	174.8	-24.6	33.6	0	0	0	113.3
186	H	92.2	Very high	89.8	Confident	165 Å²	165	52 Å²	52	76%	0.764	27%	0.274	S	S	*	.	S	Bend	trans	-128.5	80.4	175.8	-57.4	-51.5	0	0	0	109.7	Q184 S188	Q184-H186 PolarHBondContact O-N 2.9Å; H186-S188 PolarHBondContact O-N 3.05Å
187	P	94.1	Very high	88	Confident	14 Å²	14	53.7 Å²	53.7	9%	0.091	29%	0.287	C	S	.	.			trans	-53.5	125.4	178.4	-25.8	34.2	0	0	0	111.3	Y140 I180 D181 F182 Q184	Y140-P187 HydrophobicContact CE1-CB 4.35Å; Y140-P187 VanDerWaalsContact OH-CD 3.24Å; Y140-P187 WeakPolarHBondContact OH-CD 3.18Å; I180-P187 HydrophobicContact CD1-CB 3.97Å; I180-P187 HydrophobicContact CG1-CB 3.95Å; D181-P187 WeakPolarHBondContact O-CB 3.41Å; F182-P187 HydrophobicContact CD1-CB 4.21Å; F182-P187 HydrophobicContact CD1-CG 4.43Å; Q184-P187 WeakPolarHBondContact O-CD 3.39Å; Q184-P187 WeakPolarHBondContact O-CG 3.27Å
188	S	95.8	Very high	86.2	Confident	52 Å²	52	55.1 Å²	55.1	36%	0.364	30%	0.302	S	S	.	.			trans	-141.7	152.6	176.8	55.7	0	0	0	0	110	H186	H186-S188 PolarHBondContact O-N 3.05Å
189	W	96.7	Very high	84.8	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.008	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.7	-179.9	-69.3	105.3	0	0	0	111.7	F112 L127 S142 V143 N145 A146 P147 L162 V164 H178 V179 I180	F112-W189 HydrophobicContact CD2-CH2 4.16Å; F112-W189 AromaticContact CD2-CZ2 3.68Å; F112-W189 HydrophobicContact CD2-CZ2 3.68Å; F112-W189 HydrophobicContact CE2-CH2 4.21Å; F112-W189 AromaticContact CE2-CZ2 3.55Å; F112-W189 HydrophobicContact CE2-CZ2 3.55Å; F112-W189 HydrophobicContact CZ-CZ2 4.36Å; L127-W189 HydrophobicContact CD1-CZ2 4.2Å; S142-W189 PolarHBondContact OG-NE1 2.8Å; V143-W189 PolarHBondContact O-N 3.47Å; N145-W189 PolarHBondContact N-O 2.82Å; N145-W189 WeakPolarHBondContact O-CB 2.81Å; A146-W189 HydrophobicContact CB-CB 4.32Å; A146-W189 HydrophobicContact CB-CG 4.09Å; P147-W189 HydrophobicContact CG-CD2 4.41Å; P147-W189 HydrophobicContact CG-CE3 4.24Å; P147-W189 HydrophobicContact CG-CH2 4.47Å; P147-W189 HydrophobicContact CG-CZ3 4.28Å; L162-W189 HydrophobicContact CD2-CH2 3.77Å; L162-W189 HydrophobicContact CD2-CZ2 4.5Å; L162-W189 HydrophobicContact CG-CH2 4.29Å; V164-W189 HydrophobicContact CB-CZ3 4.4Å; V164-W189 HydrophobicContact CG2-CH2 3.47Å; V164-W189 VanDerWaalsContact CG2-CH2 3.47Å; V164-W189 HydrophobicContact CG2-CZ3 3.71Å; H178-W189 HydrophobicContact CB-CE3 3.93Å; H178-W189 HydrophobicContact CB-CZ3 4.21Å; V179-W189 WeakPolarHBondContact O-CA 3.1Å; I180-W189 HydrophobicContact CB-CD2 3.89Å; I180-W189 HydrophobicContact CB-CE3 3.72Å; I180-W189 HydrophobicContact CB-CG 4.49Å; I180-W189 HydrophobicContact CB-CH2 4.32Å; I180-W189 HydrophobicContact CB-CZ2 4.48Å; I180-W189 HydrophobicContact CB-CZ3 3.95Å; I180-W189 HydrophobicContact CD1-CD2 4.41Å; I180-W189 HydrophobicContact CG2-CD2 4.27Å; I180-W189 HydrophobicContact CG2-CE3 3.96Å; I180-W189 HydrophobicContact CG2-CH2 3.65Å; I180-W189 HydrophobicContact CG2-CZ2 3.98Å; I180-W189 HydrophobicContact CG2-CZ3 3.65Å
190	V	96.2	Very high	84.1	Confident	61 Å²	61	65.1 Å²	65.1	37%	0.37	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.3	171.7	-178.8	0	0	0	0	108.4	H178 V179 L192	H178-V190 CarbonylContact C-O 3.58Å; H178-V190 WeakPolarHBondContact CA-O 3.26Å; V179-V190 HydrophobicContact CG1-CB 3.98Å; V179-V190 PolarHBondContact N-O 2.89Å; V179-V190 PolarHBondContact O-N 2.92Å; V190-L192 HydrophobicContact CG1-CD2 4.05Å
191	K	95.4	Very high	83.6	Confident	80 Å²	80	67.3 Å²	67.3	35%	0.348	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118.5	171.2	-171	171.9	-170.7	168.3	0	109.1	N145 D176 S193	N145-K191 HydrophobicContact CB-CB 3.95Å; D176-K191 WeakPolarHBondContact OD1-CE 3.49Å; D176-K191 IonicContact OD1-NZ 3.84Å; D176-K191 PolarHBondContact OD1-NZ 2.85Å; D176-K191 WeakPolarHBondContact OD2-CE 3.38Å; D176-K191 IonicContact OD2-NZ 3.23Å; D176-K191 PolarHBondContact OD2-NZ 2.83Å; K191-S193 WeakPolarHBondContact CE-O 3.38Å; K191-S193 WeakPolarHBondContact CG-O 3.12Å
192	L	94.6	Very high	83.6	Confident	25 Å²	25	66.5 Å²	66.5	13%	0.131	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-29.3	-178	-61.1	-176.9	0	0	0	113.2	Y163 V177 V179 V190 F237 L239	Y163-L192 HydrophobicContact CD1-CD1 4.33Å; Y163-L192 HydrophobicContact CE1-CD1 4.11Å; V177-L192 HydrophobicContact CB-CB 4.28Å; V177-L192 HydrophobicContact CG1-CB 4.21Å; V177-L192 HydrophobicContact CG1-CD1 4.12Å; V177-L192 PolarHBondContact O-N 2.94Å; V179-L192 HydrophobicContact CB-CD1 4.06Å; V179-L192 HydrophobicContact CB-CG 4.45Å; V179-L192 HydrophobicContact CG1-CD1 3.8Å; V179-L192 HydrophobicContact CG1-CD2 3.87Å; V179-L192 HydrophobicContact CG1-CG 3.83Å; V190-L192 HydrophobicContact CG1-CD2 4.05Å; L192-F237 HydrophobicContact CB-CE1 3.9Å; L192-F237 HydrophobicContact CB-CZ 3.94Å; L192-F237 HydrophobicContact CD1-CE1 4.2Å; L192-L239 HydrophobicContact CD1-CD2 4.04Å
193	S	85.5	Confident	83.6	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.021	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.8	-178.5	178.9	0	0	0	0	109.8	V177 K191 W244	V177-S193 PolarHBondContact O-N 3.12Å; K191-S193 WeakPolarHBondContact CE-O 3.38Å; K191-S193 WeakPolarHBondContact CG-O 3.12Å; S193-W244 PolarHBondContact OG-NE1 2.9Å; S193-W244 VanDerWaalsContact OG-NE1 3.11Å
194	S	70.7	Confident	83.7	Confident	51 Å²	51	69.6 Å²	69.6	36%	0.357	37%	0.373	S	S	.	.			trans	-122.5	157.1	168.1	60.2	0	0	0	0	111.3	D176 H196 S197	D176-S194 WeakPolarHBondContact OD1-CA 3.31Å; S194-H196 PolarHBondContact O-N 2.79Å; S194-S197 PolarHBondContact N-OG 3.29Å; S194-S197 WeakPolarHBondContact O-CB 3.42Å; S194-S197 PolarHBondContact O-N 3.5Å; S194-S197 PolarHBondContact O-OG 3.01Å
195	D	60.5	Low	83.9	Confident	41 Å²	41	65.3 Å²	65.3	22%	0.219	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	2.8	-176.1	-80.7	-25.2	0	0	0	117.3	Q201	D195-Q201 VanDerWaalsContact CA-OE1 3.23Å; D195-Q201 PolarHBondContact O-OE1 2.81Å; D195-Q201 VanDerWaalsContact O-OE1 3.07Å; D195-Q201 PolarHBondContact OD1-NE2 3.42Å
196	H	56.6	Low	84.2	Confident	182 Å²	182	61.2 Å²	61.2	84%	0.843	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135	10	-179	-57.5	-44.6	0	0	0	114	S194	S194-H196 PolarHBondContact O-N 2.79Å
197	S	55.2	Low	84.4	Confident	47 Å²	47	53.6 Å²	53.6	33%	0.329	29%	0.287	S	S	.	.	S	Bend	trans	-92.5	0.7	-165	57	0	0	0	0	116.4	S194 Q243	S194-S197 PolarHBondContact N-OG 3.29Å; S194-S197 WeakPolarHBondContact O-CB 3.42Å; S194-S197 PolarHBondContact O-N 3.5Å; S194-S197 PolarHBondContact O-OG 3.01Å; S197-Q243 PolarHBondContact O-NE2 2.87Å
198	G	59.8	Low	84.6	Confident	30 Å²	30	53 Å²	53	31%	0.309	28%	0.283	S	S	.	.	S	Bend	trans	-176.8	159.7	178.4	0	0	0	0	0	117
199	N	66.2	Low	84.7	Confident	148 Å²	148	51.1 Å²	51.1	79%	0.791	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	147.3	167.2	-77.9	-25.3	0	0	0	110.1	Q201	N199-Q201 PolarHBondContact O-N 3.31Å
200	E	83.2	Confident	84.8	Confident	91 Å²	91	51.2 Å²	51.2	43%	0.425	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	10.7	175.2	-46.2	-155.7	141.5	0	0	118.5	K245 K246	E200-K245 WeakPolarHBondContact OE2-CA 3.47Å; E200-K246 PolarHBondContact OE2-N 2.95Å
201	Q	87.1	Confident	84.9	Confident	47 Å²	47	48.6 Å²	48.6	22%	0.22	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-51	129	176.2	-168.4	179.7	-5.5	0	0	111.3	D195 N199	D195-Q201 VanDerWaalsContact CA-OE1 3.23Å; D195-Q201 PolarHBondContact O-OE1 2.81Å; D195-Q201 VanDerWaalsContact O-OE1 3.07Å; D195-Q201 PolarHBondContact OD1-NE2 3.42Å; N199-Q201 PolarHBondContact O-N 3.31Å
202	P	93.9	Very high	85	Confident	10 Å²	10	46.8 Å²	46.8	7%	0.065	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-65.1	149.2	179.4	23.8	-32.7	0	0	0	111.5	M175 P235 W244	M175-P202 HydrophobicContact CB-CG 4.25Å; M175-P202 HydrophobicContact CE-CG 3.73Å; M175-P202 HydrophobicContact CG-CG 4.06Å; P202-P235 HydrophobicContact CB-CB 3.74Å; P202-P235 HydrophobicContact CB-CG 3.66Å; P202-P235 HydrophobicContact CG-CB 3.81Å; P202-P235 HydrophobicContact CG-CG 4.27Å; P202-W244 VanDerWaalsContact CD-CD2 3.4Å; P202-W244 HydrophobicContact CG-CD2 3.94Å; P202-W244 HydrophobicContact CG-CE3 3.81Å; P202-W244 HydrophobicContact CG-CH2 4.14Å; P202-W244 HydrophobicContact CG-CZ2 4.24Å; P202-W244 HydrophobicContact CG-CZ3 3.92Å
203	K	94.4	Very high	85.1	Confident	144 Å²	144	46.4 Å²	46.4	63%	0.626	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-49.1	132.6	170	-66.4	-173.6	179.8	-172.2	0	110.4	R205 F229	K203-R205 PolarHBondContact O-NE 2.87Å; K203-R205 PolarHBondContact O-NH2 2.85Å; K203-F229 HydrophobicContact CB-CD2 4.5Å; K203-F229 HydrophobicContact CB-CE2 3.73Å; K203-F229 HydrophobicContact CB-CZ 3.93Å; K203-F229 HydrophobicContact CD-CE1 4.33Å; K203-F229 HydrophobicContact CD-CZ 4.15Å
204	P	95.1	Very high	85.6	Confident	52 Å²	52	53.1 Å²	53.1	34%	0.338	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-52.6	140.7	175.1	-28.4	35.5	0	0	0	113.2	Y173 F229	Y173-P204 WeakPolarHBondContact O-CB 3.35Å; P204-F229 WeakPolarHBondContact O-CE2 3.46Å
205	R	97.1	Very high	86.7	Confident	15 Å²	15	54.1 Å²	54.1	6%	0.057	27%	0.272	C	S	.	.			trans	-159.3	158.4	-170.3	57.2	-172.9	78	-167.4	4.9	114.4	G167 C174 M175 K203 H208 G221 G223 F229	G167-R205 PolarHBondContact N-O 3.06Å; G167-R205 VanDerWaalsContact N-O 3.12Å; C174-R205 PolarHBondContact O-N 3.06Å; M175-R205 HydrophobicContact CG-CG 4.02Å; M175-R205 HydrophobicContact SD-CG 3.36Å; M175-R205 WeakPolarHBondContact SD-CG 3.46Å; K203-R205 PolarHBondContact O-NE 2.87Å; K203-R205 PolarHBondContact O-NH2 2.85Å; R205-H208 HydrophobicContact CG-CB 4.34Å; R205-H208 PolarHBondContact O-CE1 2.64Å; R205-H208 PolarHBondContact O-ND1 2.86Å; R205-G221 WeakPolarHBondContact CD-O 3.25Å; R205-G221 PolarHBondContact NH1-O 2.96Å; R205-G223 CarbonylContact C-O 3.53Å; R205-G223 WeakPolarHBondContact CA-O 3.39Å; R205-G223 WeakPolarHBondContact CB-O 3.35Å; R205-F229 HydrophobicContact CB-CD2 4.02Å; R205-F229 HydrophobicContact CB-CE2 3.82Å; R205-F229 VanDerWaalsContact CZ-CD2 3.43Å
206	Y	97.2	Very high	88.5	Confident	26 Å²	26	52.7 Å²	52.7	10%	0.102	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	167.5	167.1	86.2	-43.1	0	0	0	110.9	Y151 G152 T168 Y173 H208 G222 G223 T224	Y151-Y206 HydrophobicContact CD2-CD2 4.39Å; Y151-Y206 HydrophobicContact CE2-CD2 4.1Å; Y151-Y206 HydrophobicContact CE2-CE2 4.18Å; G152-Y206 CarbonylContact O-C 3.57Å; G152-Y206 WeakPolarHBondContact O-CA 3.22Å; T168-Y206 HydrophobicContact CG2-CD2 3.59Å; T168-Y206 HydrophobicContact CG2-CE2 4.43Å; T168-Y206 HydrophobicContact CG2-CG 3.74Å; Y173-Y206 HydrophobicContact CD1-CD1 4.3Å; Y173-Y206 AromaticContact CE1-CD1 3.78Å; Y173-Y206 HydrophobicContact CE1-CD1 3.78Å; Y173-Y206 HydrophobicContact CE1-CE1 4.26Å; Y173-Y206 HydrophobicContact CE1-CG 4.19Å; Y206-H208 PolarHBondContact O-N 2.87Å; Y206-G222 VanDerWaalsContact O-CA 3.3Å; Y206-G222 WeakPolarHBondContact O-CA 3.35Å; Y206-G223 VanDerWaalsContact CD1-O 3.3Å; Y206-G223 WeakPolarHBondContact CD1-O 3.5Å; Y206-G223 PolarHBondContact N-O 2.84Å; Y206-G223 PolarHBondContact O-N 3.48Å; Y206-T224 VanDerWaalsContact CE1-C 3.49Å
207	R	97.2	Very high	90.5	Very high	5 Å²	5	44 Å²	44	2%	0.019	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.6	30.4	179.4	-62.3	-62.6	-164.2	161.5	13	113.5	S99 G152 G222 R262 A263 F311	S99-R207 VanDerWaalsContact CB-CZ 3.45Å; S99-R207 PolarHBondContact OG-NH2 2.79Å; G152-R207 PolarHBondContact O-N 2.62Å; R207-G222 WeakPolarHBondContact O-CA 3.11Å; R207-R262 HydrophobicContact CB-CB 4.1Å; R207-A263 HydrophobicContact CB-CB 4.22Å; R207-A263 HydrophobicContact CG-CB 4.42Å; R207-A263 PolarHBondContact O-N 3.41Å; R207-A263 VanDerWaalsContact O-N 3.09Å; R207-F311 HydrophobicContact CG-CE1 4.17Å
208	H	98.3	Very high	92.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	168.9	159.1	58.2	-73.3	0	0	0	108.5	A154 I165 R205 Y206 I219 F220	A154-H208 WeakPolarHBondContact CB-CD2 3.5Å; A154-H208 WeakPolarHBondContact CB-NE2 3.18Å; I165-H208 PolarHBondContact O-CE1 2.76Å; I165-H208 VanDerWaalsContact O-CE1 3.32Å; I165-H208 PolarHBondContact O-NE2 3.02Å; I165-H208 VanDerWaalsContact O-NE2 3.15Å; R205-H208 HydrophobicContact CG-CB 4.34Å; R205-H208 PolarHBondContact O-CE1 2.64Å; R205-H208 PolarHBondContact O-ND1 2.86Å; Y206-H208 PolarHBondContact O-N 2.87Å; H208-I219 HydrophobicContact CB-CG2 4.19Å; H208-F220 WeakPolarHBondContact CA-O 3.3Å; H208-F220 WeakPolarHBondContact CB-O 3.28Å
209	E	98.4	Very high	94.4	Very high	14 Å²	14	41.9 Å²	41.9	7%	0.065	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	155.6	175.7	-63.8	-67.4	165.7	0	0	109.3	R47 F220 F264 F266	R47-E209 IonicContact CZ-OE1 2.78Å; R47-E209 VanDerWaalsContact CZ-OE1 3.31Å; R47-E209 IonicContact NH1-OE1 2.64Å; R47-E209 PolarHBondContact NH1-OE1 3.24Å; R47-E209 IonicContact NH2-OE1 2.94Å; R47-E209 PolarHBondContact NH2-OE1 2.9Å; R47-E209 IonicContact NH2-OE2 2.82Å; E209-F220 PolarHBondContact N-O 3.33Å; E209-F220 PolarHBondContact O-N 2.91Å; E209-F264 HydrophobicContact CB-CE2 3.9Å; E209-F264 HydrophobicContact CB-CZ 4.11Å; E209-F264 HydrophobicContact CG-CD2 4.34Å; E209-F264 HydrophobicContact CG-CE2 3.69Å; E209-F264 HydrophobicContact CG-CZ 3.97Å; E209-F266 HydrophobicContact CB-CB 3.65Å; E209-F266 HydrophobicContact CB-CD1 3.63Å; E209-F266 HydrophobicContact CB-CD2 3.66Å; E209-F266 HydrophobicContact CB-CE1 4.08Å; E209-F266 HydrophobicContact CB-CE2 4.04Å; E209-F266 HydrophobicContact CB-CG 3.38Å; E209-F266 HydrophobicContact CB-CZ 4.26Å; E209-F266 HydrophobicContact CG-CB 3.49Å; E209-F266 VanDerWaalsContact CG-CB 3.49Å; E209-F266 HydrophobicContact CG-CD1 4.33Å; E209-F266 HydrophobicContact CG-CD2 4.38Å; E209-F266 HydrophobicContact CG-CG 3.87Å
210	A	98.3	Very high	95.9	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.033	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.9	-175	0	0	0	0	0	111.6	A154 I165 Y218 I219 F266	A154-A210 HydrophobicContact CB-CB 3.64Å; I165-A210 HydrophobicContact CD1-CB 3.99Å; A210-Y218 VanDerWaalsContact CA-O 3.25Å; A210-Y218 WeakPolarHBondContact CA-O 3.42Å; A210-I219 HydrophobicContact CB-CD1 3.6Å; A210-F266 WeakPolarHBondContact O-CE1 3.2Å
211	T	98.2	Very high	96.6	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.8	165.3	-154.8	0	0	0	0	111.3	Y218 F220 F266 R268 V273 L293	T211-Y218 PolarHBondContact N-O 3.38Å; T211-Y218 PolarHBondContact O-N 3.17Å; T211-F220 HydrophobicContact CG2-CE2 4.35Å; T211-F266 HydrophobicContact CG2-CZ 4.5Å; T211-R268 WeakPolarHBondContact OG1-CD 3.31Å; T211-V273 HydrophobicContact CG2-CG2 3.7Å; T211-L293 HydrophobicContact CG2-CD1 4.1Å; T211-L293 HydrophobicContact CG2-CD2 3.93Å
212	W	97.8	Very high	97.2	Very high	43 Å²	43	28.3 Å²	28.3	16%	0.163	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	145.8	165.7	162.3	86	0	0	0	109.7	T156 H158 K214 A216 L217 R268	T156-W212 HydrophobicContact CG2-CB 4.13Å; T156-W212 PolarHBondContact OG1-N 2.86Å; H158-W212 HydrophobicContact CB-CB 4.39Å; H158-W212 HydrophobicContact CB-CD2 3.8Å; H158-W212 HydrophobicContact CB-CE3 4.06Å; H158-W212 HydrophobicContact CB-CG 3.91Å; H158-W212 AromaticContact CD2-CE2 3.59Å; H158-W212 AromaticContact CD2-CZ2 3.69Å; H158-W212 AromaticContact CD2-NE1 3.85Å; H158-W212 AromaticContact CE1-CE2 3.94Å; H158-W212 AromaticContact CE1-CH2 3.16Å; H158-W212 WeakPolarHBondContact CE1-CH2 3.32Å; H158-W212 AromaticContact CE1-CZ2 3.38Å; H158-W212 WeakPolarHBondContact CE1-CZ2 3.46Å; H158-W212 AromaticContact CE1-CZ3 3.53Å; H158-W212 AromaticContact CG-CD2 3.58Å; H158-W212 AromaticContact CG-CE2 3.62Å; H158-W212 AromaticContact CG-CE3 3.75Å; H158-W212 AromaticContact CG-CZ2 3.89Å; H158-W212 AromaticContact ND1-CD2 3.76Å; H158-W212 AromaticContact ND1-CE2 3.83Å; H158-W212 AromaticContact ND1-CE3 3.44Å; H158-W212 AromaticContact ND1-CH2 3.44Å; H158-W212 WeakPolarHBondContact ND1-CH2 3.49Å; H158-W212 AromaticContact ND1-CZ2 3.7Å; H158-W212 AromaticContact ND1-CZ3 3.29Å; H158-W212 VanDerWaalsContact ND1-CZ3 3.29Å; H158-W212 WeakPolarHBondContact ND1-CZ3 3.48Å; H158-W212 AromaticContact NE2-CE2 3.78Å; H158-W212 AromaticContact NE2-CH2 3.65Å; H158-W212 AromaticContact NE2-CZ2 3.34Å; H158-W212 VanDerWaalsContact NE2-CZ2 3.34Å; H158-W212 WeakPolarHBondContact NE2-CZ2 3.39Å; W212-K214 WeakPolarHBondContact CZ2-O 3.49Å; W212-K214 PolarHBondContact NE1-O 2.86Å; W212-A216 CarbonylContact C-O 3.53Å; W212-A216 WeakPolarHBondContact CA-O 3.03Å; W212-L217 HydrophobicContact CB-CD2 4.05Å; W212-R268 VanDerWaalsContact CZ3-NH1 3.33Å; W212-R268 PolarHBondContact O-NH1 2.92Å
213	Y	97.6	Very high	97.3	Very high	16 Å²	16	27.8 Å²	27.8	6%	0.063	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	125.6	163.9	-179.9	-113.3	0	0	0	109.8	N215 A216 Y218 D271 L293 Q294	Y213-N215 PolarHBondContact O-N 3.09Å; Y213-A216 PolarHBondContact N-O 3.08Å; Y213-A216 PolarHBondContact O-N 2.82Å; Y213-A216 VanDerWaalsContact O-N 3.16Å; Y213-Y218 HydrophobicContact CD1-CE2 4.29Å; Y213-D271 HydrophobicContact CE2-CB 4.3Å; Y213-D271 WeakPolarHBondContact CE2-OD1 3.11Å; Y213-L293 HydrophobicContact CD1-CB 3.83Å; Y213-L293 HydrophobicContact CD2-CB 3.82Å; Y213-L293 HydrophobicContact CD2-CD1 3.88Å; Y213-L293 HydrophobicContact CD2-CG 4.41Å; Y213-L293 HydrophobicContact CE1-CB 3.95Å; Y213-L293 VanDerWaalsContact CE1-O 3.3Å; Y213-L293 WeakPolarHBondContact CE1-O 3.37Å; Y213-L293 HydrophobicContact CE2-CB 3.96Å; Y213-L293 HydrophobicContact CG-CB 3.76Å; Y213-L293 HydrophobicContact CG-CD1 4.07Å; Y213-L293 HydrophobicContact CG-CD2 4.4Å; Y213-L293 HydrophobicContact CG-CG 4.3Å; Y213-Q294 WeakPolarHBondContact OH-CA 3.46Å
214	K	94.5	Very high	97.4	Very high	145 Å²	145	22.2 Å²	22.2	63%	0.63	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	-94	-174.1	-62.4	176.8	175.4	176.8	0	112.2	W212	W212-K214 WeakPolarHBondContact CZ2-O 3.49Å; W212-K214 PolarHBondContact NE1-O 2.86Å
215	N	94.9	Very high	97.2	Very high	72 Å²	72	21.5 Å²	21.5	39%	0.385	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	30.9	-179	-157.3	25.6	0	0	0	112.1	Y213 L239 E240	Y213-N215 PolarHBondContact O-N 3.09Å; N215-L239 WeakPolarHBondContact O-CB 3.27Å; N215-L239 PolarHBondContact O-N 2.86Å; N215-E240 WeakPolarHBondContact ND2-CB 2.94Å; N215-E240 PolarHBondContact ND2-OE2 3.45Å
216	A	97.4	Very high	96.9	Very high	11 Å²	11	26.6 Å²	26.6	9%	0.091	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	157.9	-178.5	0	0	0	0	0	112.7	W212 Y213 Y218 V236 F237	W212-A216 CarbonylContact C-O 3.53Å; W212-A216 WeakPolarHBondContact CA-O 3.03Å; Y213-A216 PolarHBondContact N-O 3.08Å; Y213-A216 PolarHBondContact O-N 2.82Å; Y213-A216 VanDerWaalsContact O-N 3.16Å; A216-Y218 HydrophobicContact CB-CD2 4.47Å; A216-Y218 HydrophobicContact CB-CE2 3.88Å; A216-V236 HydrophobicContact CB-CG1 3.62Å; A216-F237 CarbonylContact C-O 3.48Å; A216-F237 WeakPolarHBondContact CA-O 3.5Å; A216-F237 WeakPolarHBondContact CB-O 3.47Å
217	L	98.1	Very high	96.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.4	174.5	-49.4	177.5	0	0	0	109.4	T156 Y163 I165 V177 W212 V236 F237 L239	T156-L217 HydrophobicContact CG2-CD2 3.78Å; Y163-L217 HydrophobicContact CD1-CD1 3.93Å; Y163-L217 HydrophobicContact CD1-CD2 4.29Å; Y163-L217 HydrophobicContact CD2-CD2 4.2Å; Y163-L217 HydrophobicContact CG-CD1 4.14Å; Y163-L217 HydrophobicContact CG-CD2 4.03Å; I165-L217 HydrophobicContact CD1-CD1 4.24Å; I165-L217 HydrophobicContact CG1-CD1 4.22Å; V177-L217 HydrophobicContact CG1-CD1 3.72Å; W212-L217 HydrophobicContact CB-CD2 4.05Å; L217-V236 CarbonylContact O-C 3.57Å; L217-V236 VanDerWaalsContact O-CA 3.28Å; L217-V236 WeakPolarHBondContact O-CA 3.41Å; L217-F237 HydrophobicContact CB-CB 4.23Å; L217-F237 HydrophobicContact CD1-CD1 4.23Å; L217-F237 PolarHBondContact N-O 3.07Å; L217-F237 PolarHBondContact O-N 3.25Å; L217-L239 HydrophobicContact CD1-CD2 4.01Å; L217-L239 HydrophobicContact CD2-CD1 4.09Å; L217-L239 HydrophobicContact CD2-CD2 4.29Å; L217-L239 HydrophobicContact CD2-CG 4.47Å; L217-L239 HydrophobicContact CG-CD1 4.39Å; L217-L239 HydrophobicContact CG-CD2 3.9Å; L217-L239 HydrophobicContact CG-CG 4.22Å
218	Y	98.5	Very high	96.9	Very high	31 Å²	31	26.6 Å²	26.6	12%	0.122	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.3	-178	-69.9	-114.7	0	0	0	109.2	A210 T211 Y213 A216 F220 V236 L247 L293	A210-Y218 VanDerWaalsContact CA-O 3.25Å; A210-Y218 WeakPolarHBondContact CA-O 3.42Å; T211-Y218 PolarHBondContact N-O 3.38Å; T211-Y218 PolarHBondContact O-N 3.17Å; Y213-Y218 HydrophobicContact CD1-CE2 4.29Å; A216-Y218 HydrophobicContact CB-CD2 4.47Å; A216-Y218 HydrophobicContact CB-CE2 3.88Å; Y218-F220 WeakPolarHBondContact O-CD2 3.46Å; Y218-V236 HydrophobicContact CD1-CG2 3.73Å; Y218-V236 HydrophobicContact CD2-CG1 4.37Å; Y218-V236 HydrophobicContact CE1-CG1 4.45Å; Y218-V236 HydrophobicContact CE1-CG2 3.93Å; Y218-V236 HydrophobicContact CE2-CG1 4.15Å; Y218-V236 HydrophobicContact CG-CG2 4.19Å; Y218-L247 HydrophobicContact CD1-CD2 4.01Å; Y218-L247 HydrophobicContact CE1-CD2 3.55Å; Y218-L293 HydrophobicContact CD1-CD2 4.32Å; Y218-L293 HydrophobicContact CG-CD2 4.29Å
219	I	98.3	Very high	96.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.4	-174.4	-52.2	-54.6	0	0	0	110.7	I165 M175 H208 A210 L234 P235 W244	I165-I219 HydrophobicContact CB-CD1 4.49Å; I165-I219 HydrophobicContact CG1-CD1 4.43Å; I165-I219 HydrophobicContact CG2-CD1 4.05Å; M175-I219 HydrophobicContact CE-CG1 4.08Å; M175-I219 HydrophobicContact CE-CG2 4.2Å; H208-I219 HydrophobicContact CB-CG2 4.19Å; A210-I219 HydrophobicContact CB-CD1 3.6Å; I219-L234 WeakPolarHBondContact O-CD2 3.39Å; I219-P235 HydrophobicContact CB-CB 4.08Å; I219-P235 HydrophobicContact CB-CG 4.27Å; I219-P235 HydrophobicContact CG1-CB 4.34Å; I219-P235 PolarHBondContact N-O 2.95Å; I219-P235 WeakPolarHBondContact O-CD 3.14Å; I219-W244 HydrophobicContact CD1-CH2 4.41Å; I219-W244 HydrophobicContact CG1-CH2 3.9Å; I219-W244 HydrophobicContact CG1-CZ3 3.73Å
220	F	98.6	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.4	-176.9	-63.4	-94.6	0	0	0	110.8	H208 E209 T211 Y218 L231 L234 F264 F266 F291 W298	H208-F220 WeakPolarHBondContact CA-O 3.3Å; H208-F220 WeakPolarHBondContact CB-O 3.28Å; E209-F220 PolarHBondContact N-O 3.33Å; E209-F220 PolarHBondContact O-N 2.91Å; T211-F220 HydrophobicContact CG2-CE2 4.35Å; Y218-F220 WeakPolarHBondContact O-CD2 3.46Å; F220-L231 HydrophobicContact CB-CD2 4.44Å; F220-L231 HydrophobicContact CD1-CD2 4.46Å; F220-L234 HydrophobicContact CD1-CD1 4.22Å; F220-L234 HydrophobicContact CD1-CD2 3.72Å; F220-L234 HydrophobicContact CE1-CD1 3.58Å; F220-L234 HydrophobicContact CE1-CD2 3.97Å; F220-L234 HydrophobicContact CE1-CG 4.46Å; F220-L234 HydrophobicContact CG-CD2 4.37Å; F220-L234 HydrophobicContact CZ-CD1 4.02Å; F220-F264 HydrophobicContact CB-CZ 4.19Å; F220-F264 WeakPolarHBondContact O-CZ 3.47Å; F220-F266 HydrophobicContact CB-CE2 3.91Å; F220-F266 HydrophobicContact CD1-CE2 4.4Å; F220-F266 AromaticContact CD2-CE2 3.44Å; F220-F266 HydrophobicContact CD2-CE2 3.44Å; F220-F266 VanDerWaalsContact CD2-CE2 3.44Å; F220-F266 AromaticContact CD2-CZ 3.6Å; F220-F266 HydrophobicContact CD2-CZ 3.6Å; F220-F266 HydrophobicContact CE2-CE2 4.02Å; F220-F266 AromaticContact CE2-CZ 3.94Å; F220-F266 HydrophobicContact CE2-CZ 3.94Å; F220-F266 AromaticContact CG-CE2 3.65Å; F220-F266 HydrophobicContact CG-CE2 3.65Å; F220-F266 HydrophobicContact CG-CZ 4.3Å; F220-F291 HydrophobicContact CE1-CB 4.16Å; F220-F291 AromaticContact CE1-CD1 3.99Å; F220-F291 HydrophobicContact CE1-CD1 3.99Å; F220-F291 HydrophobicContact CE1-CD2 4.42Å; F220-F291 HydrophobicContact CE1-CE1 4.48Å; F220-F291 AromaticContact CE1-CG 3.93Å; F220-F291 HydrophobicContact CE1-CG 3.93Å; F220-F291 AromaticContact CZ-CD1 3.83Å; F220-F291 HydrophobicContact CZ-CD1 3.83Å; F220-F291 HydrophobicContact CZ-CE1 4.24Å; F220-F291 HydrophobicContact CZ-CG 4.24Å; F220-W298 AromaticContact CD1-CH2 3.63Å; F220-W298 HydrophobicContact CD1-CH2 3.63Å; F220-W298 AromaticContact CD1-CZ2 3.71Å; F220-W298 HydrophobicContact CD1-CZ2 3.71Å; F220-W298 AromaticContact CE1-CH2 3.72Å; F220-W298 HydrophobicContact CE1-CH2 3.72Å; F220-W298 AromaticContact CE1-CZ2 3.7Å; F220-W298 HydrophobicContact CE1-CZ2 3.7Å
221	G	98.4	Very high	96.8	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.4	-136.7	170.6	0	0	0	0	0	114.7	R205	R205-G221 WeakPolarHBondContact CD-O 3.25Å; R205-G221 PolarHBondContact NH1-O 2.96Å
222	G	98.4	Very high	96.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.3	-166	-173.8	0	0	0	0	0	112.7	Y206 R207 S228 F229 R261	Y206-G222 VanDerWaalsContact O-CA 3.3Å; Y206-G222 WeakPolarHBondContact O-CA 3.35Å; R207-G222 WeakPolarHBondContact O-CA 3.11Å; G222-S228 CarbonylContact O-C 3.53Å; G222-S228 WeakPolarHBondContact O-CA 3.42Å; G222-F229 PolarHBondContact O-N 3.32Å; G222-R261 PolarHBondContact N-O 3.25Å
223	G	97.6	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.3	-151.5	-179	0	0	0	0	0	113.5	R205 Y206 S227	R205-G223 CarbonylContact C-O 3.53Å; R205-G223 WeakPolarHBondContact CA-O 3.39Å; R205-G223 WeakPolarHBondContact CB-O 3.35Å; Y206-G223 VanDerWaalsContact CD1-O 3.3Å; Y206-G223 WeakPolarHBondContact CD1-O 3.5Å; Y206-G223 PolarHBondContact N-O 2.84Å; Y206-G223 PolarHBondContact O-N 3.48Å; G223-S227 CarbonylContact C-O 3.53Å; G223-S227 WeakPolarHBondContact CA-O 3.26Å
224	T	96.3	Very high	96.8	Very high	27 Å²	27	36.3 Å²	36.3	17%	0.166	20%	0.198	C	C	.	.			trans	-116.3	178.8	168.6	65.2	0	0	0	0	109.5	Y173 Y206 T226 S227 F229 R262	Y173-T224 HydrophobicContact CD1-CG2 4.38Å; Y173-T224 HydrophobicContact CD2-CG2 4.47Å; Y173-T224 HydrophobicContact CE1-CG2 4.34Å; Y173-T224 HydrophobicContact CE2-CG2 4.45Å; Y173-T224 HydrophobicContact CG-CG2 4.46Å; Y206-T224 VanDerWaalsContact CE1-C 3.49Å; T224-T226 PolarHBondContact O-N 2.8Å; T224-T226 VanDerWaalsContact O-N 3.11Å; T224-T226 PolarHBondContact OG1-N 2.82Å; T224-T226 PolarHBondContact OG1-OG1 3.08Å; T224-S227 PolarHBondContact N-O 2.77Å; T224-S227 PolarHBondContact O-N 3.21Å; T224-S227 PolarHBondContact OG1-N 3.38Å; T224-S227 PolarHBondContact OG1-OG 3.22Å; T224-F229 HydrophobicContact CG2-CZ 4.11Å; T224-R262 PolarHBondContact O-NH1 2.8Å
225	G	90.7	Very high	97	Very high	37 Å²	37	30 Å²	30	38%	0.381	17%	0.172	S	C	.	.	S	Bend	trans	-54.1	-30.4	175	0	0	0	0	0	113.8	Y173 R262	Y173-G225 PolarHBondContact OH-N 3.04Å; G225-R262 PolarHBondContact O-NH2 3.14Å
226	T	90.5	Very high	97.1	Very high	122 Å²	122	27.2 Å²	27.2	75%	0.748	16%	0.157	S	C	*	.	S	Bend	trans	-106.4	-14.2	-175	55.9	0	0	0	0	114.4	T224	T224-T226 PolarHBondContact O-N 2.8Å; T224-T226 VanDerWaalsContact O-N 3.11Å; T224-T226 PolarHBondContact OG1-N 2.82Å; T224-T226 PolarHBondContact OG1-OG1 3.08Å
227	S	95.9	Very high	97	Very high	28 Å²	28	26.7 Å²	26.7	20%	0.196	15%	0.153	C	C	.	.			trans	-144.1	149.8	-170.7	75.9	0	0	0	0	112.4	G223 T224 R262 E281	G223-S227 CarbonylContact C-O 3.53Å; G223-S227 WeakPolarHBondContact CA-O 3.26Å; T224-S227 PolarHBondContact N-O 2.77Å; T224-S227 PolarHBondContact O-N 3.21Å; T224-S227 PolarHBondContact OG1-N 3.38Å; T224-S227 PolarHBondContact OG1-OG 3.22Å; S227-R262 PolarHBondContact O-NH1 3.43Å; S227-E281 VanDerWaalsContact C-OE1 3.3Å; S227-E281 WeakPolarHBondContact CA-OE1 3.49Å
228	S	98.1	Very high	96.9	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-114.3	151.6	177.6	-45.4	0	0	0	0	108.6	G222 R260 R262 N280 E281	G222-S228 CarbonylContact O-C 3.53Å; G222-S228 WeakPolarHBondContact O-CA 3.42Å; S228-R260 PolarHBondContact O-NE 2.58Å; S228-R260 PolarHBondContact O-NH2 3.38Å; S228-R262 PolarHBondContact OG-NH1 3.03Å; S228-R262 VanDerWaalsContact OG-NH1 3.11Å; S228-N280 WeakPolarHBondContact OG-CA 3.38Å; S228-E281 WeakPolarHBondContact CA-OE1 3.37Å; S228-E281 WeakPolarHBondContact CB-OE1 3.35Å; S228-E281 PolarHBondContact N-OE1 2.84Å; S228-E281 PolarHBondContact OG-OE1 2.68Å
229	F	98	Very high	96.7	Very high	31 Å²	31	27.7 Å²	27.7	14%	0.136	16%	0.16	C	C	.	.			trans	-107.4	151.2	-175.9	-61.9	-25.9	0	0	0	111.3	K203 P204 R205 G222 T224 R260 R261	K203-F229 HydrophobicContact CB-CD2 4.5Å; K203-F229 HydrophobicContact CB-CE2 3.73Å; K203-F229 HydrophobicContact CB-CZ 3.93Å; K203-F229 HydrophobicContact CD-CE1 4.33Å; K203-F229 HydrophobicContact CD-CZ 4.15Å; P204-F229 WeakPolarHBondContact O-CE2 3.46Å; R205-F229 HydrophobicContact CB-CD2 4.02Å; R205-F229 HydrophobicContact CB-CE2 3.82Å; R205-F229 VanDerWaalsContact CZ-CD2 3.43Å; G222-F229 PolarHBondContact O-N 3.32Å; T224-F229 HydrophobicContact CG2-CZ 4.11Å; F229-R260 VanDerWaalsContact O-CA 3.25Å; F229-R260 WeakPolarHBondContact O-CA 3.47Å; F229-R260 WeakPolarHBondContact O-CB 3.43Å; F229-R261 PolarHBondContact O-N 2.79Å
230	K	97.8	Very high	96.5	Very high	160 Å²	160	34.9 Å²	34.9	70%	0.696	19%	0.194	S	C	*	.			trans	-67.3	155.6	178.6	-63.8	-176.7	179.7	-178.7	0	110.1	R260	K230-R260 HydrophobicContact CG-CB 4.46Å
231	L	98.2	Very high	96.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.214	C	C	.	.	S	Bend	trans	-98.5	17.3	176.1	-74.1	84.9	0	0	0	112.4	F220 L234 P258 R261 L275 W298	F220-L231 HydrophobicContact CB-CD2 4.44Å; F220-L231 HydrophobicContact CD1-CD2 4.46Å; L231-L234 HydrophobicContact CB-CD2 4.41Å; L231-L234 WeakPolarHBondContact O-CD2 3.29Å; L231-P258 HydrophobicContact CB-CG 4.49Å; L231-P258 HydrophobicContact CD2-CB 4.23Å; L231-P258 HydrophobicContact CD2-CG 4.31Å; L231-R261 HydrophobicContact CD1-CG 3.79Å; L231-L275 HydrophobicContact CD2-CD2 3.72Å; L231-W298 HydrophobicContact CB-CZ2 4.01Å; L231-W298 HydrophobicContact CD2-CH2 3.79Å; L231-W298 HydrophobicContact CD2-CZ2 3.95Å
232	N	97.9	Very high	96	Very high	34 Å²	34	44.3 Å²	44.3	18%	0.182	24%	0.237	C	C	.	.	S	Bend	trans	-154.6	132.8	169.9	-168.8	59.1	0	0	0	109.9	A249 Y257	N232-A249 PolarHBondContact OD1-N 3.44Å; N232-Y257 HydrophobicContact CB-CD1 3.61Å; N232-Y257 HydrophobicContact CB-CD2 4.31Å; N232-Y257 HydrophobicContact CB-CE1 3.69Å; N232-Y257 HydrophobicContact CB-CE2 4.38Å; N232-Y257 HydrophobicContact CB-CG 3.94Å; N232-Y257 VanDerWaalsContact CG-CE1 3.44Å; N232-Y257 PolarHBondContact ND2-OH 3.06Å
233	P	97.5	Very high	95.7	Very high	60 Å²	60	47.7 Å²	47.7	39%	0.39	25%	0.253	S	S	.	.	S	Bend	cis	-63	153.9	-10.7	29.6	-35.5	0	0	0	112.1	K246 L247	P233-K246 HydrophobicContact CB-CB 4.02Å; P233-K246 HydrophobicContact CB-CG 4.47Å; P233-K246 HydrophobicContact CG-CB 4.34Å; P233-K246 HydrophobicContact CG-CD 4.19Å; P233-K246 HydrophobicContact CG-CG 4.32Å; P233-L247 CarbonylContact C-O 3.54Å; P233-L247 VanDerWaalsContact CA-O 3.31Å; P233-L247 WeakPolarHBondContact CA-O 3.31Å; P233-L247 WeakPolarHBondContact CB-O 3.35Å
234	L	98	Very high	95.6	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.5	174.7	-66	174.3	0	0	0	110	I219 F220 L231 L247 F291 W298	I219-L234 WeakPolarHBondContact O-CD2 3.39Å; F220-L234 HydrophobicContact CD1-CD1 4.22Å; F220-L234 HydrophobicContact CD1-CD2 3.72Å; F220-L234 HydrophobicContact CE1-CD1 3.58Å; F220-L234 HydrophobicContact CE1-CD2 3.97Å; F220-L234 HydrophobicContact CE1-CG 4.46Å; F220-L234 HydrophobicContact CG-CD2 4.37Å; F220-L234 HydrophobicContact CZ-CD1 4.02Å; L231-L234 HydrophobicContact CB-CD2 4.41Å; L231-L234 WeakPolarHBondContact O-CD2 3.29Å; L234-L247 HydrophobicContact CB-CB 4.36Å; L234-L247 PolarHBondContact N-O 2.67Å; L234-L247 PolarHBondContact O-N 2.97Å; L234-F291 HydrophobicContact CD1-CD2 4.4Å; L234-F291 HydrophobicContact CD1-CE1 4.13Å; L234-F291 HydrophobicContact CD1-CE2 3.77Å; L234-F291 HydrophobicContact CD1-CZ 3.59Å; L234-W298 HydrophobicContact CD1-CZ2 4.45Å; L234-W298 HydrophobicContact CD2-CZ2 4.32Å
235	P	97	Very high	95.5	Very high	12 Å²	12	51.2 Å²	51.2	8%	0.078	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.5	166	-14.4	28.7	0	0	0	110.2	P202 I219 W244	P202-P235 HydrophobicContact CB-CB 3.74Å; P202-P235 HydrophobicContact CB-CG 3.66Å; P202-P235 HydrophobicContact CG-CB 3.81Å; P202-P235 HydrophobicContact CG-CG 4.27Å; I219-P235 HydrophobicContact CB-CB 4.08Å; I219-P235 HydrophobicContact CB-CG 4.27Å; I219-P235 HydrophobicContact CG1-CB 4.34Å; I219-P235 PolarHBondContact N-O 2.95Å; I219-P235 WeakPolarHBondContact O-CD 3.14Å; P235-W244 HydrophobicContact CB-CE3 4.09Å; P235-W244 HydrophobicContact CB-CZ3 3.95Å
236	V	97	Very high	95.7	Very high	14 Å²	14	55 Å²	55	9%	0.085	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.5	177.2	-179.3	0	0	0	0	108.5	A216 L217 Y218 W244 K245 L247	A216-V236 HydrophobicContact CB-CG1 3.62Å; L217-V236 CarbonylContact O-C 3.57Å; L217-V236 VanDerWaalsContact O-CA 3.28Å; L217-V236 WeakPolarHBondContact O-CA 3.41Å; Y218-V236 HydrophobicContact CD1-CG2 3.73Å; Y218-V236 HydrophobicContact CD2-CG1 4.37Å; Y218-V236 HydrophobicContact CE1-CG1 4.45Å; Y218-V236 HydrophobicContact CE1-CG2 3.93Å; Y218-V236 HydrophobicContact CE2-CG1 4.15Å; Y218-V236 HydrophobicContact CG-CG2 4.19Å; V236-W244 CarbonylContact O-C 3.56Å; V236-W244 WeakPolarHBondContact O-CA 3.34Å; V236-K245 PolarHBondContact N-O 2.82Å; V236-K245 PolarHBondContact O-N 3.04Å; V236-L247 HydrophobicContact CG2-CB 3.68Å; V236-L247 HydrophobicContact CG2-CD2 4.25Å
237	F	96.3	Very high	96.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.6	174.8	-172.9	-105	0	0	0	109.6	V177 L192 A216 L217 L239 R242 W244	V177-F237 HydrophobicContact CB-CD1 4.44Å; V177-F237 HydrophobicContact CB-CE1 4.27Å; V177-F237 HydrophobicContact CB-CZ 4.48Å; V177-F237 HydrophobicContact CG1-CD1 4.08Å; V177-F237 HydrophobicContact CG1-CE1 4.05Å; V177-F237 HydrophobicContact CG2-CD1 4.17Å; V177-F237 HydrophobicContact CG2-CD2 4.23Å; V177-F237 HydrophobicContact CG2-CE1 4.39Å; V177-F237 HydrophobicContact CG2-CE2 4.45Å; V177-F237 HydrophobicContact CG2-CG 4.08Å; L192-F237 HydrophobicContact CB-CE1 3.9Å; L192-F237 HydrophobicContact CB-CZ 3.94Å; L192-F237 HydrophobicContact CD1-CE1 4.2Å; A216-F237 CarbonylContact C-O 3.48Å; A216-F237 WeakPolarHBondContact CA-O 3.5Å; A216-F237 WeakPolarHBondContact CB-O 3.47Å; L217-F237 HydrophobicContact CB-CB 4.23Å; L217-F237 HydrophobicContact CD1-CD1 4.23Å; L217-F237 PolarHBondContact N-O 3.07Å; L217-F237 PolarHBondContact O-N 3.25Å; F237-L239 HydrophobicContact CD1-CD2 4.06Å; F237-L239 HydrophobicContact CE1-CD2 4.24Å; F237-R242 VanDerWaalsContact CE2-C 3.46Å; F237-R242 HydrophobicContact CZ-CB 3.91Å; F237-W244 HydrophobicContact CB-CD2 4.18Å; F237-W244 HydrophobicContact CB-CE3 3.85Å; F237-W244 HydrophobicContact CB-CH2 3.86Å; F237-W244 HydrophobicContact CB-CZ2 4.19Å; F237-W244 HydrophobicContact CB-CZ3 3.68Å; F237-W244 AromaticContact CD2-CD1 3.97Å; F237-W244 AromaticContact CD2-CD2 3.77Å; F237-W244 HydrophobicContact CD2-CD2 3.77Å; F237-W244 AromaticContact CD2-CE2 3.6Å; F237-W244 HydrophobicContact CD2-CE3 4.32Å; F237-W244 HydrophobicContact CD2-CG 4.04Å; F237-W244 HydrophobicContact CD2-CZ2 4.05Å; F237-W244 AromaticContact CD2-NE1 3.7Å; F237-W244 HydrophobicContact CG-CD2 4.46Å; F237-W244 HydrophobicContact CG-CZ2 4.36Å
238	D	95.4	Very high	96.2	Very high	29 Å²	29	54.2 Å²	54.2	16%	0.155	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	119.8	176.5	-169.9	-52.7	0	0	0	109.6	E240 T241 R242 Q243 K245	D238-E240 VanDerWaalsContact C-N 3.34Å; D238-E240 PolarHBondContact OD1-N 2.86Å; D238-T241 WeakPolarHBondContact CB-OG1 3.38Å; D238-T241 VanDerWaalsContact CG-OG1 3.3Å; D238-T241 PolarHBondContact OD1-N 3.14Å; D238-T241 PolarHBondContact OD1-OG1 2.82Å; D238-R242 WeakPolarHBondContact O-CA 3.33Å; D238-R242 PolarHBondContact O-N 2.75Å; D238-Q243 PolarHBondContact N-O 2.76Å; D238-K245 IonicContact OD2-NZ 3.9Å; D238-K245 PolarHBondContact OD2-NZ 3.15Å
239	L	95.1	Very high	96.2	Very high	22 Å²	22	54.4 Å²	54.4	12%	0.115	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-20.9	-174.1	-69.9	171.2	0	0	0	113.2	Y163 L192 N215 L217 F237	Y163-L239 HydrophobicContact CD1-CD2 4.09Å; Y163-L239 HydrophobicContact CE1-CD1 4.25Å; Y163-L239 HydrophobicContact CE1-CD2 3.51Å; L192-L239 HydrophobicContact CD1-CD2 4.04Å; N215-L239 WeakPolarHBondContact O-CB 3.27Å; N215-L239 PolarHBondContact O-N 2.86Å; L217-L239 HydrophobicContact CD1-CD2 4.01Å; L217-L239 HydrophobicContact CD2-CD1 4.09Å; L217-L239 HydrophobicContact CD2-CD2 4.29Å; L217-L239 HydrophobicContact CD2-CG 4.47Å; L217-L239 HydrophobicContact CG-CD1 4.39Å; L217-L239 HydrophobicContact CG-CD2 3.9Å; L217-L239 HydrophobicContact CG-CG 4.22Å; F237-L239 HydrophobicContact CD1-CD2 4.06Å; F237-L239 HydrophobicContact CE1-CD2 4.24Å
240	E	93.6	Very high	96.2	Very high	152 Å²	152	58.4 Å²	58.4	71%	0.71	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-52.8	176.9	171.8	173.1	-165	0	0	110.7	N215 D238 R242	N215-E240 WeakPolarHBondContact ND2-CB 2.94Å; N215-E240 PolarHBondContact ND2-OE2 3.45Å; D238-E240 VanDerWaalsContact C-N 3.34Å; D238-E240 PolarHBondContact OD1-N 2.86Å; E240-R242 VanDerWaalsContact C-N 3.28Å; E240-R242 PolarHBondContact O-N 2.8Å
241	T	93.2	Very high	96.2	Very high	70 Å²	70	53.5 Å²	53.5	43%	0.429	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.8	-180	73.3	0	0	0	0	112.7	D238 Q243	D238-T241 WeakPolarHBondContact CB-OG1 3.38Å; D238-T241 VanDerWaalsContact CG-OG1 3.3Å; D238-T241 PolarHBondContact OD1-N 3.14Å; D238-T241 PolarHBondContact OD1-OG1 2.82Å; T241-Q243 VanDerWaalsContact C-N 3.27Å; T241-Q243 WeakPolarHBondContact O-CG 3.25Å; T241-Q243 PolarHBondContact O-N 2.95Å
242	R	93.6	Very high	96.3	Very high	128 Å²	128	54.1 Å²	54.1	48%	0.483	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	40.6	-173.4	-56.4	-176.8	-177	-177.9	1.4	113	F237 D238 E240	F237-R242 VanDerWaalsContact CE2-C 3.46Å; F237-R242 HydrophobicContact CZ-CB 3.91Å; D238-R242 WeakPolarHBondContact O-CA 3.33Å; D238-R242 PolarHBondContact O-N 2.75Å; E240-R242 VanDerWaalsContact C-N 3.28Å; E240-R242 PolarHBondContact O-N 2.8Å
243	Q	93	Very high	96.2	Very high	71 Å²	71	58.6 Å²	58.6	33%	0.332	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.3	-177.4	-67.8	-64.1	-42.1	0	0	110.9	S197 D238 T241	S197-Q243 PolarHBondContact O-NE2 2.87Å; D238-Q243 PolarHBondContact N-O 2.76Å; T241-Q243 VanDerWaalsContact C-N 3.27Å; T241-Q243 WeakPolarHBondContact O-CG 3.25Å; T241-Q243 PolarHBondContact O-N 2.95Å
244	W	94.9	Very high	96.2	Very high	11 Å²	11	62.3 Å²	62.3	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	142.3	170.8	-71.1	99.8	0	0	0	110.6	I165 M175 V177 S193 P202 I219 P235 V236 F237	I165-W244 HydrophobicContact CG2-CH2 4.27Å; M175-W244 HydrophobicContact CE-CH2 3.36Å; M175-W244 HydrophobicContact CE-CZ2 3.8Å; M175-W244 HydrophobicContact CE-CZ3 4.11Å; M175-W244 WeakPolarHBondContact O-CZ2 3.41Å; V177-W244 HydrophobicContact CG2-CH2 4.08Å; V177-W244 HydrophobicContact CG2-CZ2 3.49Å; V177-W244 VanDerWaalsContact CG2-CZ2 3.49Å; S193-W244 PolarHBondContact OG-NE1 2.9Å; S193-W244 VanDerWaalsContact OG-NE1 3.11Å; P202-W244 VanDerWaalsContact CD-CD2 3.4Å; P202-W244 HydrophobicContact CG-CD2 3.94Å; P202-W244 HydrophobicContact CG-CE3 3.81Å; P202-W244 HydrophobicContact CG-CH2 4.14Å; P202-W244 HydrophobicContact CG-CZ2 4.24Å; P202-W244 HydrophobicContact CG-CZ3 3.92Å; I219-W244 HydrophobicContact CD1-CH2 4.41Å; I219-W244 HydrophobicContact CG1-CH2 3.9Å; I219-W244 HydrophobicContact CG1-CZ3 3.73Å; P235-W244 HydrophobicContact CB-CE3 4.09Å; P235-W244 HydrophobicContact CB-CZ3 3.95Å; V236-W244 CarbonylContact O-C 3.56Å; V236-W244 WeakPolarHBondContact O-CA 3.34Å; F237-W244 HydrophobicContact CB-CD2 4.18Å; F237-W244 HydrophobicContact CB-CE3 3.85Å; F237-W244 HydrophobicContact CB-CH2 3.86Å; F237-W244 HydrophobicContact CB-CZ2 4.19Å; F237-W244 HydrophobicContact CB-CZ3 3.68Å; F237-W244 AromaticContact CD2-CD1 3.97Å; F237-W244 AromaticContact CD2-CD2 3.77Å; F237-W244 HydrophobicContact CD2-CD2 3.77Å; F237-W244 AromaticContact CD2-CE2 3.6Å; F237-W244 HydrophobicContact CD2-CE3 4.32Å; F237-W244 HydrophobicContact CD2-CG 4.04Å; F237-W244 HydrophobicContact CD2-CZ2 4.05Å; F237-W244 AromaticContact CD2-NE1 3.7Å; F237-W244 HydrophobicContact CG-CD2 4.46Å; F237-W244 HydrophobicContact CG-CZ2 4.36Å
245	K	93.9	Very high	96.2	Very high	91 Å²	91	67.6 Å²	67.6	40%	0.396	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.6	174.2	-59	175	-175.3	166.1	0	108.8	E200 V236 D238	E200-K245 WeakPolarHBondContact OE2-CA 3.47Å; V236-K245 PolarHBondContact N-O 2.82Å; V236-K245 PolarHBondContact O-N 3.04Å; D238-K245 IonicContact OD2-NZ 3.9Å; D238-K245 PolarHBondContact OD2-NZ 3.15Å
246	K	95.9	Very high	96.3	Very high	117 Å²	117	68.1 Å²	68.1	51%	0.509	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.2	170.5	-71.7	170.2	-171.9	162.3	0	111.1	E200 P233	E200-K246 PolarHBondContact OE2-N 2.95Å; P233-K246 HydrophobicContact CB-CB 4.02Å; P233-K246 HydrophobicContact CB-CG 4.47Å; P233-K246 HydrophobicContact CG-CB 4.34Å; P233-K246 HydrophobicContact CG-CD 4.19Å; P233-K246 HydrophobicContact CG-CG 4.32Å
247	L	97.2	Very high	96.3	Very high	41 Å²	41	71.6 Å²	71.6	22%	0.215	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.8	169.6	175.1	65.2	0	0	0	110.1	Y218 P233 L234 V236 A249 F291	Y218-L247 HydrophobicContact CD1-CD2 4.01Å; Y218-L247 HydrophobicContact CE1-CD2 3.55Å; P233-L247 CarbonylContact C-O 3.54Å; P233-L247 VanDerWaalsContact CA-O 3.31Å; P233-L247 WeakPolarHBondContact CA-O 3.31Å; P233-L247 WeakPolarHBondContact CB-O 3.35Å; L234-L247 HydrophobicContact CB-CB 4.36Å; L234-L247 PolarHBondContact N-O 2.67Å; L234-L247 PolarHBondContact O-N 2.97Å; V236-L247 HydrophobicContact CG2-CB 3.68Å; V236-L247 HydrophobicContact CG2-CD2 4.25Å; L247-A249 PolarHBondContact O-N 2.93Å; L247-F291 HydrophobicContact CD2-CZ 4.27Å
248	S	97.9	Very high	96.4	Very high	92 Å²	92	71.8 Å²	71.8	64%	0.643	36%	0.364	S	S	*	.			trans	-82	108.5	166.9	-65.3	0	0	0	0	109.1
249	A	98.3	Very high	96.6	Very high	5 Å²	5	73.9 Å²	73.9	4%	0.041	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-80.2	155.2	179.6	0	0	0	0	0	111.9	N232 L247 Y257 F291 S296	N232-A249 PolarHBondContact OD1-N 3.44Å; L247-A249 PolarHBondContact O-N 2.93Å; A249-Y257 HydrophobicContact CB-CE1 4.39Å; A249-Y257 WeakPolarHBondContact O-CE1 3.19Å; A249-Y257 PolarHBondContact O-OH 2.83Å; A249-F291 HydrophobicContact CB-CE2 3.69Å; A249-F291 HydrophobicContact CB-CZ 4.31Å; A249-S296 CarbonylContact C-O 3.54Å; A249-S296 WeakPolarHBondContact CA-O 3.36Å
250	H	98.6	Very high	96.7	Very high	116 Å²	116	77 Å²	77	54%	0.537	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-75.4	132.8	167.7	-58.1	94.7	0	0	0	109.8	T295 S296 S297 W298	H250-T295 PolarHBondContact ND1-O 2.94Å; H250-S296 PolarHBondContact N-O 2.98Å; H250-S296 PolarHBondContact ND1-O 2.96Å; H250-S297 WeakPolarHBondContact O-CA 3.5Å; H250-W298 PolarHBondContact O-N 3.05Å
251	P	98.7	Very high	97	Very high	57 Å²	57	69.7 Å²	69.7	37%	0.37	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-73.2	163.5	178.3	30.1	-33.2	0	0	0	111.7	Y257	P251-Y257 HydrophobicContact CB-CD1 4.29Å; P251-Y257 HydrophobicContact CB-CD2 4.45Å; P251-Y257 HydrophobicContact CB-CE1 3.85Å; P251-Y257 HydrophobicContact CB-CE2 4.03Å
252	D	98.6	Very high	97.2	Very high	14 Å²	14	67.7 Å²	67.7	8%	0.075	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-63	132	158.4	-177.2	-77.3	0	0	0	109.1	I254 Y255 G256 W289 W298 S299 R300	D252-I254 PolarHBondContact O-N 3Å; D252-I254 VanDerWaalsContact O-N 3.14Å; D252-I254 PolarHBondContact OD1-N 2.88Å; D252-Y255 WeakPolarHBondContact OD1-CD2 3.2Å; D252-Y255 PolarHBondContact OD1-N 3.32Å; D252-G256 VanDerWaalsContact CB-O 3.29Å; D252-G256 WeakPolarHBondContact CB-O 3.19Å; D252-G256 PolarHBondContact N-O 2.91Å; D252-G256 WeakPolarHBondContact O-CA 3.38Å; D252-G256 PolarHBondContact O-N 3.03Å; D252-W289 HydrophobicContact CB-CZ3 3.85Å; D252-W298 WeakPolarHBondContact CA-O 3.45Å; D252-W298 PolarHBondContact N-O 2.76Å; D252-S299 VanDerWaalsContact OD2-CA 3.25Å; D252-S299 WeakPolarHBondContact OD2-CA 3.36Å; D252-R300 PolarHBondContact OD2-N 2.95Å
253	P	97.6	Very high	97.4	Very high	127 Å²	127	61.8 Å²	61.8	83%	0.825	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.9	-176	-25.7	34.4	0	0	0	115.1
254	I	97.6	Very high	97.6	Very high	138 Å²	138	58.5 Å²	58.5	71%	0.708	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-45.6	-175.8	-59.8	175.7	0	0	0	110.4	D252	D252-I254 PolarHBondContact O-N 3Å; D252-I254 VanDerWaalsContact O-N 3.14Å; D252-I254 PolarHBondContact OD1-N 2.88Å
255	Y	97.5	Very high	97.8	Very high	113 Å²	113	58 Å²	58	44%	0.443	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-5.4	-169.6	-59.3	-72.7	0	0	0	114.2	D252 R300	D252-Y255 WeakPolarHBondContact OD1-CD2 3.2Å; D252-Y255 PolarHBondContact OD1-N 3.32Å; Y255-R300 HydrophobicContact CD2-CB 3.59Å; Y255-R300 HydrophobicContact CD2-CG 4.25Å; Y255-R300 HydrophobicContact CE2-CB 4.27Å; Y255-R300 HydrophobicContact CG-CB 4.07Å; Y255-R300 HydrophobicContact CG-CG 4.49Å
256	G	98.1	Very high	98	Very high	23 Å²	23	55 Å²	55	24%	0.237	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	72.1	-127.6	-178.2	0	0	0	0	0	112.5	D252 W289	D252-G256 VanDerWaalsContact CB-O 3.29Å; D252-G256 WeakPolarHBondContact CB-O 3.19Å; D252-G256 PolarHBondContact N-O 2.91Å; D252-G256 WeakPolarHBondContact O-CA 3.38Å; D252-G256 PolarHBondContact O-N 3.03Å; G256-W289 WeakPolarHBondContact O-CZ3 3.37Å
257	Y	98.4	Very high	98.1	Very high	86 Å²	86	50 Å²	50	34%	0.337	27%	0.266	S	S	.	.	S	Bend	trans	-104.4	155.2	-179.5	-60.2	-74.7	0	0	0	111.6	N232 A249 P251 V259 W289 W298	N232-Y257 HydrophobicContact CB-CD1 3.61Å; N232-Y257 HydrophobicContact CB-CD2 4.31Å; N232-Y257 HydrophobicContact CB-CE1 3.69Å; N232-Y257 HydrophobicContact CB-CE2 4.38Å; N232-Y257 HydrophobicContact CB-CG 3.94Å; N232-Y257 VanDerWaalsContact CG-CE1 3.44Å; N232-Y257 PolarHBondContact ND2-OH 3.06Å; A249-Y257 HydrophobicContact CB-CE1 4.39Å; A249-Y257 WeakPolarHBondContact O-CE1 3.19Å; A249-Y257 PolarHBondContact O-OH 2.83Å; P251-Y257 HydrophobicContact CB-CD1 4.29Å; P251-Y257 HydrophobicContact CB-CD2 4.45Å; P251-Y257 HydrophobicContact CB-CE1 3.85Å; P251-Y257 HydrophobicContact CB-CE2 4.03Å; Y257-V259 PolarHBondContact O-N 2.81Å; Y257-W289 VanDerWaalsContact C-CH2 3.42Å; Y257-W298 AromaticContact CD1-CD1 3.61Å; Y257-W298 HydrophobicContact CD1-CG 4.37Å
258	P	98.4	Very high	98.1	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.032	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-54.8	135.3	165.1	-14.3	23	0	0	0	110.3	L231 L275 W289 W298	L231-P258 HydrophobicContact CB-CG 4.49Å; L231-P258 HydrophobicContact CD2-CB 4.23Å; L231-P258 HydrophobicContact CD2-CG 4.31Å; P258-L275 HydrophobicContact CG-CD2 4.4Å; P258-W289 HydrophobicContact CB-CD2 3.94Å; P258-W289 HydrophobicContact CB-CE3 4.43Å; P258-W289 HydrophobicContact CB-CG 4.11Å; P258-W289 HydrophobicContact CB-CZ2 4.37Å; P258-W289 HydrophobicContact CG-CB 4.26Å; P258-W289 HydrophobicContact CG-CD2 3.58Å; P258-W289 HydrophobicContact CG-CE3 3.68Å; P258-W289 HydrophobicContact CG-CG 3.85Å; P258-W289 HydrophobicContact CG-CZ3 4.19Å; P258-W298 HydrophobicContact CG-CD2 3.64Å; P258-W298 HydrophobicContact CG-CE3 3.42Å; P258-W298 VanDerWaalsContact CG-CE3 3.42Å; P258-W298 HydrophobicContact CG-CG 4.4Å; P258-W298 HydrophobicContact CG-CH2 3.96Å; P258-W298 HydrophobicContact CG-CZ2 4.13Å; P258-W298 HydrophobicContact CG-CZ3 3.61Å
259	V	98.1	Very high	98.1	Very high	73 Å²	73	48.5 Å²	48.5	44%	0.442	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-58.5	151.1	172.2	-62.6	0	0	0	0	110.7	Y257 R261 L285	Y257-V259 PolarHBondContact O-N 2.81Å; V259-R261 PolarHBondContact O-N 2.84Å; V259-R261 PolarHBondContact O-NE 3.14Å; V259-L285 HydrophobicContact CG2-CD1 3.9Å; V259-L285 HydrophobicContact CG2-CD2 4.03Å
260	R	98.5	Very high	98	Very high	86 Å²	86	55.4 Å²	55.4	33%	0.325	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-48	137.5	173.2	66.1	-171	-69.3	-142.5	6.2	110.5	S228 F229 K230 N280 E281	S228-R260 PolarHBondContact O-NE 2.58Å; S228-R260 PolarHBondContact O-NH2 3.38Å; F229-R260 VanDerWaalsContact O-CA 3.25Å; F229-R260 WeakPolarHBondContact O-CA 3.47Å; F229-R260 WeakPolarHBondContact O-CB 3.43Å; K230-R260 HydrophobicContact CG-CB 4.46Å; R260-N280 HydrophobicContact CG-CB 4.27Å; R260-N280 WeakPolarHBondContact O-CB 3.5Å; R260-E281 IonicContact CZ-OE1 3.01Å; R260-E281 IonicContact CZ-OE2 3.31Å; R260-E281 IonicContact NE-OE1 3.66Å; R260-E281 PolarHBondContact NE-OE1 3.37Å; R260-E281 IonicContact NE-OE2 3.97Å; R260-E281 PolarHBondContact NE-OE2 2.71Å; R260-E281 IonicContact NH1-OE1 2.89Å; R260-E281 PolarHBondContact NH1-OE1 3.01Å; R260-E281 IonicContact NH1-OE2 3.78Å; R260-E281 PolarHBondContact NH1-OE2 2.96Å; R260-E281 VanDerWaalsContact NH2-CD 3.3Å; R260-E281 IonicContact NH2-OE1 3.21Å; R260-E281 PolarHBondContact NH2-OE1 2.95Å; R260-E281 IonicContact NH2-OE2 3.94Å
261	R	98.3	Very high	97.9	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.			trans	-164.3	157	-176.6	60.2	-175.2	76.9	-155.6	3.3	112.9	G222 F229 L231 V259 F264 G277 I279 L285 D287	G222-R261 PolarHBondContact N-O 3.25Å; F229-R261 PolarHBondContact O-N 2.79Å; L231-R261 HydrophobicContact CD1-CG 3.79Å; V259-R261 PolarHBondContact O-N 2.84Å; V259-R261 PolarHBondContact O-NE 3.14Å; R261-F264 HydrophobicContact CB-CD1 4.23Å; R261-F264 HydrophobicContact CG-CD1 3.54Å; R261-F264 HydrophobicContact CG-CE1 3.91Å; R261-F264 HydrophobicContact CG-CG 4.29Å; R261-G277 PolarHBondContact NH1-O 2.78Å; R261-I279 WeakPolarHBondContact CA-O 3.48Å; R261-L285 HydrophobicContact CB-CD1 3.73Å; R261-D287 IonicContact CZ-OD1 3.79Å; R261-D287 IonicContact CZ-OD2 3.85Å; R261-D287 IonicContact NH1-OD1 3.02Å; R261-D287 PolarHBondContact NH1-OD1 2.85Å; R261-D287 IonicContact NH1-OD2 2.61Å; R261-D287 IonicContact NH2-OD1 2.67Å; R261-D287 PolarHBondContact NH2-OD1 2.88Å; R261-D287 IonicContact NH2-OD2 2.86Å; R261-D287 PolarHBondContact NH2-OD2 2.7Å
262	R	97.9	Very high	97.9	Very high	27 Å²	27	51.5 Å²	51.5	10%	0.102	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-131.6	168	167.6	65	-178.3	-178.1	-102	2.8	110.3	R207 T224 G225 S227 S228 F264 G278 I279	R207-R262 HydrophobicContact CB-CB 4.1Å; T224-R262 PolarHBondContact O-NH1 2.8Å; G225-R262 PolarHBondContact O-NH2 3.14Å; S227-R262 PolarHBondContact O-NH1 3.43Å; S228-R262 PolarHBondContact OG-NH1 3.03Å; S228-R262 VanDerWaalsContact OG-NH1 3.11Å; R262-F264 PolarHBondContact O-N 3.01Å; R262-F264 VanDerWaalsContact O-N 3.16Å; R262-G278 WeakPolarHBondContact O-CA 3.39Å; R262-I279 HydrophobicContact CG-CG2 3.62Å; R262-I279 PolarHBondContact N-O 2.85Å; R262-I279 PolarHBondContact O-N 2.77Å
263	A	97.7	Very high	97.9	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.033	25%	0.25	C	S	.	.	S	Bend	trans	53.2	37.8	173	0	0	0	0	0	114.2	R207 I279 A310 F311	R207-A263 HydrophobicContact CB-CB 4.22Å; R207-A263 HydrophobicContact CG-CB 4.42Å; R207-A263 PolarHBondContact O-N 3.41Å; R207-A263 VanDerWaalsContact O-N 3.09Å; A263-I279 HydrophobicContact CB-CG2 4.44Å; A263-A310 HydrophobicContact CB-CB 4.32Å; A263-A310 CarbonylContact O-C 3.54Å; A263-A310 WeakPolarHBondContact O-CA 3.34Å; A263-F311 HydrophobicContact CB-CD1 3.67Å; A263-F311 HydrophobicContact CB-CD2 3.89Å; A263-F311 HydrophobicContact CB-CE1 3.69Å; A263-F311 HydrophobicContact CB-CE2 3.89Å; A263-F311 HydrophobicContact CB-CG 3.78Å; A263-F311 HydrophobicContact CB-CZ 3.8Å; A263-F311 PolarHBondContact O-N 3.05Å
264	F	98.4	Very high	97.9	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	21%	0.213	C	C	.	.			trans	-90.3	161	174.5	49.9	-88.5	0	0	0	110.5	E209 F220 R261 R262 F266 L275 C276 G277	E209-F264 HydrophobicContact CB-CE2 3.9Å; E209-F264 HydrophobicContact CB-CZ 4.11Å; E209-F264 HydrophobicContact CG-CD2 4.34Å; E209-F264 HydrophobicContact CG-CE2 3.69Å; E209-F264 HydrophobicContact CG-CZ 3.97Å; F220-F264 HydrophobicContact CB-CZ 4.19Å; F220-F264 WeakPolarHBondContact O-CZ 3.47Å; R261-F264 HydrophobicContact CB-CD1 4.23Å; R261-F264 HydrophobicContact CG-CD1 3.54Å; R261-F264 HydrophobicContact CG-CE1 3.91Å; R261-F264 HydrophobicContact CG-CG 4.29Å; R262-F264 PolarHBondContact O-N 3.01Å; R262-F264 VanDerWaalsContact O-N 3.16Å; F264-F266 HydrophobicContact CD2-CB 4.1Å; F264-F266 HydrophobicContact CE2-CB 3.97Å; F264-F266 AromaticContact CE2-CD2 3.8Å; F264-F266 HydrophobicContact CE2-CD2 3.8Å; F264-F266 HydrophobicContact CE2-CG 4.3Å; F264-L275 HydrophobicContact CD2-CB 3.92Å; F264-L275 HydrophobicContact CE2-CB 4.28Å; F264-C276 WeakPolarHBondContact CB-O 3.39Å; F264-G277 WeakPolarHBondContact CB-O 3.32Å
265	G	98.3	Very high	98	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	136.8	169.1	0	0	0	0	0	109.6	L275 C276 H312	G265-L275 CarbonylContact O-C 3.53Å; G265-L275 WeakPolarHBondContact O-CA 3.18Å; G265-C276 PolarHBondContact N-O 2.91Å; G265-C276 PolarHBondContact O-N 3.44Å; G265-H312 VanDerWaalsContact CA-NE2 3.29Å; G265-H312 WeakPolarHBondContact CA-NE2 2.85Å; G265-H312 PolarHBondContact N-CE1 3.17Å; G265-H312 VanDerWaalsContact N-CE1 3.33Å; G265-H312 PolarHBondContact N-NE2 3.21Å
266	F	98.6	Very high	98	Very high	26 Å²	26	33.4 Å²	33.4	11%	0.114	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	129.1	-176.1	-179.5	-89.9	0	0	0	110.6	E209 A210 T211 F220 F264 V273 Y274	E209-F266 HydrophobicContact CB-CB 3.65Å; E209-F266 HydrophobicContact CB-CD1 3.63Å; E209-F266 HydrophobicContact CB-CD2 3.66Å; E209-F266 HydrophobicContact CB-CE1 4.08Å; E209-F266 HydrophobicContact CB-CE2 4.04Å; E209-F266 HydrophobicContact CB-CG 3.38Å; E209-F266 HydrophobicContact CB-CZ 4.26Å; E209-F266 HydrophobicContact CG-CB 3.49Å; E209-F266 VanDerWaalsContact CG-CB 3.49Å; E209-F266 HydrophobicContact CG-CD1 4.33Å; E209-F266 HydrophobicContact CG-CD2 4.38Å; E209-F266 HydrophobicContact CG-CG 3.87Å; A210-F266 WeakPolarHBondContact O-CE1 3.2Å; T211-F266 HydrophobicContact CG2-CZ 4.5Å; F220-F266 HydrophobicContact CB-CE2 3.91Å; F220-F266 HydrophobicContact CD1-CE2 4.4Å; F220-F266 AromaticContact CD2-CE2 3.44Å; F220-F266 HydrophobicContact CD2-CE2 3.44Å; F220-F266 VanDerWaalsContact CD2-CE2 3.44Å; F220-F266 AromaticContact CD2-CZ 3.6Å; F220-F266 HydrophobicContact CD2-CZ 3.6Å; F220-F266 HydrophobicContact CE2-CE2 4.02Å; F220-F266 AromaticContact CE2-CZ 3.94Å; F220-F266 HydrophobicContact CE2-CZ 3.94Å; F220-F266 AromaticContact CG-CE2 3.65Å; F220-F266 HydrophobicContact CG-CE2 3.65Å; F220-F266 HydrophobicContact CG-CZ 4.3Å; F264-F266 HydrophobicContact CD2-CB 4.1Å; F264-F266 HydrophobicContact CE2-CB 3.97Å; F264-F266 AromaticContact CE2-CD2 3.8Å; F264-F266 HydrophobicContact CE2-CD2 3.8Å; F264-F266 HydrophobicContact CE2-CG 4.3Å; F266-V273 HydrophobicContact CD2-CG1 3.65Å; F266-V273 HydrophobicContact CE1-CG1 4.24Å; F266-V273 HydrophobicContact CE2-CB 4.4Å; F266-V273 HydrophobicContact CE2-CG1 3.08Å; F266-V273 HydrophobicContact CG-CG1 4.47Å; F266-V273 HydrophobicContact CZ-CB 4.42Å; F266-V273 HydrophobicContact CZ-CG1 3.42Å; F266-V273 VanDerWaalsContact CZ-CG1 3.42Å; F266-V273 HydrophobicContact CZ-CG2 4.08Å; F266-Y274 WeakPolarHBondContact CA-O 3.48Å
267	V	98.3	Very high	98	Very high	12 Å²	12	32.3 Å²	32.3	7%	0.073	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	147.4	179.1	-65.2	0	0	0	0	110.6	V273 Y274 C314 I316 L322	V267-V273 CarbonylContact O-C 3.59Å; V267-V273 WeakPolarHBondContact O-CA 3.41Å; V267-Y274 HydrophobicContact CG2-CD2 4.28Å; V267-Y274 PolarHBondContact N-O 2.93Å; V267-Y274 PolarHBondContact O-N 3.47Å; V267-C314 HydrophobicContact CG1-CB 4.28Å; V267-I316 HydrophobicContact CB-CB 4.17Å; V267-I316 HydrophobicContact CB-CG2 3.77Å; V267-I316 HydrophobicContact CG1-CB 4.46Å; V267-I316 HydrophobicContact CG1-CG2 4.35Å; V267-I316 HydrophobicContact CG2-CB 4.03Å; V267-I316 HydrophobicContact CG2-CG2 4.04Å; V267-L322 HydrophobicContact CG2-CD1 3.66Å; V267-L322 HydrophobicContact CG2-CG 4.37Å
268	R	97.6	Very high	98	Very high	69 Å²	69	28.2 Å²	28.2	26%	0.26	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.9	170.6	179.9	173.4	173.2	-159.6	-5.7	109.9	T211 W212 K270 D271 V272 V273	T211-R268 WeakPolarHBondContact OG1-CD 3.31Å; W212-R268 VanDerWaalsContact CZ3-NH1 3.33Å; W212-R268 PolarHBondContact O-NH1 2.92Å; R268-K270 WeakPolarHBondContact CG-O 3.34Å; R268-K270 PolarHBondContact NE-O 3.07Å; R268-K270 PolarHBondContact NH2-O 2.93Å; R268-D271 IonicContact NH2-OD1 2.73Å; R268-D271 PolarHBondContact NH2-OD1 2.99Å; R268-V272 WeakPolarHBondContact CA-O 3.23Å; R268-V273 HydrophobicContact CB-CG2 4.33Å; R268-V273 HydrophobicContact CG-CG2 4.42Å
269	Y	97	Very high	98	Very high	33 Å²	33	28.4 Å²	28.4	13%	0.129	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	108.2	169.8	-173.9	-95.1	0	0	0	109	D271 V272 I316 E318 V346	Y269-D271 PolarHBondContact O-N 3.13Å; Y269-V272 PolarHBondContact N-O 2.89Å; Y269-V272 PolarHBondContact O-N 2.95Å; Y269-I316 HydrophobicContact CD2-CD1 3.98Å; Y269-I316 HydrophobicContact CD2-CG1 4.07Å; Y269-I316 HydrophobicContact CG-CD1 4.09Å; Y269-E318 VanDerWaalsContact CE2-O 3.31Å; Y269-E318 WeakPolarHBondContact CE2-O 3.4Å; Y269-E318 PolarHBondContact OH-O 2.83Å; Y269-V346 HydrophobicContact CD1-CG1 4.29Å; Y269-V346 HydrophobicContact CE1-CG1 3.86Å; Y269-V346 HydrophobicContact CE1-CG2 4.03Å
270	K	95.6	Very high	97.9	Very high	151 Å²	151	25.5 Å²	25.5	66%	0.657	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	-123.7	-171.8	-54.6	-178.3	-175.1	-178.4	0	110.1	R268 V272	R268-K270 WeakPolarHBondContact CG-O 3.34Å; R268-K270 PolarHBondContact NE-O 3.07Å; R268-K270 PolarHBondContact NH2-O 2.93Å; K270-V272 VanDerWaalsContact C-N 3.3Å; K270-V272 PolarHBondContact O-N 3.21Å
271	D	97	Very high	97.8	Very high	64 Å²	64	24.8 Å²	24.8	34%	0.342	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	15.8	-177.8	-58.9	-32.8	0	0	0	113.7	Y213 R268 Y269 L293	Y213-D271 HydrophobicContact CE2-CB 4.3Å; Y213-D271 WeakPolarHBondContact CE2-OD1 3.11Å; R268-D271 IonicContact NH2-OD1 2.73Å; R268-D271 PolarHBondContact NH2-OD1 2.99Å; Y269-D271 PolarHBondContact O-N 3.13Å; D271-L293 WeakPolarHBondContact O-CB 3.49Å; D271-L293 PolarHBondContact O-N 3.34Å
272	V	98.4	Very high	97.6	Very high	27 Å²	27	29.2 Å²	29.2	16%	0.164	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.7	178.8	-176.4	0	0	0	0	109.7	R268 Y269 K270 Y274 R290 F291	R268-V272 WeakPolarHBondContact CA-O 3.23Å; Y269-V272 PolarHBondContact N-O 2.89Å; Y269-V272 PolarHBondContact O-N 2.95Å; K270-V272 VanDerWaalsContact C-N 3.3Å; K270-V272 PolarHBondContact O-N 3.21Å; V272-Y274 HydrophobicContact CB-CE2 4.36Å; V272-Y274 HydrophobicContact CG1-CD1 4.44Å; V272-Y274 HydrophobicContact CG1-CD2 4.4Å; V272-Y274 HydrophobicContact CG1-CE1 3.96Å; V272-Y274 HydrophobicContact CG1-CE2 3.91Å; V272-R290 HydrophobicContact CG1-CB 3.77Å; V272-R290 HydrophobicContact CG1-CG 4.46Å; V272-F291 WeakPolarHBondContact CA-O 3.3Å
273	V	98.5	Very high	97.4	Very high	1 Å²	1	32 Å²	32	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.1	168.1	166.5	0	0	0	0	108.5	T211 F266 V267 R268 R290 F291 L293	T211-V273 HydrophobicContact CG2-CG2 3.7Å; F266-V273 HydrophobicContact CD2-CG1 3.65Å; F266-V273 HydrophobicContact CE1-CG1 4.24Å; F266-V273 HydrophobicContact CE2-CB 4.4Å; F266-V273 HydrophobicContact CE2-CG1 3.08Å; F266-V273 HydrophobicContact CG-CG1 4.47Å; F266-V273 HydrophobicContact CZ-CB 4.42Å; F266-V273 HydrophobicContact CZ-CG1 3.42Å; F266-V273 VanDerWaalsContact CZ-CG1 3.42Å; F266-V273 HydrophobicContact CZ-CG2 4.08Å; V267-V273 CarbonylContact O-C 3.59Å; V267-V273 WeakPolarHBondContact O-CA 3.41Å; R268-V273 HydrophobicContact CB-CG2 4.33Å; R268-V273 HydrophobicContact CG-CG2 4.42Å; V273-R290 CarbonylContact O-C 3.56Å; V273-R290 WeakPolarHBondContact O-CA 3.33Å; V273-F291 HydrophobicContact CB-CB 4.33Å; V273-F291 PolarHBondContact N-O 3.12Å; V273-F291 PolarHBondContact O-N 2.96Å; V273-L293 HydrophobicContact CG2-CD1 4.08Å; V273-L293 HydrophobicContact CG2-CD2 4.32Å; V273-L293 HydrophobicContact CG2-CG 4.27Å
274	Y	98.6	Very high	97.4	Very high	10 Å²	10	32.1 Å²	32.1	4%	0.039	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.9	170.5	-60.6	-80.4	0	0	0	109.9	F266 V267 V272 W289 R290 L301 I316 L322 M345	F266-Y274 WeakPolarHBondContact CA-O 3.48Å; V267-Y274 HydrophobicContact CG2-CD2 4.28Å; V267-Y274 PolarHBondContact N-O 2.93Å; V267-Y274 PolarHBondContact O-N 3.47Å; V272-Y274 HydrophobicContact CB-CE2 4.36Å; V272-Y274 HydrophobicContact CG1-CD1 4.44Å; V272-Y274 HydrophobicContact CG1-CD2 4.4Å; V272-Y274 HydrophobicContact CG1-CE1 3.96Å; V272-Y274 HydrophobicContact CG1-CE2 3.91Å; Y274-W289 WeakPolarHBondContact CA-O 3.4Å; Y274-R290 HydrophobicContact CD1-CB 3.67Å; Y274-R290 HydrophobicContact CE1-CB 3.7Å; Y274-L301 HydrophobicContact CD1-CD1 4.16Å; Y274-L301 HydrophobicContact CE1-CD1 4.14Å; Y274-I316 HydrophobicContact CD2-CD1 4.3Å; Y274-I316 HydrophobicContact CE2-CD1 4.28Å; Y274-L322 HydrophobicContact CG-CD1 4.38Å; Y274-M345 HydrophobicContact CD1-CE 3.34Å; Y274-M345 HydrophobicContact CE1-CB 4.29Å; Y274-M345 HydrophobicContact CE1-CE 3.33Å; Y274-M345 HydrophobicContact CE2-CB 3.99Å; Y274-M345 HydrophobicContact CE2-CG 4.29Å; Y274-M345 HydrophobicContact CG-CE 3.98Å
275	L	98.2	Very high	97.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	142.6	169.2	67.9	96.2	0	0	0	110.5	L231 P258 F264 G265 V288 W289 W298	L231-L275 HydrophobicContact CD2-CD2 3.72Å; P258-L275 HydrophobicContact CG-CD2 4.4Å; F264-L275 HydrophobicContact CD2-CB 3.92Å; F264-L275 HydrophobicContact CE2-CB 4.28Å; G265-L275 CarbonylContact O-C 3.53Å; G265-L275 WeakPolarHBondContact O-CA 3.18Å; L275-V288 WeakPolarHBondContact O-CA 3.45Å; L275-W289 HydrophobicContact CD1-CB 3.91Å; L275-W289 HydrophobicContact CD1-CG 4.14Å; L275-W289 HydrophobicContact CD2-CB 4.19Å; L275-W289 HydrophobicContact CG-CB 3.82Å; L275-W289 PolarHBondContact N-O 2.97Å; L275-W289 PolarHBondContact O-N 3.01Å; L275-W298 HydrophobicContact CD2-CE3 4.44Å; L275-W298 HydrophobicContact CD2-CH2 3.26Å; L275-W298 HydrophobicContact CD2-CZ3 3.21Å; L275-W298 HydrophobicContact CG-CZ3 4.31Å
276	C	98.2	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	138	-179.8	57	0	0	0	0	111.9	F264 G265 D287 V288 L305 H312	F264-C276 WeakPolarHBondContact CB-O 3.39Å; G265-C276 PolarHBondContact N-O 2.91Å; G265-C276 PolarHBondContact O-N 3.44Å; C276-D287 WeakPolarHBondContact CA-O 3.41Å; C276-V288 HydrophobicContact CB-CB 4.49Å; C276-V288 HydrophobicContact CB-CG1 4.27Å; C276-V288 HydrophobicContact CB-CG2 3.87Å; C276-L305 HydrophobicContact CB-CD1 3.95Å; C276-L305 HydrophobicContact CB-CD2 4.33Å; C276-L305 HydrophobicContact CB-CG 4.2Å; C276-H312 PolarHBondContact O-CE1 2.89Å; C276-H312 VanDerWaalsContact O-CE1 3.26Å; C276-H312 PolarHBondContact O-NE2 3.2Å
277	G	98.3	Very high	97.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.4	-143.2	178.9	0	0	0	0	0	113.9	R261 F264 L285 D287	R261-G277 PolarHBondContact NH1-O 2.78Å; F264-G277 WeakPolarHBondContact CB-O 3.32Å; G277-L285 WeakPolarHBondContact CA-O 3.5Å; G277-D287 PolarHBondContact N-O 2.9Å
278	G	98.3	Very high	97.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106.3	-175.2	-173.4	0	0	0	0	0	112.8	R262 L285 T309	R262-G278 WeakPolarHBondContact O-CA 3.39Å; G278-L285 WeakPolarHBondContact O-CB 3.29Å; G278-L285 PolarHBondContact O-N 3.02Å; G278-T309 PolarHBondContact N-O 3.49Å
279	I	97.9	Very high	97.4	Very high	9 Å²	9	29.6 Å²	29.6	5%	0.046	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.4	179.7	-167.7	167.4	0	0	0	110.3	R261 R262 A263 L284 A310 F311	R261-I279 WeakPolarHBondContact CA-O 3.48Å; R262-I279 HydrophobicContact CG-CG2 3.62Å; R262-I279 PolarHBondContact N-O 2.85Å; R262-I279 PolarHBondContact O-N 2.77Å; A263-I279 HydrophobicContact CB-CG2 4.44Å; I279-L284 HydrophobicContact CB-CD2 3.92Å; I279-L284 HydrophobicContact CD1-CD2 3.76Å; I279-L284 HydrophobicContact CG1-CD2 3.86Å; I279-A310 HydrophobicContact CB-CB 3.69Å; I279-A310 HydrophobicContact CG2-CB 3.96Å; I279-F311 HydrophobicContact CG2-CE2 4.42Å
280	N	97.3	Very high	97.4	Very high	12 Å²	12	33 Å²	33	6%	0.064	16%	0.162	C	C	.	.			trans	-128.2	-163.9	161.8	69.7	24.6	0	0	0	110.3	S228 R260 T282 N283	S228-N280 WeakPolarHBondContact OG-CA 3.38Å; R260-N280 HydrophobicContact CG-CB 4.27Å; R260-N280 WeakPolarHBondContact O-CB 3.5Å; N280-T282 PolarHBondContact O-N 2.84Å; N280-T282 PolarHBondContact OD1-N 2.91Å; N280-T282 PolarHBondContact OD1-OG1 3.16Å; N280-N283 PolarHBondContact N-O 3.35Å; N280-N283 PolarHBondContact OD1-N 2.87Å; N280-N283 PolarHBondContact OD1-O 3.3Å
281	E	95.4	Very high	97.6	Very high	71 Å²	71	25.8 Å²	25.8	33%	0.332	13%	0.131	S	C	.	.	S	Bend	trans	-69.4	-24.1	-173	-57.1	63.8	-144.1	0	0	111.5	S227 S228 R260	S227-E281 VanDerWaalsContact C-OE1 3.3Å; S227-E281 WeakPolarHBondContact CA-OE1 3.49Å; S228-E281 WeakPolarHBondContact CA-OE1 3.37Å; S228-E281 WeakPolarHBondContact CB-OE1 3.35Å; S228-E281 PolarHBondContact N-OE1 2.84Å; S228-E281 PolarHBondContact OG-OE1 2.68Å; R260-E281 IonicContact CZ-OE1 3.01Å; R260-E281 IonicContact CZ-OE2 3.31Å; R260-E281 IonicContact NE-OE1 3.66Å; R260-E281 PolarHBondContact NE-OE1 3.37Å; R260-E281 IonicContact NE-OE2 3.97Å; R260-E281 PolarHBondContact NE-OE2 2.71Å; R260-E281 IonicContact NH1-OE1 2.89Å; R260-E281 PolarHBondContact NH1-OE1 3.01Å; R260-E281 IonicContact NH1-OE2 3.78Å; R260-E281 PolarHBondContact NH1-OE2 2.96Å; R260-E281 VanDerWaalsContact NH2-CD 3.3Å; R260-E281 IonicContact NH2-OE1 3.21Å; R260-E281 PolarHBondContact NH2-OE1 2.95Å; R260-E281 IonicContact NH2-OE2 3.94Å
282	T	93.6	Very high	97.7	Very high	92 Å²	92	24.9 Å²	24.9	56%	0.564	13%	0.126	S	C	*	.	S	Bend	trans	-113.6	-38.6	-171.2	59.9	0	0	0	0	112.9	N280 H331	N280-T282 PolarHBondContact O-N 2.84Å; N280-T282 PolarHBondContact OD1-N 2.91Å; N280-T282 PolarHBondContact OD1-OG1 3.16Å; T282-H331 PolarHBondContact O-CE1 2.76Å; T282-H331 VanDerWaalsContact O-CE1 3.31Å; T282-H331 PolarHBondContact O-NE2 2.83Å; T282-H331 VanDerWaalsContact O-NE2 3.1Å
283	N	95.2	Very high	97.7	Very high	87 Å²	87	23.7 Å²	23.7	47%	0.465	12%	0.119	S	C	.	.			trans	-135.4	143.7	-168	-56.3	-50.2	0	0	0	113.1	N280 L285 H331	N280-N283 PolarHBondContact N-O 3.35Å; N280-N283 PolarHBondContact OD1-N 2.87Å; N280-N283 PolarHBondContact OD1-O 3.3Å; N283-L285 HydrophobicContact CB-CD2 4.27Å; N283-H331 WeakPolarHBondContact CA-CE1 3.42Å; N283-H331 WeakPolarHBondContact CA-NE2 3.39Å; N283-H331 PolarHBondContact N-CE1 3.31Å; N283-H331 PolarHBondContact N-NE2 3.27Å
284	L	97.8	Very high	97.7	Very high	6 Å²	6	30 Å²	30	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	148.1	150.4	-71.1	176.6	0	0	0	108.1	I279 E308 A310 I328 H331	I279-L284 HydrophobicContact CB-CD2 3.92Å; I279-L284 HydrophobicContact CD1-CD2 3.76Å; I279-L284 HydrophobicContact CG1-CD2 3.86Å; L284-E308 HydrophobicContact CB-CB 3.64Å; L284-A310 HydrophobicContact CD2-CB 3.73Å; L284-I328 HydrophobicContact CD2-CD1 4.33Å; L284-I328 HydrophobicContact CD2-CG1 4.27Å; L284-H331 PolarHBondContact N-CE1 3.41Å; L284-H331 PolarHBondContact N-NE2 3.25Å
285	L	98.2	Very high	97.6	Very high	17 Å²	17	32.7 Å²	32.7	9%	0.089	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	153.4	-172.7	-55.7	171.9	0	0	0	110	V259 R261 G277 G278 N283 E308 T309	V259-L285 HydrophobicContact CG2-CD1 3.9Å; V259-L285 HydrophobicContact CG2-CD2 4.03Å; R261-L285 HydrophobicContact CB-CD1 3.73Å; G277-L285 WeakPolarHBondContact CA-O 3.5Å; G278-L285 WeakPolarHBondContact O-CB 3.29Å; G278-L285 PolarHBondContact O-N 3.02Å; N283-L285 HydrophobicContact CB-CD2 4.27Å; L285-E308 WeakPolarHBondContact O-CA 3.3Å; L285-T309 PolarHBondContact O-N 2.99Å; L285-T309 VanDerWaalsContact O-N 3.08Å
286	N	97.4	Very high	97.6	Very high	27 Å²	27	33.6 Å²	33.6	14%	0.144	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	4.6	173.9	62.1	10.6	0	0	0	113.2	R304 L305 E308	N286-R304 CarbonylContact O-C 3.58Å; N286-R304 WeakPolarHBondContact O-CA 3.37Å; N286-R304 WeakPolarHBondContact O-CB 3.39Å; N286-R304 PolarHBondContact OD1-NH1 3.26Å; N286-L305 HydrophobicContact CB-CB 4.12Å; N286-L305 PolarHBondContact O-N 3.33Å; N286-E308 HydrophobicContact CB-CG 3.94Å
287	D	97.7	Very high	97.7	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.048	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	155.1	178.9	61.4	-25.1	0	0	0	111.6	R261 C276 G277 W289	R261-D287 IonicContact CZ-OD1 3.79Å; R261-D287 IonicContact CZ-OD2 3.85Å; R261-D287 IonicContact NH1-OD1 3.02Å; R261-D287 PolarHBondContact NH1-OD1 2.85Å; R261-D287 IonicContact NH1-OD2 2.61Å; R261-D287 IonicContact NH2-OD1 2.67Å; R261-D287 PolarHBondContact NH2-OD1 2.88Å; R261-D287 IonicContact NH2-OD2 2.86Å; R261-D287 PolarHBondContact NH2-OD2 2.7Å; C276-D287 WeakPolarHBondContact CA-O 3.41Å; G277-D287 PolarHBondContact N-O 2.9Å; D287-W289 PolarHBondContact OD2-NE1 3.42Å
288	V	98.2	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.1	179.3	-171.5	0	0	0	0	109.8	F11 L275 C276 L301 L305	F11-V288 HydrophobicContact CE2-CG2 3.77Å; F11-V288 HydrophobicContact CZ-CG2 4.11Å; L275-V288 WeakPolarHBondContact O-CA 3.45Å; C276-V288 HydrophobicContact CB-CB 4.49Å; C276-V288 HydrophobicContact CB-CG1 4.27Å; C276-V288 HydrophobicContact CB-CG2 3.87Å; V288-L301 HydrophobicContact CB-CB 4.47Å; V288-L301 HydrophobicContact CG1-CD1 3.85Å; V288-L301 HydrophobicContact CG1-CG 4.48Å; V288-L301 PolarHBondContact O-N 3.21Å; V288-L305 HydrophobicContact CG2-CG 4.47Å
289	W	98.5	Very high	97.7	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	157.3	178.5	-62.8	74.1	0	0	0	110.6	D252 G256 Y257 P258 Y274 L275 D287 W298 S299 R300	D252-W289 HydrophobicContact CB-CZ3 3.85Å; G256-W289 WeakPolarHBondContact O-CZ3 3.37Å; Y257-W289 VanDerWaalsContact C-CH2 3.42Å; P258-W289 HydrophobicContact CB-CD2 3.94Å; P258-W289 HydrophobicContact CB-CE3 4.43Å; P258-W289 HydrophobicContact CB-CG 4.11Å; P258-W289 HydrophobicContact CB-CZ2 4.37Å; P258-W289 HydrophobicContact CG-CB 4.26Å; P258-W289 HydrophobicContact CG-CD2 3.58Å; P258-W289 HydrophobicContact CG-CE3 3.68Å; P258-W289 HydrophobicContact CG-CG 3.85Å; P258-W289 HydrophobicContact CG-CZ3 4.19Å; Y274-W289 WeakPolarHBondContact CA-O 3.4Å; L275-W289 HydrophobicContact CD1-CB 3.91Å; L275-W289 HydrophobicContact CD1-CG 4.14Å; L275-W289 HydrophobicContact CD2-CB 4.19Å; L275-W289 HydrophobicContact CG-CB 3.82Å; L275-W289 PolarHBondContact N-O 2.97Å; L275-W289 PolarHBondContact O-N 3.01Å; D287-W289 PolarHBondContact OD2-NE1 3.42Å; W289-W298 HydrophobicContact CB-CE3 4.17Å; W289-W298 HydrophobicContact CB-CZ3 4.12Å; W289-W298 HydrophobicContact CE3-CB 4.44Å; W289-W298 HydrophobicContact CE3-CE3 4.31Å; W289-W298 HydrophobicContact CZ3-CB 4.49Å; W289-S299 WeakPolarHBondContact CA-O 3.15Å; W289-R300 HydrophobicContact CD2-CB 3.91Å; W289-R300 HydrophobicContact CD2-CG 3.96Å; W289-R300 HydrophobicContact CE3-CB 3.78Å; W289-R300 HydrophobicContact CE3-CG 4.35Å; W289-R300 HydrophobicContact CG-CG 4.48Å; W289-R300 HydrophobicContact CH2-CB 3.91Å; W289-R300 HydrophobicContact CH2-CG 4.31Å; W289-R300 HydrophobicContact CZ2-CB 4.02Å; W289-R300 HydrophobicContact CZ2-CG 3.89Å; W289-R300 HydrophobicContact CZ3-CB 3.79Å
290	R	98.2	Very high	97.7	Very high	105 Å²	105	39 Å²	39	40%	0.396	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	149.2	164.9	70.5	172.4	-175.3	-169.6	0.6	111.1	V272 V273 Y274 S299 L301	V272-R290 HydrophobicContact CG1-CB 3.77Å; V272-R290 HydrophobicContact CG1-CG 4.46Å; V273-R290 CarbonylContact O-C 3.56Å; V273-R290 WeakPolarHBondContact O-CA 3.33Å; Y274-R290 HydrophobicContact CD1-CB 3.67Å; Y274-R290 HydrophobicContact CE1-CB 3.7Å; R290-S299 PolarHBondContact N-O 3.39Å; R290-S299 PolarHBondContact O-N 3.18Å; R290-L301 HydrophobicContact CG-CD2 4.12Å
291	F	98.8	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.9	169.7	-173.5	-100	0	0	0	108.8	F220 L234 L247 A249 V272 V273 L293 S296 S297 W298	F220-F291 HydrophobicContact CE1-CB 4.16Å; F220-F291 AromaticContact CE1-CD1 3.99Å; F220-F291 HydrophobicContact CE1-CD1 3.99Å; F220-F291 HydrophobicContact CE1-CD2 4.42Å; F220-F291 HydrophobicContact CE1-CE1 4.48Å; F220-F291 AromaticContact CE1-CG 3.93Å; F220-F291 HydrophobicContact CE1-CG 3.93Å; F220-F291 AromaticContact CZ-CD1 3.83Å; F220-F291 HydrophobicContact CZ-CD1 3.83Å; F220-F291 HydrophobicContact CZ-CE1 4.24Å; F220-F291 HydrophobicContact CZ-CG 4.24Å; L234-F291 HydrophobicContact CD1-CD2 4.4Å; L234-F291 HydrophobicContact CD1-CE1 4.13Å; L234-F291 HydrophobicContact CD1-CE2 3.77Å; L234-F291 HydrophobicContact CD1-CZ 3.59Å; L247-F291 HydrophobicContact CD2-CZ 4.27Å; A249-F291 HydrophobicContact CB-CE2 3.69Å; A249-F291 HydrophobicContact CB-CZ 4.31Å; V272-F291 WeakPolarHBondContact CA-O 3.3Å; V273-F291 HydrophobicContact CB-CB 4.33Å; V273-F291 PolarHBondContact N-O 3.12Å; V273-F291 PolarHBondContact O-N 2.96Å; F291-L293 HydrophobicContact CD1-CD2 4Å; F291-L293 HydrophobicContact CD1-CG 4.39Å; F291-L293 HydrophobicContact CE1-CD2 4.09Å; F291-S296 VanDerWaalsContact CZ-CA 3.48Å; F291-S297 WeakPolarHBondContact CA-O 3.3Å; F291-W298 HydrophobicContact CB-CD2 4.36Å; F291-W298 HydrophobicContact CB-CE3 3.96Å; F291-W298 HydrophobicContact CB-CH2 3.89Å; F291-W298 HydrophobicContact CB-CZ2 4.31Å; F291-W298 HydrophobicContact CB-CZ3 3.7Å; F291-W298 AromaticContact CD2-CD1 3.9Å; F291-W298 AromaticContact CD2-CD2 3.61Å; F291-W298 HydrophobicContact CD2-CD2 3.61Å; F291-W298 AromaticContact CD2-CE2 3.44Å; F291-W298 VanDerWaalsContact CD2-CE2 3.44Å; F291-W298 HydrophobicContact CD2-CE3 4.09Å; F291-W298 AromaticContact CD2-CG 3.93Å; F291-W298 HydrophobicContact CD2-CG 3.93Å; F291-W298 HydrophobicContact CD2-CH2 4.23Å; F291-W298 AromaticContact CD2-CZ2 3.8Å; F291-W298 HydrophobicContact CD2-CZ2 3.8Å; F291-W298 HydrophobicContact CD2-CZ3 4.35Å; F291-W298 AromaticContact CD2-NE1 3.65Å; F291-W298 HydrophobicContact CE2-CD2 4.43Å; F291-W298 HydrophobicContact CE2-CG 4.45Å; F291-W298 HydrophobicContact CE2-CZ2 4.46Å; F291-W298 AromaticContact CE2-NE1 3.75Å; F291-W298 HydrophobicContact CG-CD2 4.46Å; F291-W298 HydrophobicContact CG-CH2 4.35Å; F291-W298 HydrophobicContact CG-CZ2 4.29Å; F291-W298 HydrophobicContact CG-CZ3 4.47Å
292	N	98.6	Very high	97.5	Very high	45 Å²	45	44.4 Å²	44.4	24%	0.241	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.8	172.9	-179.3	-33.9	0	0	0	108.6	Q294 T295 S296 S297	N292-Q294 VanDerWaalsContact C-N 3.3Å; N292-Q294 PolarHBondContact O-N 3.32Å; N292-Q294 WeakPolarHBondContact OD1-CA 3.35Å; N292-Q294 VanDerWaalsContact OD1-CB 3.31Å; N292-Q294 WeakPolarHBondContact OD1-CB 3.25Å; N292-Q294 PolarHBondContact OD1-N 3.15Å; N292-T295 VanDerWaalsContact CB-OG1 3.25Å; N292-T295 WeakPolarHBondContact CB-OG1 3.46Å; N292-T295 PolarHBondContact OD1-N 2.82Å; N292-T295 VanDerWaalsContact OD1-N 3.09Å; N292-T295 PolarHBondContact OD1-OG1 2.97Å; N292-S296 VanDerWaalsContact O-CA 3.22Å; N292-S296 WeakPolarHBondContact O-CA 3.1Å; N292-S296 PolarHBondContact O-N 2.86Å; N292-S297 PolarHBondContact N-O 3.09Å; N292-S297 PolarHBondContact O-N 3.16Å
293	L	98.5	Very high	97.4	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-28.9	-177.6	-68.4	163.6	0	0	0	112.5	T211 Y213 Y218 D271 V273 F291	T211-L293 HydrophobicContact CG2-CD1 4.1Å; T211-L293 HydrophobicContact CG2-CD2 3.93Å; Y213-L293 HydrophobicContact CD1-CB 3.83Å; Y213-L293 HydrophobicContact CD2-CB 3.82Å; Y213-L293 HydrophobicContact CD2-CD1 3.88Å; Y213-L293 HydrophobicContact CD2-CG 4.41Å; Y213-L293 HydrophobicContact CE1-CB 3.95Å; Y213-L293 VanDerWaalsContact CE1-O 3.3Å; Y213-L293 WeakPolarHBondContact CE1-O 3.37Å; Y213-L293 HydrophobicContact CE2-CB 3.96Å; Y213-L293 HydrophobicContact CG-CB 3.76Å; Y213-L293 HydrophobicContact CG-CD1 4.07Å; Y213-L293 HydrophobicContact CG-CD2 4.4Å; Y213-L293 HydrophobicContact CG-CG 4.3Å; Y218-L293 HydrophobicContact CD1-CD2 4.32Å; Y218-L293 HydrophobicContact CG-CD2 4.29Å; D271-L293 WeakPolarHBondContact O-CB 3.49Å; D271-L293 PolarHBondContact O-N 3.34Å; V273-L293 HydrophobicContact CG2-CD1 4.08Å; V273-L293 HydrophobicContact CG2-CD2 4.32Å; V273-L293 HydrophobicContact CG2-CG 4.27Å; F291-L293 HydrophobicContact CD1-CD2 4Å; F291-L293 HydrophobicContact CD1-CG 4.39Å; F291-L293 HydrophobicContact CE1-CD2 4.09Å
294	Q	97.8	Very high	97.4	Very high	133 Å²	133	43.7 Å²	43.7	62%	0.621	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-44.2	179.2	-171.8	-180	6.2	0	0	111.8	Y213 N292	Y213-Q294 WeakPolarHBondContact OH-CA 3.46Å; N292-Q294 VanDerWaalsContact C-N 3.3Å; N292-Q294 PolarHBondContact O-N 3.32Å; N292-Q294 WeakPolarHBondContact OD1-CA 3.35Å; N292-Q294 VanDerWaalsContact OD1-CB 3.31Å; N292-Q294 WeakPolarHBondContact OD1-CB 3.25Å; N292-Q294 PolarHBondContact OD1-N 3.15Å
295	T	98.1	Very high	97.3	Very high	67 Å²	67	43.5 Å²	43.5	41%	0.411	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-5.1	-177.8	58.1	0	0	0	0	113.4	H250 N292 S297	H250-T295 PolarHBondContact ND1-O 2.94Å; N292-T295 VanDerWaalsContact CB-OG1 3.25Å; N292-T295 WeakPolarHBondContact CB-OG1 3.46Å; N292-T295 PolarHBondContact OD1-N 2.82Å; N292-T295 VanDerWaalsContact OD1-N 3.09Å; N292-T295 PolarHBondContact OD1-OG1 2.97Å; T295-S297 VanDerWaalsContact C-N 3.27Å; T295-S297 PolarHBondContact O-N 3.04Å; T295-S297 PolarHBondContact OG1-OG 2.73Å
296	S	98.3	Very high	97.1	Very high	19 Å²	19	46 Å²	46	13%	0.133	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	45.2	-174.6	-61.5	0	0	0	0	112.8	A249 H250 F291 N292	A249-S296 CarbonylContact C-O 3.54Å; A249-S296 WeakPolarHBondContact CA-O 3.36Å; H250-S296 PolarHBondContact N-O 2.98Å; H250-S296 PolarHBondContact ND1-O 2.96Å; F291-S296 VanDerWaalsContact CZ-CA 3.48Å; N292-S296 VanDerWaalsContact O-CA 3.22Å; N292-S296 WeakPolarHBondContact O-CA 3.1Å; N292-S296 PolarHBondContact O-N 2.86Å
297	S	98.6	Very high	97	Very high	28 Å²	28	46.5 Å²	46.5	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136	-172.4	65.2	0	0	0	0	112.9	H250 F291 N292 T295	H250-S297 WeakPolarHBondContact O-CA 3.5Å; F291-S297 WeakPolarHBondContact CA-O 3.3Å; N292-S297 PolarHBondContact N-O 3.09Å; N292-S297 PolarHBondContact O-N 3.16Å; T295-S297 VanDerWaalsContact C-N 3.27Å; T295-S297 PolarHBondContact O-N 3.04Å; T295-S297 PolarHBondContact OG1-OG 2.73Å
298	W	98.8	Very high	97	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.011	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	145.4	171.2	-74.4	102.5	0	0	0	111.8	F220 L231 L234 H250 D252 Y257 P258 L275 W289 F291	F220-W298 AromaticContact CD1-CH2 3.63Å; F220-W298 HydrophobicContact CD1-CH2 3.63Å; F220-W298 AromaticContact CD1-CZ2 3.71Å; F220-W298 HydrophobicContact CD1-CZ2 3.71Å; F220-W298 AromaticContact CE1-CH2 3.72Å; F220-W298 HydrophobicContact CE1-CH2 3.72Å; F220-W298 AromaticContact CE1-CZ2 3.7Å; F220-W298 HydrophobicContact CE1-CZ2 3.7Å; L231-W298 HydrophobicContact CB-CZ2 4.01Å; L231-W298 HydrophobicContact CD2-CH2 3.79Å; L231-W298 HydrophobicContact CD2-CZ2 3.95Å; L234-W298 HydrophobicContact CD1-CZ2 4.45Å; L234-W298 HydrophobicContact CD2-CZ2 4.32Å; H250-W298 PolarHBondContact O-N 3.05Å; D252-W298 WeakPolarHBondContact CA-O 3.45Å; D252-W298 PolarHBondContact N-O 2.76Å; Y257-W298 AromaticContact CD1-CD1 3.61Å; Y257-W298 HydrophobicContact CD1-CG 4.37Å; P258-W298 HydrophobicContact CG-CD2 3.64Å; P258-W298 HydrophobicContact CG-CE3 3.42Å; P258-W298 VanDerWaalsContact CG-CE3 3.42Å; P258-W298 HydrophobicContact CG-CG 4.4Å; P258-W298 HydrophobicContact CG-CH2 3.96Å; P258-W298 HydrophobicContact CG-CZ2 4.13Å; P258-W298 HydrophobicContact CG-CZ3 3.61Å; L275-W298 HydrophobicContact CD2-CE3 4.44Å; L275-W298 HydrophobicContact CD2-CH2 3.26Å; L275-W298 HydrophobicContact CD2-CZ3 3.21Å; L275-W298 HydrophobicContact CG-CZ3 4.31Å; W289-W298 HydrophobicContact CB-CE3 4.17Å; W289-W298 HydrophobicContact CB-CZ3 4.12Å; W289-W298 HydrophobicContact CE3-CB 4.44Å; W289-W298 HydrophobicContact CE3-CE3 4.31Å; W289-W298 HydrophobicContact CZ3-CB 4.49Å; F291-W298 HydrophobicContact CB-CD2 4.36Å; F291-W298 HydrophobicContact CB-CE3 3.96Å; F291-W298 HydrophobicContact CB-CH2 3.89Å; F291-W298 HydrophobicContact CB-CZ2 4.31Å; F291-W298 HydrophobicContact CB-CZ3 3.7Å; F291-W298 AromaticContact CD2-CD1 3.9Å; F291-W298 AromaticContact CD2-CD2 3.61Å; F291-W298 HydrophobicContact CD2-CD2 3.61Å; F291-W298 AromaticContact CD2-CE2 3.44Å; F291-W298 VanDerWaalsContact CD2-CE2 3.44Å; F291-W298 HydrophobicContact CD2-CE3 4.09Å; F291-W298 AromaticContact CD2-CG 3.93Å; F291-W298 HydrophobicContact CD2-CG 3.93Å; F291-W298 HydrophobicContact CD2-CH2 4.23Å; F291-W298 AromaticContact CD2-CZ2 3.8Å; F291-W298 HydrophobicContact CD2-CZ2 3.8Å; F291-W298 HydrophobicContact CD2-CZ3 4.35Å; F291-W298 AromaticContact CD2-NE1 3.65Å; F291-W298 HydrophobicContact CE2-CD2 4.43Å; F291-W298 HydrophobicContact CE2-CG 4.45Å; F291-W298 HydrophobicContact CE2-CZ2 4.46Å; F291-W298 AromaticContact CE2-NE1 3.75Å; F291-W298 HydrophobicContact CG-CD2 4.46Å; F291-W298 HydrophobicContact CG-CH2 4.35Å; F291-W298 HydrophobicContact CG-CZ2 4.29Å; F291-W298 HydrophobicContact CG-CZ3 4.47Å
299	S	98.3	Very high	96.9	Very high	28 Å²	28	50.9 Å²	50.9	20%	0.196	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	133.7	163.1	-45	0	0	0	0	110	D252 W289 R290	D252-S299 VanDerWaalsContact OD2-CA 3.25Å; D252-S299 WeakPolarHBondContact OD2-CA 3.36Å; W289-S299 WeakPolarHBondContact CA-O 3.15Å; R290-S299 PolarHBondContact N-O 3.39Å; R290-S299 PolarHBondContact O-N 3.18Å
300	R	97.8	Very high	96.9	Very high	65 Å²	65	50.7 Å²	50.7	25%	0.245	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.9	171.2	-164.8	176.6	-175.4	173.6	2.9	108.8	D252 Y255 W289	D252-R300 PolarHBondContact OD2-N 2.95Å; Y255-R300 HydrophobicContact CD2-CB 3.59Å; Y255-R300 HydrophobicContact CD2-CG 4.25Å; Y255-R300 HydrophobicContact CE2-CB 4.27Å; Y255-R300 HydrophobicContact CG-CB 4.07Å; Y255-R300 HydrophobicContact CG-CG 4.49Å; W289-R300 HydrophobicContact CD2-CB 3.91Å; W289-R300 HydrophobicContact CD2-CG 3.96Å; W289-R300 HydrophobicContact CE3-CB 3.78Å; W289-R300 HydrophobicContact CE3-CG 4.35Å; W289-R300 HydrophobicContact CG-CG 4.48Å; W289-R300 HydrophobicContact CH2-CB 3.91Å; W289-R300 HydrophobicContact CH2-CG 4.31Å; W289-R300 HydrophobicContact CZ2-CB 4.02Å; W289-R300 HydrophobicContact CZ2-CG 3.89Å; W289-R300 HydrophobicContact CZ3-CB 3.79Å
301	L	96	Very high	96.9	Very high	33 Å²	33	47.8 Å²	47.8	17%	0.173	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	144	174.4	-59.6	-174.6	0	0	0	109.5	Y274 V288 R290 C303 M345	Y274-L301 HydrophobicContact CD1-CD1 4.16Å; Y274-L301 HydrophobicContact CE1-CD1 4.14Å; V288-L301 HydrophobicContact CB-CB 4.47Å; V288-L301 HydrophobicContact CG1-CD1 3.85Å; V288-L301 HydrophobicContact CG1-CG 4.48Å; V288-L301 PolarHBondContact O-N 3.21Å; R290-L301 HydrophobicContact CG-CD2 4.12Å; L301-C303 VanDerWaalsContact CB-SG 3.6Å; L301-C303 PolarHBondContact O-N 2.97Å; L301-M345 HydrophobicContact CD1-CE 3.34Å
302	K	92.8	Very high	96.9	Very high	162 Å²	162	48 Å²	48	70%	0.704	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	64.7	170.2	-64.9	-176.9	179.6	-174.3	0	109.2
303	C	92.6	Very high	96.8	Very high	18 Å²	18	46 Å²	46	12%	0.122	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	165.4	174.9	65	0	0	0	0	111.2	L301 R343	L301-C303 VanDerWaalsContact CB-SG 3.6Å; L301-C303 PolarHBondContact O-N 2.97Å; C303-R343 PolarHBondContact SG-NH1 2.81Å; C303-R343 VanDerWaalsContact SG-NH1 3.37Å
304	R	94.9	Very high	96.8	Very high	146 Å²	146	46.5 Å²	46.5	55%	0.551	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141.1	153.6	175.7	-61.7	-176.6	-178	-144.4	9.6	110	F11 N286	F11-R304 VanDerWaalsContact CD2-O 3.23Å; F11-R304 WeakPolarHBondContact CD2-O 3.38Å; N286-R304 CarbonylContact O-C 3.58Å; N286-R304 WeakPolarHBondContact O-CA 3.37Å; N286-R304 WeakPolarHBondContact O-CB 3.39Å; N286-R304 PolarHBondContact OD1-NH1 3.26Å
305	L	96.1	Very high	96.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	20%	0.198	C	C	.	.			trans	-60.5	145.2	162.6	-64	175.7	0	0	0	109	F11 C276 N286 V288 Y307 T309 V324 V341	F11-L305 HydrophobicContact CD1-CD2 4.07Å; F11-L305 HydrophobicContact CD2-CD2 4.44Å; F11-L305 HydrophobicContact CE1-CD2 3.72Å; F11-L305 HydrophobicContact CE2-CD2 4.13Å; F11-L305 HydrophobicContact CG-CD2 4.41Å; F11-L305 HydrophobicContact CZ-CD2 3.75Å; C276-L305 HydrophobicContact CB-CD1 3.95Å; C276-L305 HydrophobicContact CB-CD2 4.33Å; C276-L305 HydrophobicContact CB-CG 4.2Å; N286-L305 HydrophobicContact CB-CB 4.12Å; N286-L305 PolarHBondContact O-N 3.33Å; V288-L305 HydrophobicContact CG2-CG 4.47Å; L305-Y307 WeakPolarHBondContact CB-O 3.33Å; L305-Y307 PolarHBondContact O-N 2.92Å; L305-Y307 VanDerWaalsContact O-N 3.09Å; L305-T309 HydrophobicContact CD1-CG2 3.93Å; L305-V324 HydrophobicContact CD2-CB 4.32Å; L305-V324 HydrophobicContact CD2-CG2 3.96Å; L305-V341 HydrophobicContact CD2-CG2 4.08Å
306	P	94	Very high	96.8	Very high	69 Å²	69	37.7 Å²	37.7	45%	0.448	18%	0.182	S	C	.	.	S	Bend	trans	-64.8	-12.8	-179.9	-23.9	36.2	0	0	0	114.5	F11 V13 V341	F11-P306 HydrophobicContact CB-CG 4.01Å; V13-P306 HydrophobicContact CG2-CB 4.37Å; V13-P306 HydrophobicContact CG2-CG 4.13Å; P306-V341 HydrophobicContact CG-CG1 3.86Å
307	Y	93.9	Very high	96.6	Very high	39 Å²	39	36.8 Å²	36.8	15%	0.153	18%	0.176	C	C	.	.	S	Bend	trans	-145.8	153.9	178.4	53.6	-86.1	0	0	0	109.7	L305 T309 T329 T337 C339 V341	L305-Y307 WeakPolarHBondContact CB-O 3.33Å; L305-Y307 PolarHBondContact O-N 2.92Å; L305-Y307 VanDerWaalsContact O-N 3.09Å; Y307-T309 HydrophobicContact CD2-CG2 3.9Å; Y307-T309 HydrophobicContact CE2-CG2 3.57Å; Y307-T329 HydrophobicContact CD2-CG2 4.18Å; Y307-T337 HydrophobicContact CD2-CG2 4.47Å; Y307-T337 HydrophobicContact CE2-CG2 3.77Å; Y307-C339 HydrophobicContact CD1-CB 4.47Å; Y307-C339 HydrophobicContact CE1-CB 3.69Å; Y307-C339 VanDerWaalsContact CE1-SG 3.53Å; Y307-C339 PolarHBondContact OH-O 2.93Å; Y307-V341 HydrophobicContact CE1-CG1 3.94Å
308	E	97.2	Very high	96.3	Very high	100 Å²	100	41 Å²	41	47%	0.467	19%	0.192	S	C	.	.			trans	-77.5	133.2	172.8	-62.1	175.9	160	0	0	109.7	L284 L285 N286	L284-E308 HydrophobicContact CB-CB 3.64Å; L285-E308 WeakPolarHBondContact O-CA 3.3Å; N286-E308 HydrophobicContact CB-CG 3.94Å
309	T	98.1	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.			trans	-157.9	153.4	-174.6	-172.5	0	0	0	0	114.3	G278 L285 L305 Y307 H312 I328	G278-T309 PolarHBondContact N-O 3.49Å; L285-T309 PolarHBondContact O-N 2.99Å; L285-T309 VanDerWaalsContact O-N 3.08Å; L305-T309 HydrophobicContact CD1-CG2 3.93Å; Y307-T309 HydrophobicContact CD2-CG2 3.9Å; Y307-T309 HydrophobicContact CE2-CG2 3.57Å; T309-H312 HydrophobicContact CG2-CB 4.34Å; T309-H312 VanDerWaalsContact CG2-ND1 3.34Å; T309-H312 WeakPolarHBondContact CG2-ND1 3.42Å; T309-I328 VanDerWaalsContact CA-O 3.26Å; T309-I328 WeakPolarHBondContact CA-O 3.5Å; T309-I328 WeakPolarHBondContact CB-O 3.48Å; T309-I328 PolarHBondContact OG1-O 3.02Å
310	A	98.1	Very high	95.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-139	166.8	170.5	0	0	0	0	0	110.3	A263 I279 L284 H312 G327 I328	A263-A310 HydrophobicContact CB-CB 4.32Å; A263-A310 CarbonylContact O-C 3.54Å; A263-A310 WeakPolarHBondContact O-CA 3.34Å; I279-A310 HydrophobicContact CB-CB 3.69Å; I279-A310 HydrophobicContact CG2-CB 3.96Å; L284-A310 HydrophobicContact CD2-CB 3.73Å; A310-H312 PolarHBondContact O-N 3.44Å; A310-H312 VanDerWaalsContact O-N 3.08Å; A310-G327 CarbonylContact O-C 3.57Å; A310-G327 WeakPolarHBondContact O-CA 3.03Å; A310-I328 HydrophobicContact CB-CD1 4.37Å; A310-I328 HydrophobicContact CB-CG1 4.15Å; A310-I328 PolarHBondContact O-N 2.88Å
311	F	97.5	Very high	95.6	Very high	44 Å²	44	36.5 Å²	36.5	19%	0.193	17%	0.172	C	C	.	.	S	Bend	trans	55.7	24.7	-177.2	-56.9	-88.1	0	0	0	113.2	S44 G45 R207 A263 I279 I328	S44-F311 CarbonylContact C-O 3.57Å; S44-F311 WeakPolarHBondContact CA-O 3.42Å; G45-F311 PolarHBondContact N-O 3.26Å; R207-F311 HydrophobicContact CG-CE1 4.17Å; A263-F311 HydrophobicContact CB-CD1 3.67Å; A263-F311 HydrophobicContact CB-CD2 3.89Å; A263-F311 HydrophobicContact CB-CE1 3.69Å; A263-F311 HydrophobicContact CB-CE2 3.89Å; A263-F311 HydrophobicContact CB-CG 3.78Å; A263-F311 HydrophobicContact CB-CZ 3.8Å; A263-F311 PolarHBondContact O-N 3.05Å; I279-F311 HydrophobicContact CG2-CE2 4.42Å; F311-I328 HydrophobicContact CD2-CD1 3.73Å; F311-I328 HydrophobicContact CD2-CG1 4.13Å; F311-I328 HydrophobicContact CE2-CD1 4.06Å
312	H	98.1	Very high	95.7	Very high	6 Å²	6	35 Å²	35	3%	0.028	16%	0.163	C	C	.	.			trans	-83.9	158.3	174.6	55.8	-89	0	0	0	110.3	G265 C276 T309 A310 V324 G326	G265-H312 VanDerWaalsContact CA-NE2 3.29Å; G265-H312 WeakPolarHBondContact CA-NE2 2.85Å; G265-H312 PolarHBondContact N-CE1 3.17Å; G265-H312 VanDerWaalsContact N-CE1 3.33Å; G265-H312 PolarHBondContact N-NE2 3.21Å; C276-H312 PolarHBondContact O-CE1 2.89Å; C276-H312 VanDerWaalsContact O-CE1 3.26Å; C276-H312 PolarHBondContact O-NE2 3.2Å; T309-H312 HydrophobicContact CG2-CB 4.34Å; T309-H312 VanDerWaalsContact CG2-ND1 3.34Å; T309-H312 WeakPolarHBondContact CG2-ND1 3.42Å; A310-H312 PolarHBondContact O-N 3.44Å; A310-H312 VanDerWaalsContact O-N 3.08Å; H312-V324 HydrophobicContact CB-CG1 4.15Å; H312-V324 VanDerWaalsContact CD2-CG1 3.46Å; H312-V324 WeakPolarHBondContact CD2-CG1 3.4Å; H312-G326 VanDerWaalsContact CB-O 3.27Å; H312-G326 WeakPolarHBondContact CB-O 3.19Å
313	G	97.9	Very high	95.9	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	147.1	168.2	0	0	0	0	0	110	H46 M48 V324 F325	H46-G313 PolarHBondContact CE1-N 2.93Å; H46-G313 WeakPolarHBondContact NE2-CA 3.23Å; H46-G313 PolarHBondContact NE2-N 2.82Å; M48-G313 WeakPolarHBondContact SD-CA 3.29Å; G313-V324 WeakPolarHBondContact O-CA 3.24Å; G313-F325 PolarHBondContact N-O 3.32Å; G313-F325 PolarHBondContact O-N 2.78Å
314	C	97.9	Very high	96.1	Very high	12 Å²	12	26.4 Å²	26.4	8%	0.081	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	134.6	175.9	-170.5	0	0	0	0	108.7	V267 T323 V324	V267-C314 HydrophobicContact CG1-CB 4.28Å; C314-T323 VanDerWaalsContact CA-O 3.31Å; C314-T323 WeakPolarHBondContact CA-O 3.34Å; C314-V324 HydrophobicContact CB-CG2 4.27Å
315	A	98.2	Very high	96.3	Very high	3 Å²	3	19.5 Å²	19.5	3%	0.025	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	157.1	176.2	0	0	0	0	0	109.9	M48 I55 T323	M48-A315 HydrophobicContact CB-CB 3.74Å; I55-A315 HydrophobicContact CD1-CB 3.81Å; I55-A315 HydrophobicContact CG2-CB 4.04Å; A315-T323 PolarHBondContact N-O 3.26Å; A315-T323 PolarHBondContact O-N 3.25Å
316	I	97.5	Very high	96.3	Very high	12 Å²	12	19.4 Å²	19.4	6%	0.062	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.3	178.1	-171.1	154.5	0	0	0	109.9	S50 V267 Y269 Y274 C321 L322 M345	S50-I316 WeakPolarHBondContact CB-O 3.07Å; S50-I316 PolarHBondContact OG-O 3.12Å; V267-I316 HydrophobicContact CB-CB 4.17Å; V267-I316 HydrophobicContact CB-CG2 3.77Å; V267-I316 HydrophobicContact CG1-CB 4.46Å; V267-I316 HydrophobicContact CG1-CG2 4.35Å; V267-I316 HydrophobicContact CG2-CB 4.03Å; V267-I316 HydrophobicContact CG2-CG2 4.04Å; Y269-I316 HydrophobicContact CD2-CD1 3.98Å; Y269-I316 HydrophobicContact CD2-CG1 4.07Å; Y269-I316 HydrophobicContact CG-CD1 4.09Å; Y274-I316 HydrophobicContact CD2-CD1 4.3Å; Y274-I316 HydrophobicContact CE2-CD1 4.28Å; I316-C321 WeakPolarHBondContact CA-O 3.4Å; I316-L322 HydrophobicContact CD1-CB 4.21Å; I316-M345 HydrophobicContact CD1-CB 4.21Å; I316-M345 HydrophobicContact CD1-CG 3.88Å
317	T	95.2	Very high	96.5	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	8%	0.076	C	C	.	.			trans	-67.3	164.3	177	68.5	0	0	0	0	112.1	E53 I55 P79 G319 G320 C321	E53-T317 WeakPolarHBondContact O-CG2 3.33Å; E53-T317 WeakPolarHBondContact OE2-CB 3.46Å; E53-T317 PolarHBondContact OE2-OG1 3.07Å; I55-T317 HydrophobicContact CD1-CG2 3.78Å; I55-T317 HydrophobicContact CG1-CG2 4.35Å; P79-T317 HydrophobicContact CG-CG2 3.94Å; T317-G319 PolarHBondContact O-N 3.45Å; T317-G320 WeakPolarHBondContact O-CA 3.38Å; T317-G320 PolarHBondContact O-N 2.93Å; T317-G320 PolarHBondContact OG1-N 2.91Å; T317-C321 HydrophobicContact CG2-CB 4.15Å; T317-C321 PolarHBondContact N-O 3.07Å; T317-C321 WeakPolarHBondContact OG1-CB 3.44Å; T317-C321 PolarHBondContact OG1-N 3.2Å
318	E	92	Very high	96.7	Very high	116 Å²	116	14.6 Å²	14.6	54%	0.542	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-31.4	173.4	-69.6	-170.8	-168.4	0	0	112.7	D52 Y269 G320	D52-E318 PolarHBondContact O-N 3.41Å; Y269-E318 VanDerWaalsContact CE2-O 3.31Å; Y269-E318 WeakPolarHBondContact CE2-O 3.4Å; Y269-E318 PolarHBondContact OH-O 2.83Å; E318-G320 VanDerWaalsContact C-N 3.26Å; E318-G320 PolarHBondContact O-N 2.83Å
319	G	91.5	Very high	96.6	Very high	2 Å²	2	11.7 Å²	11.7	2%	0.021	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-20.5	170.7	0	0	0	0	0	114.3	E53 T317 W344 V346	E53-G319 VanDerWaalsContact OE1-CA 3.25Å; E53-G319 WeakPolarHBondContact OE1-CA 3.24Å; E53-G319 PolarHBondContact OE1-N 3.35Å; T317-G319 PolarHBondContact O-N 3.45Å; G319-W344 WeakPolarHBondContact O-CZ3 3.46Å; G319-V346 VanDerWaalsContact O-CG2 3.31Å; G319-V346 WeakPolarHBondContact O-CG2 3.47Å
320	G	94.9	Very high	96.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.			trans	97.5	26.6	-179.8	0	0	0	0	0	115	T317 E318 M345	T317-G320 WeakPolarHBondContact O-CA 3.38Å; T317-G320 PolarHBondContact O-N 2.93Å; T317-G320 PolarHBondContact OG1-N 2.91Å; E318-G320 VanDerWaalsContact C-N 3.26Å; E318-G320 PolarHBondContact O-N 2.83Å; G320-M345 PolarHBondContact O-N 2.84Å
321	C	94.3	Very high	96.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	106.6	171.5	-164.2	0	0	0	0	110	I316 T317 W344	I316-C321 WeakPolarHBondContact CA-O 3.4Å; T317-C321 HydrophobicContact CG2-CB 4.15Å; T317-C321 PolarHBondContact N-O 3.07Å; T317-C321 WeakPolarHBondContact OG1-CB 3.44Å; T317-C321 PolarHBondContact OG1-N 3.2Å; C321-W344 HydrophobicContact CB-CD2 4.06Å; C321-W344 HydrophobicContact CB-CE3 3.94Å; C321-W344 HydrophobicContact CB-CH2 3.92Å; C321-W344 HydrophobicContact CB-CZ2 4.04Å; C321-W344 HydrophobicContact CB-CZ3 3.87Å
322	L	97	Very high	95.8	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	129.3	175.4	-175.1	148.7	0	0	0	109.3	F11 V267 Y274 I316 V324 R342 R343 M345	F11-L322 HydrophobicContact CE1-CD2 3.62Å; F11-L322 HydrophobicContact CZ-CD2 3.92Å; V267-L322 HydrophobicContact CG2-CD1 3.66Å; V267-L322 HydrophobicContact CG2-CG 4.37Å; Y274-L322 HydrophobicContact CG-CD1 4.38Å; I316-L322 HydrophobicContact CD1-CB 4.21Å; L322-V324 HydrophobicContact CD2-CG2 3.9Å; L322-R342 CarbonylContact O-C 3.56Å; L322-R342 WeakPolarHBondContact O-CA 3.45Å; L322-R343 PolarHBondContact N-O 3.25Å; L322-R343 PolarHBondContact O-N 2.97Å; L322-M345 HydrophobicContact CB-CG 3.52Å; L322-M345 HydrophobicContact CB-SD 3.84Å; L322-M345 HydrophobicContact CD1-CE 4.41Å; L322-M345 HydrophobicContact CD1-CG 4.21Å; L322-M345 HydrophobicContact CD1-SD 4.22Å
323	T	96.9	Very high	95.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134	176.9	-58.6	0	0	0	0	109.7	M48 M77 C314 A315 T340 V341	M48-T323 HydrophobicContact CE-CG2 3.93Å; M77-T323 HydrophobicContact CE-CG2 3.09Å; C314-T323 VanDerWaalsContact CA-O 3.31Å; C314-T323 WeakPolarHBondContact CA-O 3.34Å; A315-T323 PolarHBondContact N-O 3.26Å; A315-T323 PolarHBondContact O-N 3.25Å; T323-T340 HydrophobicContact CG2-CG2 3.8Å; T323-V341 CarbonylContact C-O 3.54Å; T323-V341 WeakPolarHBondContact CA-O 3.46Å
324	V	97.7	Very high	95.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.8	168.8	170.1	0	0	0	0	109.4	L305 H312 G313 C314 L322 T340 V341	L305-V324 HydrophobicContact CD2-CB 4.32Å; L305-V324 HydrophobicContact CD2-CG2 3.96Å; H312-V324 HydrophobicContact CB-CG1 4.15Å; H312-V324 VanDerWaalsContact CD2-CG1 3.46Å; H312-V324 WeakPolarHBondContact CD2-CG1 3.4Å; G313-V324 WeakPolarHBondContact O-CA 3.24Å; C314-V324 HydrophobicContact CB-CG2 4.27Å; L322-V324 HydrophobicContact CD2-CG2 3.9Å; V324-T340 WeakPolarHBondContact O-CA 3.44Å; V324-V341 HydrophobicContact CB-CG2 3.75Å; V324-V341 HydrophobicContact CG1-CG2 4.36Å; V324-V341 PolarHBondContact N-O 2.97Å; V324-V341 PolarHBondContact O-N 2.72Å
325	F	97.5	Very high	95.1	Very high	1 Å²	1	31 Å²	31	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141.8	175.2	168.4	-111.7	0	0	0	111	P40 R43 H46 M48 W84 G313 C338 T340	P40-F325 HydrophobicContact CB-CE1 4.04Å; P40-F325 HydrophobicContact CB-CZ 3.66Å; P40-F325 HydrophobicContact CG-CE1 3.89Å; P40-F325 HydrophobicContact CG-CE2 4.24Å; P40-F325 HydrophobicContact CG-CZ 3.58Å; R43-F325 HydrophobicContact CG-CE1 3.84Å; R43-F325 HydrophobicContact CG-CZ 4.25Å; H46-F325 AromaticContact CE1-CD1 3.97Å; H46-F325 PolarHBondContact CE1-O 3.21Å; H46-F325 AromaticContact NE2-CD1 3.33Å; H46-F325 VanDerWaalsContact NE2-CD1 3.33Å; H46-F325 WeakPolarHBondContact NE2-CD1 3.29Å; H46-F325 AromaticContact NE2-CE1 3.96Å; H46-F325 PolarHBondContact NE2-O 3.27Å; M48-F325 HydrophobicContact CE-CB 3.9Å; M48-F325 HydrophobicContact SD-CB 3.68Å; M48-F325 HydrophobicContact SD-CD1 4.41Å; W84-F325 HydrophobicContact CH2-CB 4.23Å; W84-F325 AromaticContact CH2-CD1 3.83Å; W84-F325 HydrophobicContact CH2-CD1 3.83Å; W84-F325 HydrophobicContact CH2-CD2 4.21Å; W84-F325 HydrophobicContact CH2-CE1 4.27Å; W84-F325 AromaticContact CH2-CG 3.82Å; W84-F325 HydrophobicContact CH2-CG 3.82Å; W84-F325 HydrophobicContact CZ2-CB 4.2Å; W84-F325 HydrophobicContact CZ2-CD1 4.27Å; W84-F325 AromaticContact CZ2-CD2 3.8Å; W84-F325 HydrophobicContact CZ2-CD2 3.8Å; W84-F325 HydrophobicContact CZ2-CE2 4.24Å; W84-F325 AromaticContact CZ2-CG 3.82Å; W84-F325 HydrophobicContact CZ2-CG 3.82Å; G313-F325 PolarHBondContact N-O 3.32Å; G313-F325 PolarHBondContact O-N 2.78Å; F325-C338 HydrophobicContact CE2-CB 3.97Å; F325-C338 WeakPolarHBondContact CE2-O 3.43Å; F325-C338 HydrophobicContact CZ-CB 4.44Å; F325-T340 VanDerWaalsContact CD2-OG1 3.29Å; F325-T340 WeakPolarHBondContact CD2-OG1 3.33Å
326	G	97.1	Very high	94.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.			trans	67.6	-149.8	173.3	0	0	0	0	0	114.9	H312 T337 C339	H312-G326 VanDerWaalsContact CB-O 3.27Å; H312-G326 WeakPolarHBondContact CB-O 3.19Å; G326-T337 VanDerWaalsContact CA-O 3.23Å; G326-T337 WeakPolarHBondContact CA-O 3.34Å; G326-T337 VanDerWaalsContact O-CG2 3.26Å; G326-T337 WeakPolarHBondContact O-CG2 3.35Å; G326-C339 PolarHBondContact N-O 3.45Å
327	G	97.8	Very high	94.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.			trans	97.6	176.7	-174.1	0	0	0	0	0	113.8	R43 A310 R336 T337	R43-G327 PolarHBondContact O-N 3.15Å; A310-G327 CarbonylContact O-C 3.57Å; A310-G327 WeakPolarHBondContact O-CA 3.03Å; G327-R336 VanDerWaalsContact O-CA 3.31Å; G327-R336 WeakPolarHBondContact O-CA 3.43Å; G327-T337 PolarHBondContact O-N 3.45Å; G327-T337 VanDerWaalsContact O-N 3.1Å
328	I	97.5	Very high	94.7	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.036	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-86.8	153.9	170.8	66.8	176.5	0	0	0	110.6	L284 T309 A310 F311 D330 R335 R336	L284-I328 HydrophobicContact CD2-CD1 4.33Å; L284-I328 HydrophobicContact CD2-CG1 4.27Å; T309-I328 VanDerWaalsContact CA-O 3.26Å; T309-I328 WeakPolarHBondContact CA-O 3.5Å; T309-I328 WeakPolarHBondContact CB-O 3.48Å; T309-I328 PolarHBondContact OG1-O 3.02Å; A310-I328 HydrophobicContact CB-CD1 4.37Å; A310-I328 HydrophobicContact CB-CG1 4.15Å; A310-I328 PolarHBondContact O-N 2.88Å; F311-I328 HydrophobicContact CD2-CD1 3.73Å; F311-I328 HydrophobicContact CD2-CG1 4.13Å; F311-I328 HydrophobicContact CE2-CD1 4.06Å; I328-D330 WeakPolarHBondContact CD1-O 3.49Å; I328-R335 VanDerWaalsContact CA-O 3.27Å; I328-R335 WeakPolarHBondContact CA-O 3.14Å; I328-R336 HydrophobicContact CG2-CG 4.32Å
329	T	96.6	Very high	94.8	Very high	39 Å²	39	30.3 Å²	30.3	24%	0.239	17%	0.168	C	C	.	.	S	Bend	trans	-128.5	15.8	179.9	58.4	0	0	0	0	113.1	Y307 R335 T337	Y307-T329 HydrophobicContact CD2-CG2 4.18Å; T329-R335 PolarHBondContact N-O 3.36Å; T329-R335 PolarHBondContact O-NH2 3.23Å; T329-R335 VanDerWaalsContact O-NH2 3.17Å; T329-R335 WeakPolarHBondContact OG1-CB 3.41Å; T329-T337 HydrophobicContact CG2-CG2 3.95Å
330	D	95	Very high	94.9	Very high	25 Å²	25	30.4 Å²	30.4	13%	0.134	17%	0.168	C	C	.	.	S	Bend	trans	-144.6	156.9	168.6	70.1	-70.9	0	0	0	109.9	I328 G332 G333 N334 R335	I328-D330 WeakPolarHBondContact CD1-O 3.49Å; D330-G332 VanDerWaalsContact C-N 3.25Å; D330-G332 PolarHBondContact O-N 2.76Å; D330-G332 WeakPolarHBondContact OD2-CA 3.45Å; D330-G332 PolarHBondContact OD2-N 2.7Å; D330-G333 PolarHBondContact O-N 3.3Å; D330-G333 PolarHBondContact OD2-N 3.46Å; D330-G333 VanDerWaalsContact OD2-N 3.07Å; D330-N334 PolarHBondContact OD1-N 2.75Å; D330-N334 PolarHBondContact OD2-N 2.98Å; D330-N334 VanDerWaalsContact OD2-N 3.14Å; D330-N334 PolarHBondContact OD2-ND2 3.45Å; D330-R335 WeakPolarHBondContact OD1-CA 3.41Å; D330-R335 WeakPolarHBondContact OD1-CB 3.27Å; D330-R335 PolarHBondContact OD1-N 2.79Å
331	H	91.7	Very high	94.9	Very high	94 Å²	94	30.4 Å²	30.4	44%	0.435	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31	-179.3	-93.4	-84.1	0	0	0	114.5	T282 N283 L284 G333	T282-H331 PolarHBondContact O-CE1 2.76Å; T282-H331 VanDerWaalsContact O-CE1 3.31Å; T282-H331 PolarHBondContact O-NE2 2.83Å; T282-H331 VanDerWaalsContact O-NE2 3.1Å; N283-H331 WeakPolarHBondContact CA-CE1 3.42Å; N283-H331 WeakPolarHBondContact CA-NE2 3.39Å; N283-H331 PolarHBondContact N-CE1 3.31Å; N283-H331 PolarHBondContact N-NE2 3.27Å; L284-H331 PolarHBondContact N-CE1 3.41Å; L284-H331 PolarHBondContact N-NE2 3.25Å; H331-G333 VanDerWaalsContact C-N 3.3Å
332	G	90	Very high	94.9	Very high	58 Å²	58	31.5 Å²	31.5	60%	0.598	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.6	-179.3	0	0	0	0	0	113.6	D330 N334	D330-G332 VanDerWaalsContact C-N 3.25Å; D330-G332 PolarHBondContact O-N 2.76Å; D330-G332 WeakPolarHBondContact OD2-CA 3.45Å; D330-G332 PolarHBondContact OD2-N 2.7Å; G332-N334 VanDerWaalsContact C-N 3.28Å
333	G	90.7	Very high	94.8	Very high	15 Å²	15	32.4 Å²	32.4	16%	0.155	18%	0.175	C	C	.	.	S	Bend	trans	70.5	23.6	-175.5	0	0	0	0	0	113.8	D330 H331 R336	D330-G333 PolarHBondContact O-N 3.3Å; D330-G333 PolarHBondContact OD2-N 3.46Å; D330-G333 VanDerWaalsContact OD2-N 3.07Å; H331-G333 VanDerWaalsContact C-N 3.3Å; G333-R336 PolarHBondContact O-NH1 2.73Å; G333-R336 PolarHBondContact O-NH2 3.11Å; G333-R336 VanDerWaalsContact O-NH2 3.1Å
334	N	92	Very high	94.6	Very high	123 Å²	123	33.5 Å²	33.5	66%	0.658	18%	0.179	S	C	*	.			trans	-80.8	-32.1	-180	-63.9	-56.1	0	0	0	112.1	D330 G332	D330-N334 PolarHBondContact OD1-N 2.75Å; D330-N334 PolarHBondContact OD2-N 2.98Å; D330-N334 VanDerWaalsContact OD2-N 3.14Å; D330-N334 PolarHBondContact OD2-ND2 3.45Å; G332-N334 VanDerWaalsContact C-N 3.28Å
335	R	95.4	Very high	94.5	Very high	155 Å²	155	34.7 Å²	34.7	59%	0.585	19%	0.186	S	C	*	.			trans	-108.5	131.3	-179.3	-58.7	-173.8	-58.8	-168.4	2.3	110	I328 T329 D330	I328-R335 VanDerWaalsContact CA-O 3.27Å; I328-R335 WeakPolarHBondContact CA-O 3.14Å; T329-R335 PolarHBondContact N-O 3.36Å; T329-R335 PolarHBondContact O-NH2 3.23Å; T329-R335 VanDerWaalsContact O-NH2 3.17Å; T329-R335 WeakPolarHBondContact OG1-CB 3.41Å; D330-R335 WeakPolarHBondContact OD1-CA 3.41Å; D330-R335 WeakPolarHBondContact OD1-CB 3.27Å; D330-R335 PolarHBondContact OD1-N 2.79Å
336	R	95.8	Very high	94.2	Very high	41 Å²	41	36.5 Å²	36.5	16%	0.155	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-117.4	157.7	174	-71.6	165.6	-178.8	69.8	15.4	109.4	P42 S44 Y61 G327 I328 G333	P42-R336 HydrophobicContact CB-CB 3.8Å; S44-R336 PolarHBondContact OG-NE 2.93Å; S44-R336 PolarHBondContact OG-NH2 2.81Å; Y61-R336 WeakPolarHBondContact O-CD 3.46Å; Y61-R336 PolarHBondContact O-NE 3.47Å; G327-R336 VanDerWaalsContact O-CA 3.31Å; G327-R336 WeakPolarHBondContact O-CA 3.43Å; I328-R336 HydrophobicContact CG2-CG 4.32Å; G333-R336 PolarHBondContact O-NH1 2.73Å; G333-R336 PolarHBondContact O-NH2 3.11Å; G333-R336 VanDerWaalsContact O-NH2 3.1Å
337	T	94.7	Very high	94	Very high	26 Å²	26	41.4 Å²	41.4	16%	0.16	23%	0.228	C	C	.	.			trans	-118	156.4	175.8	-172.1	0	0	0	0	111	P42 R43 Y307 G326 G327 T329 C339	P42-T337 VanDerWaalsContact CA-O 3.24Å; P42-T337 WeakPolarHBondContact CA-O 3.28Å; R43-T337 PolarHBondContact N-O 2.61Å; Y307-T337 HydrophobicContact CD2-CG2 4.47Å; Y307-T337 HydrophobicContact CE2-CG2 3.77Å; G326-T337 VanDerWaalsContact CA-O 3.23Å; G326-T337 WeakPolarHBondContact CA-O 3.34Å; G326-T337 VanDerWaalsContact O-CG2 3.26Å; G326-T337 WeakPolarHBondContact O-CG2 3.35Å; G327-T337 PolarHBondContact O-N 3.45Å; G327-T337 VanDerWaalsContact O-N 3.1Å; T329-T337 HydrophobicContact CG2-CG2 3.95Å; T337-C339 HydrophobicContact CG2-CB 4.42Å; T337-C339 WeakPolarHBondContact OG1-CB 3.2Å; T337-C339 PolarHBondContact OG1-N 2.76Å
338	C	93.5	Very high	93.5	Very high	21 Å²	21	43 Å²	43	14%	0.142	24%	0.238	C	C	.	.			trans	-113.7	15.1	163.1	60.2	0	0	0	0	111.2	P40 P42 F325 T340	P40-C338 WeakPolarHBondContact O-CB 3.35Å; P42-C338 HydrophobicContact CB-CB 4.45Å; P42-C338 HydrophobicContact CG-CB 4.02Å; F325-C338 HydrophobicContact CE2-CB 3.97Å; F325-C338 WeakPolarHBondContact CE2-O 3.43Å; F325-C338 HydrophobicContact CZ-CB 4.44Å; C338-T340 PolarHBondContact O-N 3.05Å
339	C	93.1	Very high	93	Very high	30 Å²	30	44 Å²	44	20%	0.203	25%	0.246	C	C	.	.			trans	-60.6	132.6	174.7	-169.6	0	0	0	0	109.3	Y307 G326 T337	Y307-C339 HydrophobicContact CD1-CB 4.47Å; Y307-C339 HydrophobicContact CE1-CB 3.69Å; Y307-C339 VanDerWaalsContact CE1-SG 3.53Å; Y307-C339 PolarHBondContact OH-O 2.93Å; G326-C339 PolarHBondContact N-O 3.45Å; T337-C339 HydrophobicContact CG2-CB 4.42Å; T337-C339 WeakPolarHBondContact OG1-CB 3.2Å; T337-C339 PolarHBondContact OG1-N 2.76Å
340	T	94.9	Very high	92.5	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.025	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.2	173.2	-51.8	0	0	0	0	107.4	L14 M77 W84 T323 V324 F325 C338	L14-T340 HydrophobicContact CB-CG2 4.37Å; L14-T340 HydrophobicContact CD1-CG2 3.78Å; L14-T340 HydrophobicContact CG-CG2 4.24Å; L14-T340 PolarHBondContact N-O 3.25Å; M77-T340 HydrophobicContact CE-CG2 4.12Å; W84-T340 HydrophobicContact CZ2-CG2 3.95Å; W84-T340 WeakPolarHBondContact CZ2-OG1 3.44Å; W84-T340 PolarHBondContact NE1-OG1 2.63Å; T323-T340 HydrophobicContact CG2-CG2 3.8Å; V324-T340 WeakPolarHBondContact O-CA 3.44Å; F325-T340 VanDerWaalsContact CD2-OG1 3.29Å; F325-T340 WeakPolarHBondContact CD2-OG1 3.33Å; C338-T340 PolarHBondContact O-N 3.05Å
341	V	95.1	Very high	91.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.9	177	-57.5	0	0	0	0	109.7	F11 T12 V13 L305 P306 Y307 T323 V324	F11-V341 HydrophobicContact CB-CB 4.45Å; F11-V341 HydrophobicContact CD1-CB 4.15Å; F11-V341 HydrophobicContact CD1-CG2 3.81Å; F11-V341 HydrophobicContact CE1-CG2 4.38Å; T12-V341 CarbonylContact O-C 3.57Å; T12-V341 VanDerWaalsContact O-CA 3.24Å; T12-V341 WeakPolarHBondContact O-CA 3.48Å; V13-V341 HydrophobicContact CG2-CG1 4.02Å; L305-V341 HydrophobicContact CD2-CG2 4.08Å; P306-V341 HydrophobicContact CG-CG1 3.86Å; Y307-V341 HydrophobicContact CE1-CG1 3.94Å; T323-V341 CarbonylContact C-O 3.54Å; T323-V341 WeakPolarHBondContact CA-O 3.46Å; V324-V341 HydrophobicContact CB-CG2 3.75Å; V324-V341 HydrophobicContact CG1-CG2 4.36Å; V324-V341 PolarHBondContact N-O 2.97Å; V324-V341 PolarHBondContact O-N 2.72Å
342	R	94.3	Very high	91.1	Very high	22 Å²	22	48 Å²	48	8%	0.083	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.6	176.2	72.4	172.3	169	158.1	-11.5	112.5	F11 T12 L14 P79 E82 L322 E356	F11-R342 WeakPolarHBondContact CA-O 3.14Å; T12-R342 PolarHBondContact N-O 2.94Å; T12-R342 PolarHBondContact O-N 3.46Å; L14-R342 HydrophobicContact CD1-CB 4.46Å; L14-R342 HydrophobicContact CD1-CG 4.34Å; L14-R342 HydrophobicContact CD2-CG 3.71Å; L14-R342 HydrophobicContact CG-CG 4.26Å; P79-R342 WeakPolarHBondContact O-CD 3.3Å; P79-R342 PolarHBondContact O-NE 2.85Å; P79-R342 VanDerWaalsContact O-NE 3.13Å; P79-R342 PolarHBondContact O-NH1 2.82Å; P79-R342 PolarHBondContact O-NH2 2.94Å; E82-R342 IonicContact OE1-CZ 3.05Å; E82-R342 IonicContact OE1-NE 2.74Å; E82-R342 IonicContact OE1-NH2 2.74Å; E82-R342 PolarHBondContact OE1-NH2 2.81Å; L322-R342 CarbonylContact O-C 3.56Å; L322-R342 WeakPolarHBondContact O-CA 3.45Å; R342-E356 IonicContact CZ-OE1 3.46Å; R342-E356 IonicContact NH1-OE1 3.66Å; R342-E356 PolarHBondContact NH1-OE1 2.82Å; R342-E356 IonicContact NH2-OE1 2.79Å
343	R	93.7	Very high	90.8	Very high	19 Å²	19	48.4 Å²	48.4	7%	0.072	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	136	172.6	-176.6	-168	177.3	100.5	1.1	110.5	Y9 F11 C303 L322 M345	Y9-R343 VanDerWaalsContact C-CZ 3.41Å; Y9-R343 PolarHBondContact O-NH1 3.09Å; Y9-R343 PolarHBondContact O-NH2 3.08Å; F11-R343 HydrophobicContact CD1-CB 3.72Å; F11-R343 HydrophobicContact CD2-CB 4.43Å; F11-R343 HydrophobicContact CE1-CB 3.68Å; F11-R343 HydrophobicContact CE2-CB 4.38Å; F11-R343 HydrophobicContact CG-CB 4.11Å; F11-R343 HydrophobicContact CZ-CB 4.03Å; C303-R343 PolarHBondContact SG-NH1 2.81Å; C303-R343 VanDerWaalsContact SG-NH1 3.37Å; L322-R343 PolarHBondContact N-O 3.25Å; L322-R343 PolarHBondContact O-N 2.97Å; R343-M345 HydrophobicContact CB-SD 4.24Å; R343-M345 VanDerWaalsContact CD-SD 3.57Å; R343-M345 HydrophobicContact CG-SD 3.99Å; R343-M345 PolarHBondContact O-N 2.89Å
344	W	93.6	Very high	90.2	Very high	23 Å²	23	50.1 Å²	50.1	9%	0.087	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	120.2	166.7	-74.5	103.7	0	0	0	110.6	H80 G319 C321 V346 P348 I352	H80-W344 AromaticContact CE1-CH2 3.62Å; H80-W344 AromaticContact CE1-CZ2 3.35Å; H80-W344 WeakPolarHBondContact CE1-CZ2 3.15Å; H80-W344 AromaticContact ND1-CZ2 3.78Å; G319-W344 WeakPolarHBondContact O-CZ3 3.46Å; C321-W344 HydrophobicContact CB-CD2 4.06Å; C321-W344 HydrophobicContact CB-CE3 3.94Å; C321-W344 HydrophobicContact CB-CH2 3.92Å; C321-W344 HydrophobicContact CB-CZ2 4.04Å; C321-W344 HydrophobicContact CB-CZ3 3.87Å; W344-V346 WeakPolarHBondContact CB-O 3.24Å; W344-P348 HydrophobicContact CD2-CB 3.73Å; W344-P348 HydrophobicContact CD2-CG 4.34Å; W344-P348 HydrophobicContact CE3-CB 3.89Å; W344-P348 HydrophobicContact CG-CB 4.35Å; W344-P348 HydrophobicContact CG-CG 4.47Å; W344-P348 HydrophobicContact CH2-CB 3.94Å; W344-P348 HydrophobicContact CZ2-CB 3.76Å; W344-P348 HydrophobicContact CZ3-CB 3.99Å; W344-I352 HydrophobicContact CH2-CB 4.24Å; W344-I352 HydrophobicContact CH2-CG1 4.18Å; W344-I352 HydrophobicContact CH2-CG2 3.96Å; W344-I352 HydrophobicContact CZ2-CB 4.33Å; W344-I352 HydrophobicContact CZ2-CG2 3.64Å
345	M	94.2	Very high	89.2	Confident	26 Å²	26	45.8 Å²	45.8	13%	0.128	23%	0.234	C	C	.	.	S	Bend	trans	-89.8	-16.8	179.1	-55.1	-50.9	-71.3	0	0	112.6	Y274 L301 I316 G320 L322 R343	Y274-M345 HydrophobicContact CD1-CE 3.34Å; Y274-M345 HydrophobicContact CE1-CB 4.29Å; Y274-M345 HydrophobicContact CE1-CE 3.33Å; Y274-M345 HydrophobicContact CE2-CB 3.99Å; Y274-M345 HydrophobicContact CE2-CG 4.29Å; Y274-M345 HydrophobicContact CG-CE 3.98Å; L301-M345 HydrophobicContact CD1-CE 3.34Å; I316-M345 HydrophobicContact CD1-CB 4.21Å; I316-M345 HydrophobicContact CD1-CG 3.88Å; G320-M345 PolarHBondContact O-N 2.84Å; L322-M345 HydrophobicContact CB-CG 3.52Å; L322-M345 HydrophobicContact CB-SD 3.84Å; L322-M345 HydrophobicContact CD1-CE 4.41Å; L322-M345 HydrophobicContact CD1-CG 4.21Å; L322-M345 HydrophobicContact CD1-SD 4.22Å; R343-M345 HydrophobicContact CB-SD 4.24Å; R343-M345 VanDerWaalsContact CD-SD 3.57Å; R343-M345 HydrophobicContact CG-SD 3.99Å; R343-M345 PolarHBondContact O-N 2.89Å
346	V	92.3	Very high	88.1	Confident	39 Å²	39	40.3 Å²	40.3	24%	0.236	22%	0.215	C	C	.	.	S	Bend	trans	-136.6	161.4	172.6	-64.1	0	0	0	0	107.8	Y269 G319 W344	Y269-V346 HydrophobicContact CD1-CG1 4.29Å; Y269-V346 HydrophobicContact CE1-CG1 3.86Å; Y269-V346 HydrophobicContact CE1-CG2 4.03Å; G319-V346 VanDerWaalsContact O-CG2 3.31Å; G319-V346 WeakPolarHBondContact O-CG2 3.47Å; W344-V346 WeakPolarHBondContact CB-O 3.24Å
347	P	91.6	Very high	87.2	Confident	102 Å²	102	44.8 Å²	44.8	66%	0.662	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-51.8	131.8	173.8	-27.7	36.2	0	0	0	111.5
348	P	88.8	Confident	86	Confident	33 Å²	33	45.9 Å²	45.9	21%	0.214	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-60	141.6	-178.6	17.6	-27	0	0	0	111.4	W344 I353	W344-P348 HydrophobicContact CD2-CB 3.73Å; W344-P348 HydrophobicContact CD2-CG 4.34Å; W344-P348 HydrophobicContact CE3-CB 3.89Å; W344-P348 HydrophobicContact CG-CB 4.35Å; W344-P348 HydrophobicContact CG-CG 4.47Å; W344-P348 HydrophobicContact CH2-CB 3.94Å; W344-P348 HydrophobicContact CZ2-CB 3.76Å; W344-P348 HydrophobicContact CZ3-CB 3.99Å; P348-I353 HydrophobicContact CB-CD1 4.4Å; P348-I353 HydrophobicContact CB-CG1 3.92Å; P348-I353 HydrophobicContact CG-CD1 3.96Å; P348-I353 HydrophobicContact CG-CG1 3.79Å
349	P	86.8	Confident	84.6	Confident	29 Å²	29	46.2 Å²	46.2	19%	0.188	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-57.1	142.7	172.9	-23.9	33.3	0	0	0	111.1	R351 I352 I353	P349-R351 HydrophobicContact CB-CG 3.95Å; P349-R351 PolarHBondContact O-N 3.08Å; P349-R351 VanDerWaalsContact O-N 3.11Å; P349-I352 HydrophobicContact CB-CG1 4.32Å; P349-I352 HydrophobicContact CG-CG1 4.33Å; P349-I352 PolarHBondContact O-N 2.64Å; P349-I353 PolarHBondContact O-N 3.27Å; P349-I353 VanDerWaalsContact O-N 3.15Å
350	L	85.1	Confident	83.3	Confident	132 Å²	132	52.2 Å²	52.2	69%	0.691	27%	0.265	S	S	*	.	H	α-helix	trans	-52.6	-38.7	179	-178.6	61.9	0	0	0	112.1	I352 I353 S354	L350-I352 VanDerWaalsContact C-N 3.26Å; L350-I352 PolarHBondContact O-N 2.79Å; L350-I353 PolarHBondContact O-N 2.85Å; L350-S354 WeakPolarHBondContact O-CB 3.17Å; L350-S354 PolarHBondContact O-N 2.77Å; L350-S354 PolarHBondContact O-OG 2.95Å; L350-S354 VanDerWaalsContact O-OG 3.07Å
351	R	78.5	Confident	81.9	Confident	109 Å²	109	57 Å²	57	41%	0.411	29%	0.286	S	S	.	.	H	α-helix	trans	-53.6	-43.8	174.9	68.9	174.3	-175.4	-87	-1.8	111.9	E53 P349 S354 L355	E53-R351 IonicContact OE1-CZ 2.64Å; E53-R351 IonicContact OE1-NH2 2.75Å; E53-R351 PolarHBondContact OE1-NH2 3.03Å; P349-R351 HydrophobicContact CB-CG 3.95Å; P349-R351 PolarHBondContact O-N 3.08Å; P349-R351 VanDerWaalsContact O-N 3.11Å; R351-S354 PolarHBondContact O-N 2.97Å; R351-L355 WeakPolarHBondContact O-CB 3.37Å; R351-L355 WeakPolarHBondContact O-CG 3.37Å; R351-L355 PolarHBondContact O-N 2.84Å
352	I	79.5	Confident	80.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-74.1	-40.4	-177.2	-57.7	-56	0	0	0	110.7	E53 H80 W344 P349 L350 S354 L355 E356	E53-I352 HydrophobicContact CG-CD1 3.9Å; H80-I352 WeakPolarHBondContact ND1-CG2 3.43Å; W344-I352 HydrophobicContact CH2-CB 4.24Å; W344-I352 HydrophobicContact CH2-CG1 4.18Å; W344-I352 HydrophobicContact CH2-CG2 3.96Å; W344-I352 HydrophobicContact CZ2-CB 4.33Å; W344-I352 HydrophobicContact CZ2-CG2 3.64Å; P349-I352 HydrophobicContact CB-CG1 4.32Å; P349-I352 HydrophobicContact CG-CG1 4.33Å; P349-I352 PolarHBondContact O-N 2.64Å; L350-I352 VanDerWaalsContact C-N 3.26Å; L350-I352 PolarHBondContact O-N 2.79Å; I352-S354 VanDerWaalsContact C-N 3.29Å; I352-S354 PolarHBondContact O-N 3.34Å; I352-L355 HydrophobicContact CD1-CD1 4.41Å; I352-L355 PolarHBondContact O-N 2.88Å; I352-E356 HydrophobicContact CG2-CG 4.33Å; I352-E356 WeakPolarHBondContact O-CB 3.4Å; I352-E356 WeakPolarHBondContact O-CG 3.21Å; I352-E356 PolarHBondContact O-N 3.26Å
353	I	82.3	Confident	78.7	Confident	68 Å²	68	59.3 Å²	59.3	35%	0.349	30%	0.304	S	S	.	.	H	α-helix	trans	-57.7	-46.8	173.6	-57.1	174	0	0	0	110	P348 P349 L350 E356 K357	P348-I353 HydrophobicContact CB-CD1 4.4Å; P348-I353 HydrophobicContact CB-CG1 3.92Å; P348-I353 HydrophobicContact CG-CD1 3.96Å; P348-I353 HydrophobicContact CG-CG1 3.79Å; P349-I353 PolarHBondContact O-N 3.27Å; P349-I353 VanDerWaalsContact O-N 3.15Å; L350-I353 PolarHBondContact O-N 2.85Å; I353-E356 PolarHBondContact O-N 3.38Å; I353-K357 WeakPolarHBondContact O-CG 3.34Å; I353-K357 PolarHBondContact O-N 3.29Å
354	S	79.2	Confident	77.2	Confident	51 Å²	51	62.5 Å²	62.5	36%	0.357	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-48	176.4	-62.6	0	0	0	0	111.1	L350 R351 I352 E356 K357 I358	L350-S354 WeakPolarHBondContact O-CB 3.17Å; L350-S354 PolarHBondContact O-N 2.77Å; L350-S354 PolarHBondContact O-OG 2.95Å; L350-S354 VanDerWaalsContact O-OG 3.07Å; R351-S354 PolarHBondContact O-N 2.97Å; I352-S354 VanDerWaalsContact C-N 3.29Å; I352-S354 PolarHBondContact O-N 3.34Å; S354-E356 VanDerWaalsContact C-N 3.35Å; S354-E356 PolarHBondContact O-N 2.91Å; S354-K357 PolarHBondContact O-N 3.26Å; S354-I358 VanDerWaalsContact O-CB 3.31Å; S354-I358 WeakPolarHBondContact O-CB 3.34Å; S354-I358 VanDerWaalsContact O-CD1 3.32Å; S354-I358 WeakPolarHBondContact O-CD1 3.26Å; S354-I358 WeakPolarHBondContact O-CG1 3.27Å; S354-I358 PolarHBondContact O-N 2.78Å
355	L	71.1	Confident	75.3	Confident	32 Å²	32	65.9 Å²	65.9	17%	0.168	35%	0.349	C	S	.	.	H	α-helix	trans	-62.5	-37.5	178.3	-72.8	-174.8	0	0	0	113.1	R351 I352 G359 F373 V383	R351-L355 WeakPolarHBondContact O-CB 3.37Å; R351-L355 WeakPolarHBondContact O-CG 3.37Å; R351-L355 PolarHBondContact O-N 2.84Å; I352-L355 HydrophobicContact CD1-CD1 4.41Å; I352-L355 PolarHBondContact O-N 2.88Å; L355-G359 WeakPolarHBondContact O-CA 3.47Å; L355-G359 PolarHBondContact O-N 3.4Å; L355-F373 HydrophobicContact CD1-CB 4.31Å; L355-F373 HydrophobicContact CD1-CD1 3.83Å; L355-F373 HydrophobicContact CD1-CE1 4.49Å; L355-F373 HydrophobicContact CD1-CG 4.16Å; L355-F373 HydrophobicContact CD2-CD1 3.25Å; L355-F373 HydrophobicContact CD2-CD2 4.28Å; L355-F373 HydrophobicContact CD2-CE1 3.03Å; L355-F373 HydrophobicContact CD2-CE2 4.18Å; L355-F373 HydrophobicContact CD2-CG 3.94Å; L355-F373 HydrophobicContact CD2-CZ 3.6Å; L355-F373 HydrophobicContact CG-CD1 4.13Å; L355-F373 HydrophobicContact CG-CE1 4.32Å; L355-V383 HydrophobicContact CD2-CG1 4.43Å
356	E	72.7	Confident	73.3	Confident	40 Å²	40	66.7 Å²	66.7	19%	0.187	35%	0.352	C	S	.	.	H	α-helix	trans	-66.9	-41.4	174.5	-75.9	-170.9	161.1	0	0	111.1	H80 R342 I352 I353 S354 G359 R360	H80-E356 HydrophobicContact CB-CG 4.49Å; R342-E356 IonicContact CZ-OE1 3.46Å; R342-E356 IonicContact NH1-OE1 3.66Å; R342-E356 PolarHBondContact NH1-OE1 2.82Å; R342-E356 IonicContact NH2-OE1 2.79Å; I352-E356 HydrophobicContact CG2-CG 4.33Å; I352-E356 WeakPolarHBondContact O-CB 3.4Å; I352-E356 WeakPolarHBondContact O-CG 3.21Å; I352-E356 PolarHBondContact O-N 3.26Å; I353-E356 PolarHBondContact O-N 3.38Å; S354-E356 VanDerWaalsContact C-N 3.35Å; S354-E356 PolarHBondContact O-N 2.91Å; E356-G359 PolarHBondContact O-N 2.86Å; E356-R360 WeakPolarHBondContact O-CB 3.39Å; E356-R360 VanDerWaalsContact O-CG 3.28Å; E356-R360 WeakPolarHBondContact O-CG 3.36Å; E356-R360 PolarHBondContact O-N 2.7Å
357	K	75.3	Confident	71.4	Confident	134 Å²	134	73.9 Å²	73.9	58%	0.583	38%	0.38	S	S	*	.	H	α-helix	trans	-66.2	-47.1	177.1	-73.2	-64.2	-174.9	178.6	0	112.2	I353 S354 R360 F361	I353-K357 WeakPolarHBondContact O-CG 3.34Å; I353-K357 PolarHBondContact O-N 3.29Å; S354-K357 PolarHBondContact O-N 3.26Å; K357-R360 PolarHBondContact O-N 3.21Å; K357-F361 PolarHBondContact O-N 2.64Å; K357-F361 VanDerWaalsContact O-N 3.08Å
358	I	69.8	Low	69.5	Low	50 Å²	50	75.2 Å²	75.2	26%	0.256	38%	0.376	S	S	.	.	H	α-helix	trans	-61.4	-47.9	174.6	-69.3	160.2	0	0	0	109.5	S354 R360 F361 M362 L387	S354-I358 VanDerWaalsContact O-CB 3.31Å; S354-I358 WeakPolarHBondContact O-CB 3.34Å; S354-I358 VanDerWaalsContact O-CD1 3.32Å; S354-I358 WeakPolarHBondContact O-CD1 3.26Å; S354-I358 WeakPolarHBondContact O-CG1 3.27Å; S354-I358 PolarHBondContact O-N 2.78Å; I358-R360 VanDerWaalsContact C-N 3.31Å; I358-R360 PolarHBondContact O-N 3.48Å; I358-F361 CarbonylContact O-C 3.59Å; I358-F361 WeakPolarHBondContact O-CB 3.26Å; I358-F361 PolarHBondContact O-N 3.32Å; I358-F361 VanDerWaalsContact O-N 3.13Å; I358-M362 HydrophobicContact CG2-CG 3.99Å; I358-M362 WeakPolarHBondContact O-CB 3.22Å; I358-M362 VanDerWaalsContact O-CG 3.22Å; I358-M362 WeakPolarHBondContact O-CG 3.22Å; I358-M362 PolarHBondContact O-N 3.23Å; I358-L387 HydrophobicContact CD1-CD2 3.66Å; I358-L387 HydrophobicContact CG1-CD2 4.37Å; I358-L387 HydrophobicContact CG2-CD1 3.22Å; I358-L387 HydrophobicContact CG2-CD2 3.93Å; I358-L387 HydrophobicContact CG2-CG 4.2Å
359	G	64.6	Low	67.6	Low	27 Å²	27	79.4 Å²	79.4	28%	0.278	39%	0.392	S	S	.	.	H	α-helix	trans	-59.7	-37.7	179.2	0	0	0	0	0	112.9	L355 E356 M362 S363	L355-G359 WeakPolarHBondContact O-CA 3.47Å; L355-G359 PolarHBondContact O-N 3.4Å; E356-G359 PolarHBondContact O-N 2.86Å; G359-M362 PolarHBondContact O-N 3.29Å; G359-S363 VanDerWaalsContact O-CB 3.26Å; G359-S363 WeakPolarHBondContact O-CB 3.38Å; G359-S363 PolarHBondContact O-N 2.8Å; G359-S363 PolarHBondContact O-OG 2.87Å
360	R	66.9	Low	65.7	Low	156 Å²	156	84.1 Å²	84.1	59%	0.589	42%	0.416	S	S	*	.	H	α-helix	trans	-63.8	-50	172.1	-75.4	176.3	-165.6	-171.2	6.8	111.3	E356 K357 I358 M362 S363 S364	E356-R360 WeakPolarHBondContact O-CB 3.39Å; E356-R360 VanDerWaalsContact O-CG 3.28Å; E356-R360 WeakPolarHBondContact O-CG 3.36Å; E356-R360 PolarHBondContact O-N 2.7Å; K357-R360 PolarHBondContact O-N 3.21Å; I358-R360 VanDerWaalsContact C-N 3.31Å; I358-R360 PolarHBondContact O-N 3.48Å; R360-M362 VanDerWaalsContact C-N 3.27Å; R360-M362 PolarHBondContact O-N 3.05Å; R360-S363 WeakPolarHBondContact CA-OG 3.43Å; R360-S363 PolarHBondContact O-N 2.86Å; R360-S363 PolarHBondContact O-OG 2.86Å; R360-S364 PolarHBondContact O-N 2.61Å; R360-S364 VanDerWaalsContact O-N 3.08Å; R360-S364 PolarHBondContact O-OG 3.39Å; R360-S364 VanDerWaalsContact O-OG 3.14Å
361	F	65.4	Low	64	Low	104 Å²	104	79.5 Å²	79.5	46%	0.456	40%	0.395	S	S	.	.	H	α-helix	trans	-57.7	-40.7	174.7	177.6	-93.7	0	0	0	112.2	K357 I358 S364 N365 L391	K357-F361 PolarHBondContact O-N 2.64Å; K357-F361 VanDerWaalsContact O-N 3.08Å; I358-F361 CarbonylContact O-C 3.59Å; I358-F361 WeakPolarHBondContact O-CB 3.26Å; I358-F361 PolarHBondContact O-N 3.32Å; I358-F361 VanDerWaalsContact O-N 3.13Å; F361-S364 PolarHBondContact O-OG 3.21Å; F361-N365 WeakPolarHBondContact O-CB 3.31Å; F361-N365 PolarHBondContact O-N 3.03Å; F361-N365 PolarHBondContact O-ND2 3.29Å; F361-L391 HydrophobicContact CE1-CD2 4.17Å
362	M	60.8	Low	62.6	Low	12 Å²	12	74.6 Å²	74.6	6%	0.059	38%	0.377	C	S	.	.	H	α-helix	trans	-68.4	-44.3	177	-71.2	-58.6	-62.8	0	0	110.9	I358 G359 R360 S364 N365 F366 W386 L387 Q390	I358-M362 HydrophobicContact CG2-CG 3.99Å; I358-M362 WeakPolarHBondContact O-CB 3.22Å; I358-M362 VanDerWaalsContact O-CG 3.22Å; I358-M362 WeakPolarHBondContact O-CG 3.22Å; I358-M362 PolarHBondContact O-N 3.23Å; G359-M362 PolarHBondContact O-N 3.29Å; R360-M362 VanDerWaalsContact C-N 3.27Å; R360-M362 PolarHBondContact O-N 3.05Å; M362-S364 VanDerWaalsContact C-N 3.28Å; M362-S364 PolarHBondContact O-N 2.86Å; M362-N365 CarbonylContact O-C 3.55Å; M362-N365 PolarHBondContact O-N 2.96Å; M362-F366 HydrophobicContact CB-CD2 4.31Å; M362-F366 HydrophobicContact CE-CB 3.93Å; M362-F366 HydrophobicContact CE-CD1 3.88Å; M362-F366 HydrophobicContact CE-CD2 3.27Å; M362-F366 HydrophobicContact CE-CE1 4.06Å; M362-F366 HydrophobicContact CE-CE2 3.49Å; M362-F366 VanDerWaalsContact CE-CE2 3.49Å; M362-F366 HydrophobicContact CE-CG 3.43Å; M362-F366 VanDerWaalsContact CE-CG 3.43Å; M362-F366 HydrophobicContact CE-CZ 3.81Å; M362-F366 WeakPolarHBondContact O-CA 3.21Å; M362-F366 WeakPolarHBondContact O-CB 3.23Å; M362-F366 WeakPolarHBondContact O-CD2 3.24Å; M362-F366 PolarHBondContact O-N 3.3Å; M362-F366 HydrophobicContact SD-CD2 3.53Å; M362-F366 VanDerWaalsContact SD-CD2 3.53Å; M362-F366 HydrophobicContact SD-CE2 3.31Å; M362-F366 WeakPolarHBondContact SD-CE2 3.4Å; M362-F366 HydrophobicContact SD-CG 4.32Å; M362-F366 HydrophobicContact SD-CZ 3.93Å; M362-W386 HydrophobicContact CE-CH2 4.1Å; M362-L387 HydrophobicContact SD-CD1 4.46Å; M362-Q390 HydrophobicContact CE-CB 3.41Å; M362-Q390 VanDerWaalsContact CE-CB 3.41Å; M362-Q390 HydrophobicContact CE-CG 3.68Å; M362-Q390 HydrophobicContact SD-CB 4.25Å
363	S	60.1	Low	61.3	Low	60 Å²	60	75.3 Å²	75.3	42%	0.42	38%	0.38	S	S	.	.	H	α-helix	trans	-66.2	-28.9	-178.7	68.2	0	0	0	0	113.7	G359 R360 N365	G359-S363 VanDerWaalsContact O-CB 3.26Å; G359-S363 WeakPolarHBondContact O-CB 3.38Å; G359-S363 PolarHBondContact O-N 2.8Å; G359-S363 PolarHBondContact O-OG 2.87Å; R360-S363 WeakPolarHBondContact CA-OG 3.43Å; R360-S363 PolarHBondContact O-N 2.86Å; R360-S363 PolarHBondContact O-OG 2.86Å; S363-N365 VanDerWaalsContact C-N 3.31Å
364	S	62.1	Low	60	Low	85 Å²	85	73 Å²	73	59%	0.594	37%	0.368	S	S	*	.	H	α-helix	trans	-73.6	-24.5	172.4	47.4	0	0	0	0	112.9	R360 F361 M362	R360-S364 PolarHBondContact O-N 2.61Å; R360-S364 VanDerWaalsContact O-N 3.08Å; R360-S364 PolarHBondContact O-OG 3.39Å; R360-S364 VanDerWaalsContact O-OG 3.14Å; F361-S364 PolarHBondContact O-OG 3.21Å; M362-S364 VanDerWaalsContact C-N 3.28Å; M362-S364 PolarHBondContact O-N 2.86Å
365	N	54.1	Low	59.1	Low	95 Å²	95	73.9 Å²	73.9	51%	0.508	37%	0.367	S	S	.	.	H	α-helix	trans	-117.5	-12.7	-169.3	-64.9	-45.4	0	0	0	114.3	F361 M362 S363	F361-N365 WeakPolarHBondContact O-CB 3.31Å; F361-N365 PolarHBondContact O-N 3.03Å; F361-N365 PolarHBondContact O-ND2 3.29Å; M362-N365 CarbonylContact O-C 3.55Å; M362-N365 PolarHBondContact O-N 2.96Å; S363-N365 VanDerWaalsContact C-N 3.31Å
366	F	51.9	Low	58.4	Low	43 Å²	43	73.5 Å²	73.5	19%	0.189	37%	0.365	C	S	.	.	S	Bend	trans	-145.1	152	-170.4	-55.7	-100.3	0	0	0	112.5	M362 K368 Q390 V394	M362-F366 HydrophobicContact CB-CD2 4.31Å; M362-F366 HydrophobicContact CE-CB 3.93Å; M362-F366 HydrophobicContact CE-CD1 3.88Å; M362-F366 HydrophobicContact CE-CD2 3.27Å; M362-F366 HydrophobicContact CE-CE1 4.06Å; M362-F366 HydrophobicContact CE-CE2 3.49Å; M362-F366 VanDerWaalsContact CE-CE2 3.49Å; M362-F366 HydrophobicContact CE-CG 3.43Å; M362-F366 VanDerWaalsContact CE-CG 3.43Å; M362-F366 HydrophobicContact CE-CZ 3.81Å; M362-F366 WeakPolarHBondContact O-CA 3.21Å; M362-F366 WeakPolarHBondContact O-CB 3.23Å; M362-F366 WeakPolarHBondContact O-CD2 3.24Å; M362-F366 PolarHBondContact O-N 3.3Å; M362-F366 HydrophobicContact SD-CD2 3.53Å; M362-F366 VanDerWaalsContact SD-CD2 3.53Å; M362-F366 HydrophobicContact SD-CE2 3.31Å; M362-F366 WeakPolarHBondContact SD-CE2 3.4Å; M362-F366 HydrophobicContact SD-CG 4.32Å; M362-F366 HydrophobicContact SD-CZ 3.93Å; F366-K368 PolarHBondContact O-N 3.49Å; F366-Q390 WeakPolarHBondContact CE1-O 3.34Å; F366-Q390 WeakPolarHBondContact CZ-O 3.23Å; F366-V394 HydrophobicContact CE1-CG2 3.9Å; F366-V394 HydrophobicContact CE2-CG2 4.05Å; F366-V394 HydrophobicContact CZ-CG2 3.2Å
367	K	53.3	Low	57.9	Low	189 Å²	189	76.9 Å²	76.9	82%	0.822	38%	0.38	S	S	*	.			trans	-73.5	115.2	178.8	-69.3	-178.9	-178.3	174.5	0	110.3	Q369	K367-Q369 PolarHBondContact O-N 3.23Å
368	K	50.7	Low	57.3	Low	131 Å²	131	74.8 Å²	74.8	57%	0.57	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	17.7	-171.2	-143.3	-176.6	-173.3	-170.7	0	118.2	F366	F366-K368 PolarHBondContact O-N 3.49Å
369	Q	49.3	Very low	57	Low	120 Å²	120	74.7 Å²	74.7	56%	0.561	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-26.4	-158.7	-116.1	162.1	-39.1	0	0	116.2	K367	K367-Q369 PolarHBondContact O-N 3.23Å
370	D	47.5	Very low	57	Low	128 Å²	128	78.9 Å²	78.9	68%	0.684	39%	0.391	S	S	*	.			trans	-138.1	60.8	-173.1	-57.7	-59	0	0	0	111.7	P372 W386	D370-P372 WeakPolarHBondContact O-CD 3.35Å; D370-W386 PolarHBondContact O-NE1 3.07Å
371	S	49	Very low	57.1	Low	36 Å²	36	75.2 Å²	75.2	25%	0.252	39%	0.386	S	S	.	.			trans	-69.5	114.8	171.1	179.9	0	0	0	0	109.2	F373	S371-F373 PolarHBondContact O-N 3.36Å; S371-F373 VanDerWaalsContact OG-CB 3.32Å; S371-F373 WeakPolarHBondContact OG-CB 3.5Å; S371-F373 WeakPolarHBondContact OG-CD2 3.16Å; S371-F373 WeakPolarHBondContact OG-CG 3.16Å; S371-F373 PolarHBondContact OG-N 3.47Å
372	P	49	Very low	57.2	Low	5 Å²	5	73.3 Å²	73.3	3%	0.032	38%	0.381	C	S	.	.			trans	-73.6	-2.1	173.5	34.8	-38.5	0	0	0	111.9	D370 L374 E375 K378 V383 W386	D370-P372 WeakPolarHBondContact O-CD 3.35Å; P372-L374 PolarHBondContact O-N 3.32Å; P372-E375 PolarHBondContact O-N 3.39Å; P372-K378 HydrophobicContact CB-CD 3.4Å; P372-K378 VanDerWaalsContact CB-CD 3.4Å; P372-V383 WeakPolarHBondContact O-CG2 3.49Å; P372-W386 HydrophobicContact CB-CG 4.49Å; P372-W386 HydrophobicContact CG-CB 3.49Å; P372-W386 VanDerWaalsContact CG-CB 3.49Å; P372-W386 HydrophobicContact CG-CD2 3.48Å; P372-W386 VanDerWaalsContact CG-CD2 3.48Å; P372-W386 HydrophobicContact CG-CE3 3.85Å; P372-W386 HydrophobicContact CG-CG 3.32Å
373	F	52.4	Low	57.4	Low	15 Å²	15	73.5 Å²	73.5	7%	0.066	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	104.7	178.4	-59.2	-53.3	0	0	0	107.2	N78 L355 S371 V383 W386 L387	N78-F373 PolarHBondContact ND2-O 3.11Å; L355-F373 HydrophobicContact CD1-CB 4.31Å; L355-F373 HydrophobicContact CD1-CD1 3.83Å; L355-F373 HydrophobicContact CD1-CE1 4.49Å; L355-F373 HydrophobicContact CD1-CG 4.16Å; L355-F373 HydrophobicContact CD2-CD1 3.25Å; L355-F373 HydrophobicContact CD2-CD2 4.28Å; L355-F373 HydrophobicContact CD2-CE1 3.03Å; L355-F373 HydrophobicContact CD2-CE2 4.18Å; L355-F373 HydrophobicContact CD2-CG 3.94Å; L355-F373 HydrophobicContact CD2-CZ 3.6Å; L355-F373 HydrophobicContact CG-CD1 4.13Å; L355-F373 HydrophobicContact CG-CE1 4.32Å; S371-F373 PolarHBondContact O-N 3.36Å; S371-F373 VanDerWaalsContact OG-CB 3.32Å; S371-F373 WeakPolarHBondContact OG-CB 3.5Å; S371-F373 WeakPolarHBondContact OG-CD2 3.16Å; S371-F373 WeakPolarHBondContact OG-CG 3.16Å; S371-F373 PolarHBondContact OG-N 3.47Å; F373-V383 HydrophobicContact CD1-CB 4.16Å; F373-V383 HydrophobicContact CD1-CG1 3.32Å; F373-V383 HydrophobicContact CD1-CG2 4.01Å; F373-V383 HydrophobicContact CE1-CB 4.42Å; F373-V383 HydrophobicContact CE1-CG1 3.41Å; F373-V383 VanDerWaalsContact CE1-CG1 3.41Å; F373-W386 HydrophobicContact CD2-CZ3 4.38Å; F373-W386 HydrophobicContact CE1-CE3 4.39Å; F373-W386 HydrophobicContact CE1-CZ3 4.45Å; F373-W386 HydrophobicContact CE2-CE3 4.07Å; F373-W386 HydrophobicContact CE2-CH2 4.14Å; F373-W386 AromaticContact CE2-CZ3 3.39Å; F373-W386 HydrophobicContact CE2-CZ3 3.39Å; F373-W386 AromaticContact CZ-CE3 3.75Å; F373-W386 HydrophobicContact CZ-CE3 3.75Å; F373-W386 AromaticContact CZ-CZ3 3.44Å; F373-W386 HydrophobicContact CZ-CZ3 3.44Å; F373-W386 VanDerWaalsContact CZ-CZ3 3.44Å; F373-L387 HydrophobicContact CZ-CB 4.48Å; F373-L387 HydrophobicContact CZ-CD1 4.44Å
374	L	54.3	Low	57.8	Low	20 Å²	20	75.7 Å²	75.7	11%	0.105	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	78	35.7	167.4	-44.8	157.2	0	0	0	113.7	D52 E53 L54 P372	D52-L374 WeakPolarHBondContact OD2-CD2 3.46Å; E53-L374 HydrophobicContact CB-CB 4.4Å; E53-L374 HydrophobicContact CB-CD1 3.41Å; E53-L374 VanDerWaalsContact CB-CD1 3.41Å; E53-L374 HydrophobicContact CB-CD2 3.65Å; E53-L374 HydrophobicContact CB-CG 3.95Å; E53-L374 HydrophobicContact CG-CD1 4.12Å; E53-L374 HydrophobicContact CG-CD2 3.72Å; E53-L374 HydrophobicContact CG-CG 4.48Å; L54-L374 WeakPolarHBondContact CD1-O 3.32Å; L54-L374 HydrophobicContact CD2-CB 4.2Å; L54-L374 VanDerWaalsContact CD2-O 3.27Å; L54-L374 WeakPolarHBondContact CD2-O 3.31Å; L54-L374 HydrophobicContact CG-CB 4.32Å; L54-L374 WeakPolarHBondContact CG-O 3.24Å; P372-L374 PolarHBondContact O-N 3.32Å
375	E	59.9	Low	58.3	Low	70 Å²	70	77.4 Å²	77.4	33%	0.327	39%	0.385	S	S	.	.			trans	-79.4	147.6	165.1	-65.3	-156.1	123.3	0	0	111.4	R85 P372 E377 K378	R85-E375 IonicContact CZ-OE1 3.96Å; R85-E375 IonicContact NE-OE1 2.76Å; R85-E375 IonicContact NH2-OE1 3.73Å; P372-E375 PolarHBondContact O-N 3.39Å; E375-E377 PolarHBondContact O-N 2.95Å; E375-E377 VanDerWaalsContact O-N 3.16Å; E375-K378 HydrophobicContact CB-CB 4.46Å; E375-K378 HydrophobicContact CB-CD 4Å; E375-K378 HydrophobicContact CB-CG 4.03Å; E375-K378 HydrophobicContact CG-CD 4.48Å; E375-K378 PolarHBondContact O-N 3.42Å; E375-K378 VanDerWaalsContact OE2-CE 3.31Å; E375-K378 WeakPolarHBondContact OE2-CE 3.06Å; E375-K378 IonicContact OE2-NZ 3.8Å; E375-K378 PolarHBondContact OE2-NZ 3.01Å
376	I	57.4	Low	59.1	Low	24 Å²	24	75.7 Å²	75.7	12%	0.123	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	125.5	174.3	-54.9	167.1	0	0	0	107.2	F51 L54 I76 Y107 L132	F51-I376 HydrophobicContact CD1-CG1 4.15Å; F51-I376 HydrophobicContact CE1-CB 4.49Å; F51-I376 HydrophobicContact CE1-CG1 4.33Å; F51-I376 HydrophobicContact CE1-CG2 4.16Å; F51-I376 HydrophobicContact CZ-CG2 4.38Å; L54-I376 HydrophobicContact CD1-CG1 4.08Å; I76-I376 HydrophobicContact CD1-CD1 3.81Å; Y107-I376 HydrophobicContact CD1-CG2 4.15Å; Y107-I376 HydrophobicContact CE1-CG2 4.09Å; L132-I376 HydrophobicContact CB-CD1 4.2Å; L132-I376 HydrophobicContact CB-CG2 4.35Å
377	E	62.7	Low	59.9	Low	110 Å²	110	74.8 Å²	74.8	51%	0.514	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-11.1	-176.1	-44.8	-164.1	139.3	0	0	118.1	R133 E375 S379	R133-E377 WeakPolarHBondContact CD-OE1 3.48Å; R133-E377 VanDerWaalsContact CG-OE1 3.26Å; R133-E377 WeakPolarHBondContact CG-OE1 3.37Å; R133-E377 IonicContact CZ-OE1 3.85Å; R133-E377 IonicContact NE-OE1 3.42Å; R133-E377 IonicContact NH1-OE1 3.97Å; R133-E377 PolarHBondContact NH1-OE1 2.93Å; E375-E377 PolarHBondContact O-N 2.95Å; E375-E377 VanDerWaalsContact O-N 3.16Å; E377-S379 PolarHBondContact O-N 3.39Å
378	K	62	Low	60.9	Low	90 Å²	90	68.6 Å²	68.6	39%	0.391	35%	0.347	S	S	.	.			trans	-78.2	124.4	176	-68.3	-165.2	178.9	158.5	0	110.8	P372 E375 D382	P372-K378 HydrophobicContact CB-CD 3.4Å; P372-K378 VanDerWaalsContact CB-CD 3.4Å; E375-K378 HydrophobicContact CB-CB 4.46Å; E375-K378 HydrophobicContact CB-CD 4Å; E375-K378 HydrophobicContact CB-CG 4.03Å; E375-K378 HydrophobicContact CG-CD 4.48Å; E375-K378 PolarHBondContact O-N 3.42Å; E375-K378 VanDerWaalsContact OE2-CE 3.31Å; E375-K378 WeakPolarHBondContact OE2-CE 3.06Å; E375-K378 IonicContact OE2-NZ 3.8Å; E375-K378 PolarHBondContact OE2-NZ 3.01Å; K378-D382 HydrophobicContact CB-CB 4.38Å
379	S	63.1	Low	61.9	Low	49 Å²	49	66.1 Å²	66.1	34%	0.343	34%	0.34	S	S	.	.			trans	-75.8	162.3	176.4	71.3	0	0	0	0	111.2	E377 T381 D382 V383	E377-S379 PolarHBondContact O-N 3.39Å; S379-T381 PolarHBondContact O-N 2.9Å; S379-T381 VanDerWaalsContact O-N 3.11Å; S379-T381 WeakPolarHBondContact OG-CB 3.48Å; S379-T381 PolarHBondContact OG-N 3.18Å; S379-D382 WeakPolarHBondContact CB-OD2 3.34Å; S379-D382 PolarHBondContact N-OD2 2.99Å; S379-D382 PolarHBondContact O-N 3.04Å; S379-D382 PolarHBondContact OG-N 3.38Å; S379-D382 PolarHBondContact OG-OD2 3.1Å; S379-V383 PolarHBondContact O-N 3.1Å
380	N	65.3	Low	62.8	Low	114 Å²	114	62 Å²	62	61%	0.61	32%	0.321	S	S	*	.	H	α-helix	trans	-53.9	-30	168.9	-70.1	-24.8	0	0	0	112.1	V383 I384	N380-V383 WeakPolarHBondContact O-CB 3.27Å; N380-I384 WeakPolarHBondContact O-CG1 3.38Å; N380-I384 PolarHBondContact O-N 2.9Å; N380-I384 VanDerWaalsContact O-N 3.1Å
381	T	67.7	Low	63.8	Low	80 Å²	80	59.9 Å²	59.9	49%	0.491	31%	0.308	S	S	.	.	H	α-helix	trans	-69.5	-41.8	177.2	-53.2	0	0	0	0	111.8	S379 V383 I384 K385	S379-T381 PolarHBondContact O-N 2.9Å; S379-T381 VanDerWaalsContact O-N 3.11Å; S379-T381 WeakPolarHBondContact OG-CB 3.48Å; S379-T381 PolarHBondContact OG-N 3.18Å; T381-V383 VanDerWaalsContact C-N 3.27Å; T381-V383 PolarHBondContact O-N 2.9Å; T381-I384 PolarHBondContact O-N 3.5Å; T381-K385 HydrophobicContact CG2-CD 4.25Å; T381-K385 HydrophobicContact CG2-CG 4.43Å; T381-K385 WeakPolarHBondContact O-CB 3.31Å; T381-K385 WeakPolarHBondContact O-CG 3.35Å; T381-K385 PolarHBondContact O-N 3.17Å
382	D	67.9	Low	65	Low	64 Å²	64	67 Å²	67	34%	0.342	33%	0.33	S	S	.	.	H	α-helix	trans	-65.4	-38.4	179.7	-56.5	-45.8	0	0	0	111	K378 S379 K385 W386	K378-D382 HydrophobicContact CB-CB 4.38Å; S379-D382 WeakPolarHBondContact CB-OD2 3.34Å; S379-D382 PolarHBondContact N-OD2 2.99Å; S379-D382 PolarHBondContact O-N 3.04Å; S379-D382 PolarHBondContact OG-N 3.38Å; S379-D382 PolarHBondContact OG-OD2 3.1Å; D382-K385 PolarHBondContact O-N 3.32Å; D382-W386 WeakPolarHBondContact O-CB 3.34Å; D382-W386 PolarHBondContact O-N 3.24Å
383	V	66.5	Low	65.8	Low	16 Å²	16	73.6 Å²	73.6	10%	0.097	36%	0.36	C	S	.	.	H	α-helix	trans	-57.2	-49.6	171.5	156.5	0	0	0	0	112	L355 P372 F373 S379 N380 T381 L387	L355-V383 HydrophobicContact CD2-CG1 4.43Å; P372-V383 WeakPolarHBondContact O-CG2 3.49Å; F373-V383 HydrophobicContact CD1-CB 4.16Å; F373-V383 HydrophobicContact CD1-CG1 3.32Å; F373-V383 HydrophobicContact CD1-CG2 4.01Å; F373-V383 HydrophobicContact CE1-CB 4.42Å; F373-V383 HydrophobicContact CE1-CG1 3.41Å; F373-V383 VanDerWaalsContact CE1-CG1 3.41Å; S379-V383 PolarHBondContact O-N 3.1Å; N380-V383 WeakPolarHBondContact O-CB 3.27Å; T381-V383 VanDerWaalsContact C-N 3.27Å; T381-V383 PolarHBondContact O-N 2.9Å; V383-L387 PolarHBondContact O-N 3.11Å; V383-L387 VanDerWaalsContact O-N 3.15Å
384	I	68.3	Low	66.3	Low	106 Å²	106	79.8 Å²	79.8	54%	0.544	40%	0.399	S	S	.	.	H	α-helix	trans	-67.2	-44.2	178.6	-69.4	168.2	0	0	0	110.9	N380 T381 W386 L387 V388	N380-I384 WeakPolarHBondContact O-CG1 3.38Å; N380-I384 PolarHBondContact O-N 2.9Å; N380-I384 VanDerWaalsContact O-N 3.1Å; T381-I384 PolarHBondContact O-N 3.5Å; I384-W386 PolarHBondContact O-N 3.12Å; I384-L387 WeakPolarHBondContact O-CB 3.2Å; I384-L387 PolarHBondContact O-N 2.96Å; I384-L387 VanDerWaalsContact O-N 3.16Å; I384-V388 HydrophobicContact CG2-CG2 4.3Å; I384-V388 WeakPolarHBondContact O-CG2 3.04Å; I384-V388 PolarHBondContact O-N 3.06Å
385	K	72	Confident	66.9	Low	121 Å²	121	82.8 Å²	82.8	53%	0.526	41%	0.414	S	S	.	.	H	α-helix	trans	-57.3	-51.2	179	-78.5	175.6	177.2	174.7	0	111.3	T381 D382 L387 V388 D389	T381-K385 HydrophobicContact CG2-CD 4.25Å; T381-K385 HydrophobicContact CG2-CG 4.43Å; T381-K385 WeakPolarHBondContact O-CB 3.31Å; T381-K385 WeakPolarHBondContact O-CG 3.35Å; T381-K385 PolarHBondContact O-N 3.17Å; D382-K385 PolarHBondContact O-N 3.32Å; K385-L387 VanDerWaalsContact C-N 3.27Å; K385-L387 PolarHBondContact O-N 3.1Å; K385-V388 PolarHBondContact O-N 3.41Å; K385-V388 VanDerWaalsContact O-N 3.16Å; K385-D389 VanDerWaalsContact O-CG 3.32Å; K385-D389 PolarHBondContact O-N 3.31Å
386	W	71.8	Confident	67.3	Low	59 Å²	59	83.4 Å²	83.4	22%	0.223	42%	0.418	C	S	.	.	H	α-helix	trans	-57.8	-42.3	176.5	175	91.8	0	0	0	112	M362 D370 P372 F373 D382 I384 V388 D389 Q390	M362-W386 HydrophobicContact CE-CH2 4.1Å; D370-W386 PolarHBondContact O-NE1 3.07Å; P372-W386 HydrophobicContact CB-CG 4.49Å; P372-W386 HydrophobicContact CG-CB 3.49Å; P372-W386 VanDerWaalsContact CG-CB 3.49Å; P372-W386 HydrophobicContact CG-CD2 3.48Å; P372-W386 VanDerWaalsContact CG-CD2 3.48Å; P372-W386 HydrophobicContact CG-CE3 3.85Å; P372-W386 HydrophobicContact CG-CG 3.32Å; F373-W386 HydrophobicContact CD2-CZ3 4.38Å; F373-W386 HydrophobicContact CE1-CE3 4.39Å; F373-W386 HydrophobicContact CE1-CZ3 4.45Å; F373-W386 HydrophobicContact CE2-CE3 4.07Å; F373-W386 HydrophobicContact CE2-CH2 4.14Å; F373-W386 AromaticContact CE2-CZ3 3.39Å; F373-W386 HydrophobicContact CE2-CZ3 3.39Å; F373-W386 AromaticContact CZ-CE3 3.75Å; F373-W386 HydrophobicContact CZ-CE3 3.75Å; F373-W386 AromaticContact CZ-CZ3 3.44Å; F373-W386 HydrophobicContact CZ-CZ3 3.44Å; F373-W386 VanDerWaalsContact CZ-CZ3 3.44Å; D382-W386 WeakPolarHBondContact O-CB 3.34Å; D382-W386 PolarHBondContact O-N 3.24Å; I384-W386 PolarHBondContact O-N 3.12Å; W386-V388 VanDerWaalsContact C-N 3.34Å; W386-V388 PolarHBondContact O-N 3.47Å; W386-D389 PolarHBondContact O-N 3.07Å; W386-Q390 HydrophobicContact CD2-CG 3.81Å; W386-Q390 HydrophobicContact CE3-CG 4.13Å; W386-Q390 HydrophobicContact CG-CG 4.42Å; W386-Q390 HydrophobicContact CH2-CG 3.94Å; W386-Q390 HydrophobicContact CZ2-CG 3.63Å; W386-Q390 HydrophobicContact CZ3-CG 4.16Å; W386-Q390 VanDerWaalsContact O-CG 3.3Å; W386-Q390 WeakPolarHBondContact O-CG 3.18Å; W386-Q390 PolarHBondContact O-N 3.18Å
387	L	68.1	Low	67.8	Low	24 Å²	24	86.7 Å²	86.7	13%	0.126	43%	0.434	C	S	.	.	H	α-helix	trans	-62.5	-44.4	178.6	179.9	63.1	0	0	0	111.7	I358 M362 F373 V383 I384 K385 D389 Q390 L391	I358-L387 HydrophobicContact CD1-CD2 3.66Å; I358-L387 HydrophobicContact CG1-CD2 4.37Å; I358-L387 HydrophobicContact CG2-CD1 3.22Å; I358-L387 HydrophobicContact CG2-CD2 3.93Å; I358-L387 HydrophobicContact CG2-CG 4.2Å; M362-L387 HydrophobicContact SD-CD1 4.46Å; F373-L387 HydrophobicContact CZ-CB 4.48Å; F373-L387 HydrophobicContact CZ-CD1 4.44Å; V383-L387 PolarHBondContact O-N 3.11Å; V383-L387 VanDerWaalsContact O-N 3.15Å; I384-L387 WeakPolarHBondContact O-CB 3.2Å; I384-L387 PolarHBondContact O-N 2.96Å; I384-L387 VanDerWaalsContact O-N 3.16Å; K385-L387 VanDerWaalsContact C-N 3.27Å; K385-L387 PolarHBondContact O-N 3.1Å; L387-D389 VanDerWaalsContact C-N 3.31Å; L387-D389 PolarHBondContact O-N 3.48Å; L387-Q390 PolarHBondContact O-N 2.82Å; L387-L391 HydrophobicContact CD1-CD1 4.36Å; L387-L391 HydrophobicContact CD1-CG 4.32Å; L387-L391 HydrophobicContact CG-CD1 4.09Å; L387-L391 HydrophobicContact CG-CG 4.47Å; L387-L391 WeakPolarHBondContact O-CG 3.41Å; L387-L391 PolarHBondContact O-N 3.02Å
388	V	73.4	Confident	68.1	Low	58 Å²	58	85.4 Å²	85.4	35%	0.352	43%	0.43	S	S	.	.	H	α-helix	trans	-60.5	-43.4	176.1	170.7	0	0	0	0	110.6	I384 K385 W386 Q390 L391 R392	I384-V388 HydrophobicContact CG2-CG2 4.3Å; I384-V388 WeakPolarHBondContact O-CG2 3.04Å; I384-V388 PolarHBondContact O-N 3.06Å; K385-V388 PolarHBondContact O-N 3.41Å; K385-V388 VanDerWaalsContact O-N 3.16Å; W386-V388 VanDerWaalsContact C-N 3.34Å; W386-V388 PolarHBondContact O-N 3.47Å; V388-Q390 VanDerWaalsContact C-N 3.34Å; V388-Q390 PolarHBondContact O-N 3.1Å; V388-L391 PolarHBondContact O-N 3.28Å; V388-R392 VanDerWaalsContact O-CG 3.32Å; V388-R392 WeakPolarHBondContact O-CG 3.34Å; V388-R392 PolarHBondContact O-N 3.1Å
389	D	72.7	Confident	68.5	Low	79 Å²	79	85.1 Å²	85.1	42%	0.422	43%	0.432	S	S	.	.	H	α-helix	trans	-64	-39.5	178.3	-68.5	-24.1	0	0	0	111.9	K385 W386 L387 R392 Q393	K385-D389 VanDerWaalsContact O-CG 3.32Å; K385-D389 PolarHBondContact O-N 3.31Å; W386-D389 PolarHBondContact O-N 3.07Å; L387-D389 VanDerWaalsContact C-N 3.31Å; L387-D389 PolarHBondContact O-N 3.48Å; D389-R392 PolarHBondContact O-N 3.17Å; D389-Q393 WeakPolarHBondContact O-CG 3.48Å; D389-Q393 PolarHBondContact O-N 3.06Å
390	Q	68	Low	68.9	Low	35 Å²	35	87.5 Å²	87.5	16%	0.164	44%	0.438	C	S	.	.	H	α-helix	trans	-67.1	-41.1	174.9	-71.3	-58.3	-74.6	0	0	112.8	M362 F366 W386 L387 V388 R392 Q393	M362-Q390 HydrophobicContact CE-CB 3.41Å; M362-Q390 VanDerWaalsContact CE-CB 3.41Å; M362-Q390 HydrophobicContact CE-CG 3.68Å; M362-Q390 HydrophobicContact SD-CB 4.25Å; F366-Q390 WeakPolarHBondContact CE1-O 3.34Å; F366-Q390 WeakPolarHBondContact CZ-O 3.23Å; W386-Q390 HydrophobicContact CD2-CG 3.81Å; W386-Q390 HydrophobicContact CE3-CG 4.13Å; W386-Q390 HydrophobicContact CG-CG 4.42Å; W386-Q390 HydrophobicContact CH2-CG 3.94Å; W386-Q390 HydrophobicContact CZ2-CG 3.63Å; W386-Q390 HydrophobicContact CZ3-CG 4.16Å; W386-Q390 VanDerWaalsContact O-CG 3.3Å; W386-Q390 WeakPolarHBondContact O-CG 3.18Å; W386-Q390 PolarHBondContact O-N 3.18Å; L387-Q390 PolarHBondContact O-N 2.82Å; V388-Q390 VanDerWaalsContact C-N 3.34Å; V388-Q390 PolarHBondContact O-N 3.1Å; Q390-R392 VanDerWaalsContact C-N 3.3Å; Q390-R392 PolarHBondContact O-N 2.69Å; Q390-Q393 PolarHBondContact O-N 2.89Å
391	L	68.6	Low	69.1	Low	82 Å²	82	85.6 Å²	85.6	43%	0.429	43%	0.426	S	S	.	.	H	α-helix	trans	-67.3	-30.6	177	-72.4	173.2	0	0	0	112.4	F361 L387 V388 Q393 V394	F361-L391 HydrophobicContact CE1-CD2 4.17Å; L387-L391 HydrophobicContact CD1-CD1 4.36Å; L387-L391 HydrophobicContact CD1-CG 4.32Å; L387-L391 HydrophobicContact CG-CD1 4.09Å; L387-L391 HydrophobicContact CG-CG 4.47Å; L387-L391 WeakPolarHBondContact O-CG 3.41Å; L387-L391 PolarHBondContact O-N 3.02Å; V388-L391 PolarHBondContact O-N 3.28Å; L391-Q393 VanDerWaalsContact C-N 3.25Å; L391-Q393 PolarHBondContact O-N 3.46Å; L391-V394 PolarHBondContact O-N 3.14Å
392	R	73.4	Confident	69.2	Low	187 Å²	187	86 Å²	86	71%	0.706	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.2	175.4	-77.4	173.4	174.7	-179.8	-3	114.1	V388 D389 Q390	V388-R392 VanDerWaalsContact O-CG 3.32Å; V388-R392 WeakPolarHBondContact O-CG 3.34Å; V388-R392 PolarHBondContact O-N 3.1Å; D389-R392 PolarHBondContact O-N 3.17Å; Q390-R392 VanDerWaalsContact C-N 3.3Å; Q390-R392 PolarHBondContact O-N 2.69Å
393	Q	67.4	Low	69.3	Low	143 Å²	143	87.8 Å²	87.8	67%	0.668	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.7	176.7	-69.2	176.2	11.1	0	0	112.7	D389 Q390 L391	D389-Q393 WeakPolarHBondContact O-CG 3.48Å; D389-Q393 PolarHBondContact O-N 3.06Å; Q390-Q393 PolarHBondContact O-N 2.89Å; L391-Q393 VanDerWaalsContact C-N 3.25Å; L391-Q393 PolarHBondContact O-N 3.46Å
394	V	62.2	Low	69.6	Low	144 Å²	144	94.4 Å²	94.4	87%	0.873	46%	0.457	S	S	*	.			trans	-103.7	0	171	-170.6	0	0	0	0	108.6	F366 L391	F366-V394 HydrophobicContact CE1-CG2 3.9Å; F366-V394 HydrophobicContact CE2-CG2 4.05Å; F366-V394 HydrophobicContact CZ-CG2 3.2Å; L391-V394 PolarHBondContact O-N 3.14Å

Retrieved 394 of 394 residues in 770.2 ms (Link to these results)

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