A0A3B3VNW4_9TELE Loading...

F-box and leucine-rich repeat protein 4

AlphaFold DB , UniProt , Accession A0A3B3VNW4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 613 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	34.4	Very low	34.5	Very low	195 Å²	195	125.5 Å²	125.5	96%	0.961	62%	0.618	S	S	*	*				0	-39.5	0	-97.1	-158	143.8	0	0	114.1	T3 L4 L5	M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.15Å; M1-L4 PolarHBondContact O-N 3.12Å; M1-L5 PolarHBondContact O-N 2.89Å
2	L	28	Very low	34.8	Very low	159 Å²	159	120.3 Å²	120.3	83%	0.832	60%	0.602	S	S	*	*	H	α-helix	trans	-63.8	-22.8	178.7	-87.8	128.4	0	0	0	115.4	S6	L2-S6 WeakPolarHBondContact O-CB 3.28Å; L2-S6 PolarHBondContact O-N 3.31Å; L2-S6 VanDerWaalsContact O-N 3.11Å; L2-S6 PolarHBondContact O-OG 3.21Å
3	T	38.6	Very low	34.8	Very low	104 Å²	104	117.3 Å²	117.3	64%	0.638	59%	0.588	S	S	*	*	H	α-helix	trans	-82	-30.4	179.6	42.8	0	0	0	0	114.5	M1 S6 M7	M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.15Å; T3-S6 PolarHBondContact O-OG 3.07Å; T3-S6 VanDerWaalsContact O-OG 3.12Å; T3-M7 WeakPolarHBondContact O-CB 3.14Å; T3-M7 PolarHBondContact O-N 3.36Å; T3-M7 VanDerWaalsContact O-N 3.08Å
4	L	35.2	Very low	35.5	Very low	123 Å²	123	118.6 Å²	118.6	64%	0.644	58%	0.583	S	S	*	*	H	α-helix	trans	-76.3	-40	175.7	-91.1	157	0	0	0	111.5	M1 M7 F8	M1-L4 PolarHBondContact O-N 3.12Å; L4-M7 PolarHBondContact O-N 2.66Å; L4-F8 WeakPolarHBondContact O-CB 3.15Å; L4-F8 PolarHBondContact O-N 2.92Å
5	L	31.6	Very low	36	Very low	122 Å²	122	121 Å²	121	64%	0.639	58%	0.583	S	S	*	*	H	α-helix	trans	-68.2	-37	173.1	-86.9	153.8	0	0	0	111.6	M1 Y9	M1-L5 PolarHBondContact O-N 2.89Å; L5-Y9 WeakPolarHBondContact O-CB 3.44Å; L5-Y9 PolarHBondContact O-N 3.21Å
6	S	28.9	Very low	36	Very low	63 Å²	63	125.5 Å²	125.5	44%	0.441	59%	0.592	S	S	.	*	H	α-helix	trans	-68.8	-37.2	174.5	76.6	0	0	0	0	112.2	L2 T3 Y9 Y10	L2-S6 WeakPolarHBondContact O-CB 3.28Å; L2-S6 PolarHBondContact O-N 3.31Å; L2-S6 VanDerWaalsContact O-N 3.11Å; L2-S6 PolarHBondContact O-OG 3.21Å; T3-S6 PolarHBondContact O-OG 3.07Å; T3-S6 VanDerWaalsContact O-OG 3.12Å; S6-Y9 PolarHBondContact O-N 3.17Å; S6-Y10 VanDerWaalsContact O-CB 3.29Å; S6-Y10 WeakPolarHBondContact O-CB 3.45Å; S6-Y10 PolarHBondContact O-N 3.46Å
7	M	33.8	Very low	35.9	Very low	92 Å²	92	121.1 Å²	121.1	45%	0.453	58%	0.578	S	S	.	*	H	α-helix	trans	-66.4	-45.3	172.7	-101.4	-167.2	69.6	0	0	112.7	T3 L4 Y9 Y10 I11	T3-M7 WeakPolarHBondContact O-CB 3.14Å; T3-M7 PolarHBondContact O-N 3.36Å; T3-M7 VanDerWaalsContact O-N 3.08Å; L4-M7 PolarHBondContact O-N 2.66Å; M7-Y9 VanDerWaalsContact C-N 3.32Å; M7-Y9 PolarHBondContact O-N 3.03Å; M7-Y10 PolarHBondContact O-N 3.18Å; M7-I11 HydrophobicContact CE-CD1 4.06Å; M7-I11 WeakPolarHBondContact O-CB 3.49Å; M7-I11 WeakPolarHBondContact O-CD1 3.42Å; M7-I11 WeakPolarHBondContact O-CG1 3.48Å; M7-I11 PolarHBondContact O-N 3.18Å
8	F	37.8	Very low	36.2	Very low	139 Å²	139	121.1 Å²	121.1	61%	0.61	57%	0.571	S	S	*	*	H	α-helix	trans	-63.7	-39.9	174.9	-109.6	-89.7	0	0	0	111.5	L4 I11 C12	L4-F8 WeakPolarHBondContact O-CB 3.15Å; L4-F8 PolarHBondContact O-N 2.92Å; F8-I11 PolarHBondContact O-N 2.67Å; F8-C12 WeakPolarHBondContact O-CB 3.45Å; F8-C12 PolarHBondContact O-N 3.19Å; F8-C12 PolarHBondContact O-SG 2.95Å
9	Y	31.6	Very low	36.3	Very low	163 Å²	163	118.7 Å²	118.7	64%	0.639	57%	0.569	S	S	*	*	H	α-helix	trans	-63.9	-40.2	173.9	-171.9	-108.3	0	0	0	111.3	L5 S6 M7 L13	L5-Y9 WeakPolarHBondContact O-CB 3.44Å; L5-Y9 PolarHBondContact O-N 3.21Å; S6-Y9 PolarHBondContact O-N 3.17Å; M7-Y9 VanDerWaalsContact C-N 3.32Å; M7-Y9 PolarHBondContact O-N 3.03Å; Y9-L13 HydrophobicContact CD1-CD1 3.42Å; Y9-L13 VanDerWaalsContact CD1-CD1 3.42Å; Y9-L13 HydrophobicContact CD2-CD1 3.9Å; Y9-L13 HydrophobicContact CE1-CD1 3.1Å; Y9-L13 HydrophobicContact CE2-CD1 3.6Å; Y9-L13 HydrophobicContact CG-CD1 3.81Å; Y9-L13 WeakPolarHBondContact O-CB 3.33Å; Y9-L13 WeakPolarHBondContact O-CD1 3.28Å; Y9-L13 PolarHBondContact O-N 3.44Å
10	Y	36	Very low	36.1	Very low	162 Å²	162	115.6 Å²	115.6	64%	0.635	57%	0.57	S	S	*	*	H	α-helix	trans	-71.3	-35.1	176.6	-135.6	-94.2	0	0	0	113	S6 M7 R14	S6-Y10 VanDerWaalsContact O-CB 3.29Å; S6-Y10 WeakPolarHBondContact O-CB 3.45Å; S6-Y10 PolarHBondContact O-N 3.46Å; M7-Y10 PolarHBondContact O-N 3.18Å; Y10-R14 WeakPolarHBondContact O-CB 3.27Å; Y10-R14 PolarHBondContact O-N 3.41Å
11	I	43.8	Very low	35.9	Very low	59 Å²	59	116 Å²	116	30%	0.303	58%	0.578	S	S	.	*	H	α-helix	trans	-69.3	-44.5	173.6	-69.6	163.5	0	0	0	109.9	M7 F8 R14 R15	M7-I11 HydrophobicContact CE-CD1 4.06Å; M7-I11 WeakPolarHBondContact O-CB 3.49Å; M7-I11 WeakPolarHBondContact O-CD1 3.42Å; M7-I11 WeakPolarHBondContact O-CG1 3.48Å; M7-I11 PolarHBondContact O-N 3.18Å; F8-I11 PolarHBondContact O-N 2.67Å; I11-R14 PolarHBondContact O-N 3.37Å; I11-R15 VanDerWaalsContact O-CB 3.25Å; I11-R15 WeakPolarHBondContact O-CB 3.44Å; I11-R15 VanDerWaalsContact O-CG 3.29Å; I11-R15 WeakPolarHBondContact O-CG 3.38Å; I11-R15 PolarHBondContact O-N 2.9Å
12	C	38.4	Very low	36.2	Very low	63 Å²	63	113.6 Å²	113.6	43%	0.426	56%	0.559	S	S	.	*	H	α-helix	trans	-66.8	-36	173.9	-72.2	0	0	0	0	112	F8 R16	F8-C12 WeakPolarHBondContact O-CB 3.45Å; F8-C12 PolarHBondContact O-N 3.19Å; F8-C12 PolarHBondContact O-SG 2.95Å; C12-R16 WeakPolarHBondContact O-CB 3.42Å; C12-R16 WeakPolarHBondContact O-CG 3.44Å; C12-R16 PolarHBondContact O-N 3.38Å
13	L	34.6	Very low	36.4	Very low	81 Å²	81	109 Å²	109	42%	0.424	55%	0.549	S	S	.	.	H	α-helix	trans	-73.6	-31.8	174.2	-105.3	118.8	0	0	0	113.1	Y9 R16 S17	Y9-L13 HydrophobicContact CD1-CD1 3.42Å; Y9-L13 VanDerWaalsContact CD1-CD1 3.42Å; Y9-L13 HydrophobicContact CD2-CD1 3.9Å; Y9-L13 HydrophobicContact CE1-CD1 3.1Å; Y9-L13 HydrophobicContact CE2-CD1 3.6Å; Y9-L13 HydrophobicContact CG-CD1 3.81Å; Y9-L13 WeakPolarHBondContact O-CB 3.33Å; Y9-L13 WeakPolarHBondContact O-CD1 3.28Å; Y9-L13 PolarHBondContact O-N 3.44Å; L13-R16 CarbonylContact O-C 3.58Å; L13-S17 WeakPolarHBondContact O-CA 3.36Å; L13-S17 WeakPolarHBondContact O-CB 3.35Å; L13-S17 PolarHBondContact O-N 3.02Å; L13-S17 PolarHBondContact O-OG 3.32Å
14	R	44	Very low	36.3	Very low	136 Å²	136	113.1 Å²	113.1	51%	0.513	56%	0.561	S	S	.	*	H	α-helix	trans	-77.5	-35.7	172.2	-95.9	-172.4	167.3	-166.8	-3.8	112.5	Y10 I11 R16 S17 R18	Y10-R14 WeakPolarHBondContact O-CB 3.27Å; Y10-R14 PolarHBondContact O-N 3.41Å; I11-R14 PolarHBondContact O-N 3.37Å; R14-R16 VanDerWaalsContact C-N 3.34Å; R14-S17 PolarHBondContact O-N 3.13Å; R14-S17 PolarHBondContact O-OG 2.96Å; R14-R18 PolarHBondContact O-N 3.28Å
15	R	43.5	Very low	36.7	Very low	154 Å²	154	111.4 Å²	111.4	58%	0.581	57%	0.565	S	S	*	*	H	α-helix	trans	-62.6	-42	168.3	-77.4	-178.8	170.6	-171.8	-4.6	110.6	I11 S19	I11-R15 VanDerWaalsContact O-CB 3.25Å; I11-R15 WeakPolarHBondContact O-CB 3.44Å; I11-R15 VanDerWaalsContact O-CG 3.29Å; I11-R15 WeakPolarHBondContact O-CG 3.38Å; I11-R15 PolarHBondContact O-N 2.9Å; R15-S19 PolarHBondContact O-N 3.46Å; R15-S19 PolarHBondContact O-OG 3.23Å
16	R	35.9	Very low	38	Very low	193 Å²	193	108.7 Å²	108.7	73%	0.728	55%	0.551	S	S	*	*	H	α-helix	trans	-73.5	-30.7	172.7	-81.2	-177.7	171.4	-179.8	-2.5	114.3	C12 L13 R14 S19 G20	C12-R16 WeakPolarHBondContact O-CB 3.42Å; C12-R16 WeakPolarHBondContact O-CG 3.44Å; C12-R16 PolarHBondContact O-N 3.38Å; L13-R16 CarbonylContact O-C 3.58Å; R14-R16 VanDerWaalsContact C-N 3.34Å; R16-S19 WeakPolarHBondContact CA-OG 3.5Å; R16-S19 CarbonylContact O-C 3.45Å; R16-S19 PolarHBondContact O-N 2.92Å; R16-S19 PolarHBondContact O-OG 3.47Å; R16-G20 VanDerWaalsContact O-CA 3.28Å; R16-G20 WeakPolarHBondContact O-CA 3.35Å; R16-G20 PolarHBondContact O-N 3.11Å
17	S	33.9	Very low	39.2	Very low	51 Å²	51	107.8 Å²	107.8	36%	0.357	54%	0.543	S	S	.	.	H	α-helix	trans	-76	-31.7	178.3	79.7	0	0	0	0	110.7	L13 R14 S19 G20 T21	L13-S17 WeakPolarHBondContact O-CA 3.36Å; L13-S17 WeakPolarHBondContact O-CB 3.35Å; L13-S17 PolarHBondContact O-N 3.02Å; L13-S17 PolarHBondContact O-OG 3.32Å; R14-S17 PolarHBondContact O-N 3.13Å; R14-S17 PolarHBondContact O-OG 2.96Å; S17-S19 VanDerWaalsContact C-N 3.3Å; S17-G20 PolarHBondContact O-N 2.92Å; S17-T21 PolarHBondContact O-N 3.31Å; S17-T21 VanDerWaalsContact O-N 3.09Å; S17-T21 PolarHBondContact O-OG1 3.45Å
18	R	41.4	Very low	40.6	Very low	120 Å²	120	105.2 Å²	105.2	45%	0.453	53%	0.534	S	S	.	.	H	α-helix	trans	-65.2	-32	167.8	-78.7	-175	169.1	-171.1	-4.6	112.8	R14 W71	R14-R18 PolarHBondContact O-N 3.28Å; R18-W71 PolarHBondContact NH1-O 2.69Å; R18-W71 VanDerWaalsContact NH1-O 3.16Å
19	S	38.5	Very low	42.1	Very low	77 Å²	77	106 Å²	106	54%	0.538	53%	0.533	S	S	.	.	H	α-helix	trans	-87.4	-15.5	172.4	26.5	0	0	0	0	114.1	R15 R16 S17	R15-S19 PolarHBondContact O-N 3.46Å; R15-S19 PolarHBondContact O-OG 3.23Å; R16-S19 WeakPolarHBondContact CA-OG 3.5Å; R16-S19 CarbonylContact O-C 3.45Å; R16-S19 PolarHBondContact O-N 2.92Å; R16-S19 PolarHBondContact O-OG 3.47Å; S17-S19 VanDerWaalsContact C-N 3.3Å
20	G	31.3	Very low	43.2	Very low	56 Å²	56	105.2 Å²	105.2	58%	0.577	53%	0.528	S	S	*	.	H	α-helix	trans	-107.5	-17.4	-168.3	0	0	0	0	0	115.9	R16 S17	R16-G20 VanDerWaalsContact O-CA 3.28Å; R16-G20 WeakPolarHBondContact O-CA 3.35Å; R16-G20 PolarHBondContact O-N 3.11Å; S17-G20 PolarHBondContact O-N 2.92Å
21	T	32.3	Very low	43.7	Very low	123 Å²	123	101 Å²	101	76%	0.755	53%	0.528	S	S	*	.	S	Bend	trans	-118.7	8.6	178.8	57.2	0	0	0	0	115	S17	S17-T21 PolarHBondContact O-N 3.31Å; S17-T21 VanDerWaalsContact O-N 3.09Å; S17-T21 PolarHBondContact O-OG1 3.45Å
22	R	40.7	Very low	44.2	Very low	146 Å²	146	101.2 Å²	101.2	55%	0.551	53%	0.531	S	S	*	.	S	Bend	trans	-128.8	35.1	169.1	-89.2	-176.3	164.5	176.6	-5.1	111.6	E24	R22-E24 VanDerWaalsContact C-N 3.27Å; R22-E24 PolarHBondContact O-N 3.12Å
23	G	33.7	Very low	44.4	Very low	61 Å²	61	106.8 Å²	106.8	63%	0.629	55%	0.551	S	S	*	*			trans	-76	2	-172	0	0	0	0	0	116.5
24	E	34.9	Very low	44.9	Very low	191 Å²	191	106.9 Å²	106.9	89%	0.893	56%	0.558	S	S	*	*	S	Bend	trans	-115.6	103.3	177.4	-68.2	-177.1	172.3	0	0	108.9	R22	R22-E24 VanDerWaalsContact C-N 3.27Å; R22-E24 PolarHBondContact O-N 3.12Å
25	A	43.5	Very low	44.8	Very low	87 Å²	87	104.2 Å²	104.2	72%	0.719	57%	0.574	S	S	*	*			trans	87	50.4	175.2	0	0	0	0	0	119.2	T27	A25-T27 VanDerWaalsContact C-N 3.3Å
26	L	58.8	Low	44.5	Very low	65 Å²	65	105.2 Å²	105.2	34%	0.34	59%	0.585	S	S	.	*	S	Bend	trans	-80.7	-13.4	158.7	-77.4	168.5	0	0	0	113.6	I76	L26-I76 HydrophobicContact CD2-CG2 4.42Å
27	T	55.3	Low	44.7	Very low	44 Å²	44	108.6 Å²	108.6	27%	0.27	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.1	122.1	-179.4	-50.7	0	0	0	0	107.9	A25 V46 E47 Q48	A25-T27 VanDerWaalsContact C-N 3.3Å; T27-V46 HydrophobicContact CG2-CG1 3.53Å; T27-E47 CarbonylContact C-O 3.55Å; T27-E47 VanDerWaalsContact CA-O 3.3Å; T27-E47 WeakPolarHBondContact CA-O 3.48Å; T27-Q48 HydrophobicContact CG2-CB 4.39Å
28	S	63.1	Low	45	Very low	38 Å²	38	109.6 Å²	109.6	27%	0.266	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.8	144.5	172.7	86.2	0	0	0	0	109.6	E47	S28-E47 PolarHBondContact N-O 2.91Å; S28-E47 PolarHBondContact O-N 3.34Å; S28-E47 WeakPolarHBondContact OG-CB 3.26Å; S28-E47 VanDerWaalsContact OG-CD 3.23Å; S28-E47 PolarHBondContact OG-OE1 2.87Å
29	R	69.1	Low	45	Very low	157 Å²	157	111.4 Å²	111.4	59%	0.592	63%	0.633	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119.7	129.6	-178.4	-70.7	-176.6	-179.5	-177.4	3.8	109.1	V44 E45 E128	R29-V44 HydrophobicContact CB-CG1 3.76Å; R29-V44 HydrophobicContact CG-CG1 4.04Å; R29-E45 WeakPolarHBondContact CA-O 3.43Å; R29-E128 IonicContact NH2-OE1 3.06Å; R29-E128 IonicContact NH2-OE2 2.92Å
30	R	54.2	Low	45.3	Very low	145 Å²	145	113.2 Å²	113.2	55%	0.547	64%	0.636	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127	134.2	176.6	-61.7	-176.5	-171.9	179.3	4.3	109.5	E45 E47	R30-E45 PolarHBondContact N-O 3Å; R30-E45 PolarHBondContact O-N 3.35Å; R30-E47 IonicContact CZ-OE2 2.62Å; R30-E47 IonicContact NH2-OE2 3.4Å
31	A	47.8	Very low	46.2	Very low	75 Å²	75	114.7 Å²	114.7	62%	0.62	64%	0.635	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.4	130.3	171	0	0	0	0	0	109	V42	A31-V42 HydrophobicContact CB-CG1 3.65Å
32	V	52.6	Low	47.2	Very low	62 Å²	62	113.2 Å²	113.2	38%	0.376	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.5	116.1	174.5	-178.2	0	0	0	0	108.3	S43 E45	V32-S43 PolarHBondContact N-O 3.15Å; V32-E45 HydrophobicContact CG2-CB 3.72Å
33	E	42.9	Very low	48.4	Very low	181 Å²	181	108.3 Å²	108.3	85%	0.846	61%	0.614	S	S	*	*			trans	-83.9	115.9	171.7	-73.2	-175.1	168.3	0	0	109.3	G35	E33-G35 PolarHBondContact O-N 3.38Å
34	S	44.6	Very low	50.6	Low	82 Å²	82	108.4 Å²	108.4	57%	0.573	60%	0.602	S	S	*	*			trans	-75	112.1	168.2	61.6	0	0	0	0	109	Q36	S34-Q36 VanDerWaalsContact C-N 3.32Å; S34-Q36 PolarHBondContact O-N 2.92Å
35	G	41.8	Very low	53.2	Low	81 Å²	81	101.3 Å²	101.3	84%	0.835	57%	0.569	S	S	*	*	S	Bend	trans	-63.7	86.6	175.7	0	0	0	0	0	112.5	E33	E33-G35 PolarHBondContact O-N 3.38Å
36	Q	38	Very low	55.5	Low	175 Å²	175	97.1 Å²	97.1	82%	0.818	54%	0.535	S	S	*	.	S	Bend	trans	-172	126.9	151.5	-104.8	169.8	5.9	0	0	107.4	S34 A38	S34-Q36 VanDerWaalsContact C-N 3.32Å; S34-Q36 PolarHBondContact O-N 2.92Å; Q36-A38 VanDerWaalsContact C-N 3.32Å; Q36-A38 PolarHBondContact O-N 3.28Å
37	R	40.8	Very low	57.3	Low	264 Å²	264	95 Å²	95	100%	0.996	52%	0.523	S	S	*	.	S	Bend	trans	-60.5	89.3	178.1	-84.7	178	169.4	170.4	-3.7	110.7
38	A	38.5	Very low	59.2	Low	72 Å²	72	93 Å²	93	60%	0.595	51%	0.511	S	S	*	.	S	Bend	trans	-157	133.7	155.5	0	0	0	0	0	107.1	Q36 L40	Q36-A38 VanDerWaalsContact C-N 3.32Å; Q36-A38 PolarHBondContact O-N 3.28Å; A38-L40 PolarHBondContact O-N 2.63Å
39	V	41.7	Very low	60.9	Low	157 Å²	157	93.5 Å²	93.5	95%	0.952	51%	0.507	S	S	*	.			trans	-54.6	95	-176.3	-178.8	0	0	0	0	110.6
40	L	45.5	Very low	62.2	Low	115 Å²	115	86 Å²	86	60%	0.602	48%	0.479	S	S	*	.			trans	-117.3	144.9	168.2	-74.1	171.3	0	0	0	108	A38 V42	A38-L40 PolarHBondContact O-N 2.63Å; L40-V42 PolarHBondContact O-N 3.2Å
41	P	50.1	Low	64.2	Low	87 Å²	87	83.6 Å²	83.6	57%	0.565	47%	0.472	S	S	*	.			trans	-60.8	136.2	-177.9	24.2	-31.1	0	0	0	110	S43	P41-S43 PolarHBondContact O-N 3.21Å
42	V	54.3	Low	66.5	Low	93 Å²	93	84.3 Å²	84.3	56%	0.564	46%	0.463	S	S	*	.			trans	-57.7	101.8	172.7	177	0	0	0	0	107.7	A31 L40 V44	A31-V42 HydrophobicContact CB-CG1 3.65Å; L40-V42 PolarHBondContact O-N 3.2Å; V42-V44 PolarHBondContact O-N 3.35Å
43	S	65.6	Low	68.5	Low	43 Å²	43	81.7 Å²	81.7	30%	0.301	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	115.9	176.5	60.2	0	0	0	0	108.3	V32 P41 E45	V32-S43 PolarHBondContact N-O 3.15Å; P41-S43 PolarHBondContact O-N 3.21Å; S43-E45 PolarHBondContact O-N 3.25Å
44	V	78.5	Confident	70.8	Confident	63 Å²	63	74.5 Å²	74.5	38%	0.382	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	114.4	174.7	-179.4	0	0	0	0	108.3	R29 V42	R29-V44 HydrophobicContact CB-CG1 3.76Å; R29-V44 HydrophobicContact CG-CG1 4.04Å; V42-V44 PolarHBondContact O-N 3.35Å
45	E	89.4	Confident	73.1	Confident	41 Å²	41	71.1 Å²	71.1	19%	0.192	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	129.1	169.8	-171.2	174.6	-127.3	0	0	109.1	R29 R30 V32 S43 T133 V223	R29-E45 WeakPolarHBondContact CA-O 3.43Å; R30-E45 PolarHBondContact N-O 3Å; R30-E45 PolarHBondContact O-N 3.35Å; V32-E45 HydrophobicContact CG2-CB 3.72Å; S43-E45 PolarHBondContact O-N 3.25Å; E45-T133 WeakPolarHBondContact OE1-CB 3.49Å; E45-T133 PolarHBondContact OE1-OG1 3.21Å; E45-V223 HydrophobicContact CB-CG1 4.48Å
46	V	93.6	Very high	75.6	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.1	176.1	-179.2	0	0	0	0	107.5	T27 Q48 V130 R221 G222 K224	T27-V46 HydrophobicContact CG2-CG1 3.53Å; V46-Q48 HydrophobicContact CG1-CG 4.48Å; V46-V130 HydrophobicContact CB-CG1 4.03Å; V46-V130 HydrophobicContact CG1-CG1 4.34Å; V46-V130 HydrophobicContact CG2-CG1 4.38Å; V46-R221 CarbonylContact O-C 3.55Å; V46-R221 VanDerWaalsContact O-CA 3.3Å; V46-R221 WeakPolarHBondContact O-CA 3.47Å; V46-G222 PolarHBondContact N-O 2.92Å; V46-G222 PolarHBondContact O-N 2.87Å; V46-K224 HydrophobicContact CG2-CG 4.13Å
47	E	95.6	Very high	78.2	Confident	21 Å²	21	59.2 Å²	59.2	10%	0.098	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.4	168.7	176.6	-163.7	93.1	0	0	107.5	T27 S28 R30 I219 R221	T27-E47 CarbonylContact C-O 3.55Å; T27-E47 VanDerWaalsContact CA-O 3.3Å; T27-E47 WeakPolarHBondContact CA-O 3.48Å; S28-E47 PolarHBondContact N-O 2.91Å; S28-E47 PolarHBondContact O-N 3.34Å; S28-E47 WeakPolarHBondContact OG-CB 3.26Å; S28-E47 VanDerWaalsContact OG-CD 3.23Å; S28-E47 PolarHBondContact OG-OE1 2.87Å; R30-E47 IonicContact CZ-OE2 2.62Å; R30-E47 IonicContact NH2-OE2 3.4Å; E47-I219 HydrophobicContact CG-CG2 3.86Å; E47-R221 HydrophobicContact CB-CG 4.41Å; E47-R221 HydrophobicContact CG-CG 4.34Å; E47-R221 IonicContact OE2-CZ 3.74Å; E47-R221 IonicContact OE2-NH1 3.5Å; E47-R221 PolarHBondContact OE2-NH1 2.91Å; E47-R221 IonicContact OE2-NH2 2.82Å; E47-R221 PolarHBondContact OE2-NH2 2.95Å
48	Q	96.3	Very high	80.7	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	140.8	-178.5	53.2	-176	-41	0	0	111.1	T27 V46 F126 E128 I219 L220	T27-Q48 HydrophobicContact CG2-CB 4.39Å; V46-Q48 HydrophobicContact CG1-CG 4.48Å; Q48-F126 HydrophobicContact CG-CB 4.45Å; Q48-F126 HydrophobicContact CG-CD1 4.03Å; Q48-E128 PolarHBondContact NE2-O 2.9Å; Q48-E128 PolarHBondContact OE1-O 2.79Å; Q48-I219 WeakPolarHBondContact O-CA 3.47Å; Q48-L220 HydrophobicContact CG-CB 4.3Å; Q48-L220 WeakPolarHBondContact CG-O 3.5Å; Q48-L220 PolarHBondContact N-O 3.18Å; Q48-L220 PolarHBondContact O-N 2.78Å
49	Y	97.4	Very high	83.2	Confident	48 Å²	48	43.8 Å²	43.8	19%	0.188	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	157.6	170.4	-68.1	-88.2	0	0	0	110.6	K51 G75 I76 P77 F126 F138 A217 I219	Y49-K51 PolarHBondContact O-N 3.35Å; Y49-K51 VanDerWaalsContact O-N 3.12Å; Y49-G75 WeakPolarHBondContact CB-O 3.48Å; Y49-G75 WeakPolarHBondContact CD1-O 3.42Å; Y49-I76 HydrophobicContact CD1-CG2 4.43Å; Y49-I76 HydrophobicContact CD2-CG2 3.85Å; Y49-I76 HydrophobicContact CE1-CG2 4.4Å; Y49-I76 HydrophobicContact CE2-CG2 3.81Å; Y49-I76 HydrophobicContact CG-CG2 4.16Å; Y49-P77 VanDerWaalsContact CE1-CD 3.44Å; Y49-P77 HydrophobicContact CE1-CG 4.23Å; Y49-F126 WeakPolarHBondContact O-CD1 3.45Å; Y49-F138 HydrophobicContact CE1-CE2 4.47Å; Y49-A217 HydrophobicContact CD1-CB 4.46Å; Y49-I219 HydrophobicContact CD1-CD1 4.35Å; Y49-I219 HydrophobicContact CD1-CG1 3.63Å; Y49-I219 HydrophobicContact CE1-CD1 3.56Å; Y49-I219 HydrophobicContact CE1-CG1 3.35Å; Y49-I219 HydrophobicContact CG-CG1 4.36Å
50	A	97.6	Very high	85.6	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.			trans	-54.8	120.8	170	0	0	0	0	0	109.5	A74 G75 L124 F126 V218	A50-A74 CarbonylContact O-C 3.51Å; A50-A74 WeakPolarHBondContact O-CA 3.38Å; A50-G75 PolarHBondContact O-N 3.39Å; A50-L124 HydrophobicContact CB-CB 4.18Å; A50-L124 HydrophobicContact CB-CD1 4.3Å; A50-L124 HydrophobicContact CB-CD2 4.38Å; A50-F126 HydrophobicContact CB-CE1 4.02Å; A50-F126 HydrophobicContact CB-CZ 4.11Å; A50-V218 PolarHBondContact N-O 2.88Å
51	K	95.9	Very high	87.5	Confident	95 Å²	95	31.6 Å²	31.6	41%	0.413	17%	0.17	S	C	.	.			trans	-72.6	-43.1	179.4	177.6	-169.6	-172.1	148.8	0	110.8	Y49 G125 E127	Y49-K51 PolarHBondContact O-N 3.35Å; Y49-K51 VanDerWaalsContact O-N 3.12Å; K51-G125 WeakPolarHBondContact CB-O 3.17Å; K51-G125 PolarHBondContact N-O 2.65Å; K51-E127 WeakPolarHBondContact CD-OE2 3.24Å; K51-E127 WeakPolarHBondContact CE-OE2 3.29Å; K51-E127 IonicContact NZ-OE1 2.9Å; K51-E127 PolarHBondContact NZ-OE1 2.76Å; K51-E127 IonicContact NZ-OE2 3.82Å; K51-E127 PolarHBondContact NZ-OE2 3.49Å
52	E	94.8	Very high	89	Confident	89 Å²	89	28.4 Å²	28.4	42%	0.416	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	157.1	-175.7	65.5	-173.8	149.2	0	0	111.4	L54 G125	E52-L54 HydrophobicContact CG-CD2 3.79Å; E52-L54 HydrophobicContact CG-CG 4.11Å; E52-G125 PolarHBondContact N-O 3.14Å; E52-G125 PolarHBondContact O-N 2.68Å
53	V	94.6	Very high	89.9	Confident	8 Å²	8	28.1 Å²	28.1	5%	0.048	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.2	165.8	-176.3	0	0	0	0	107.7	F56 M70 W71 L73 I122 L124	V53-F56 HydrophobicContact CG1-CD1 3.71Å; V53-F56 HydrophobicContact CG1-CE1 4.22Å; V53-M70 HydrophobicContact CG1-CB 4.42Å; V53-M70 VanDerWaalsContact CG2-O 3.31Å; V53-M70 WeakPolarHBondContact CG2-O 3.46Å; V53-W71 HydrophobicContact CB-CE3 3.69Å; V53-W71 HydrophobicContact CB-CZ3 3.86Å; V53-W71 HydrophobicContact CG1-CE3 4.33Å; V53-W71 HydrophobicContact CG1-CZ3 4.23Å; V53-W71 HydrophobicContact CG2-CE3 4.38Å; V53-W71 VanDerWaalsContact O-CZ3 3.31Å; V53-W71 WeakPolarHBondContact O-CZ3 3.21Å; V53-L73 HydrophobicContact CG2-CB 4.23Å; V53-I122 HydrophobicContact CG1-CD1 3.66Å; V53-I122 HydrophobicContact CG1-CG1 3.78Å; V53-I122 HydrophobicContact CG2-CD1 4.33Å; V53-L124 HydrophobicContact CB-CD2 4.28Å; V53-L124 HydrophobicContact CG1-CD2 4.36Å; V53-L124 HydrophobicContact CG2-CD2 3.69Å
54	L	92	Very high	90.4	Very high	30 Å²	30	30.5 Å²	30.5	16%	0.157	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-39.9	-173.7	-67.1	166.1	0	0	0	111.9	E52 E123 F157 L199	E52-L54 HydrophobicContact CG-CD2 3.79Å; E52-L54 HydrophobicContact CG-CG 4.11Å; L54-E123 HydrophobicContact CB-CB 4.38Å; L54-E123 PolarHBondContact N-O 3.19Å; L54-F157 HydrophobicContact CB-CD2 3.77Å; L54-F157 HydrophobicContact CB-CE2 3.78Å; L54-F157 HydrophobicContact CB-CG 4.3Å; L54-F157 HydrophobicContact CB-CZ 4.34Å; L54-F157 HydrophobicContact CD1-CD2 3.83Å; L54-F157 HydrophobicContact CD1-CE2 4.38Å; L54-F157 HydrophobicContact CD2-CB 3.92Å; L54-F157 HydrophobicContact CD2-CD2 4.16Å; L54-F157 HydrophobicContact CD2-CG 4.15Å; L54-F157 HydrophobicContact CG-CD2 4.14Å; L54-L199 HydrophobicContact CD1-CD1 3.54Å
55	D	92.4	Very high	90.6	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.053	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	158.1	179.6	-166.2	21.8	0	0	0	111.3	Y121 I122 E123 F157 H378	D55-Y121 HydrophobicContact CB-CE2 4.23Å; D55-Y121 WeakPolarHBondContact OD2-CE2 3.1Å; D55-Y121 PolarHBondContact OD2-OH 2.95Å; D55-I122 CarbonylContact O-C 3.5Å; D55-I122 WeakPolarHBondContact O-CA 3.35Å; D55-E123 HydrophobicContact CB-CB 4.12Å; D55-E123 HydrophobicContact CB-CG 4.25Å; D55-E123 PolarHBondContact O-N 3.41Å; D55-F157 HydrophobicContact CB-CZ 4.06Å; D55-H378 VanDerWaalsContact CG-NE2 3.27Å; D55-H378 IonicContact OD1-CE1 2.73Å; D55-H378 IonicContact OD1-NE2 3.77Å; D55-H378 PolarHBondContact OD1-NE2 3.07Å; D55-H378 IonicContact OD2-CD2 2.73Å; D55-H378 PolarHBondContact OD2-CD2 2.99Å; D55-H378 IonicContact OD2-CE1 2.81Å; D55-H378 IonicContact OD2-NE2 2.79Å; D55-H378 PolarHBondContact OD2-NE2 3.33Å
56	F	94.1	Very high	90.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	148.9	175.6	50.8	-90.8	0	0	0	111.7	V53 S58 H59 M70 W71 Y121 I122 R427	V53-F56 HydrophobicContact CG1-CD1 3.71Å; V53-F56 HydrophobicContact CG1-CE1 4.22Å; F56-S58 WeakPolarHBondContact CD2-O 3.32Å; F56-H59 HydrophobicContact CD2-CB 4.16Å; F56-H59 HydrophobicContact CE2-CB 3.87Å; F56-H59 AromaticContact CE2-CE1 3.93Å; F56-H59 AromaticContact CE2-CG 3.61Å; F56-H59 AromaticContact CE2-ND1 3.31Å; F56-H59 VanDerWaalsContact CE2-ND1 3.31Å; F56-H59 WeakPolarHBondContact CE2-ND1 3.33Å; F56-H59 AromaticContact CZ-ND1 3.6Å; F56-M70 HydrophobicContact CB-CG 4.14Å; F56-M70 HydrophobicContact CD1-CB 3.75Å; F56-M70 HydrophobicContact CD1-CG 4.04Å; F56-M70 HydrophobicContact CD2-CB 4.29Å; F56-M70 HydrophobicContact CD2-CG 3.76Å; F56-M70 HydrophobicContact CE1-CB 3.87Å; F56-M70 HydrophobicContact CE1-CG 4.39Å; F56-M70 HydrophobicContact CE2-CB 4.39Å; F56-M70 HydrophobicContact CE2-CG 4.13Å; F56-M70 HydrophobicContact CG-CB 3.97Å; F56-M70 HydrophobicContact CG-CG 3.71Å; F56-M70 HydrophobicContact CZ-CB 4.2Å; F56-M70 HydrophobicContact CZ-CG 4.44Å; F56-W71 HydrophobicContact CE1-CD2 4.49Å; F56-W71 AromaticContact CE1-CH2 3.57Å; F56-W71 HydrophobicContact CE1-CH2 3.57Å; F56-W71 AromaticContact CE1-CZ2 3.56Å; F56-W71 HydrophobicContact CE1-CZ2 3.56Å; F56-W71 HydrophobicContact CE1-CZ3 4.07Å; F56-W71 HydrophobicContact CZ-CH2 4.21Å; F56-W71 AromaticContact CZ-CZ2 3.75Å; F56-W71 HydrophobicContact CZ-CZ2 3.75Å; F56-Y121 VanDerWaalsContact CA-O 3.24Å; F56-Y121 WeakPolarHBondContact CA-O 3.4Å; F56-Y121 WeakPolarHBondContact CB-O 3.47Å; F56-I122 HydrophobicContact CB-CB 4.26Å; F56-I122 HydrophobicContact CB-CD1 4.39Å; F56-I122 HydrophobicContact CB-CG1 4.23Å; F56-R427 VanDerWaalsContact CD2-NH1 3.28Å; F56-R427 PolarHBondContact O-NH1 3.33Å; F56-R427 VanDerWaalsContact O-NH1 3.12Å
57	S	94	Very high	90.1	Very high	6 Å²	6	34 Å²	34	4%	0.042	17%	0.174	C	C	.	.	S	Bend	trans	-73.4	-43.8	-176.4	52.1	0	0	0	0	114	D120 Y121 C376 S402	S57-D120 WeakPolarHBondContact CB-OD1 3.33Å; S57-D120 WeakPolarHBondContact OG-CA 3.39Å; S57-D120 WeakPolarHBondContact OG-CB 3.37Å; S57-D120 VanDerWaalsContact OG-CG 3.3Å; S57-D120 PolarHBondContact OG-OD1 3.31Å; S57-Y121 PolarHBondContact N-O 3.03Å; S57-Y121 PolarHBondContact OG-N 3.15Å; S57-Y121 PolarHBondContact OG-O 2.92Å; S57-C376 VanDerWaalsContact CA-SG 3.59Å; S57-S402 PolarHBondContact O-OG 3.47Å
58	S	92.6	Very high	90	Very high	12 Å²	12	33.8 Å²	33.8	8%	0.084	17%	0.173	C	C	.	.			trans	-146.8	162.8	-178.9	73.5	0	0	0	0	111.3	F56 M70 D120	F56-S58 WeakPolarHBondContact CD2-O 3.32Å; S58-M70 VanDerWaalsContact O-CE 3.24Å; S58-M70 WeakPolarHBondContact O-CE 3.47Å; S58-D120 WeakPolarHBondContact CB-OD1 3.11Å; S58-D120 PolarHBondContact OG-OD1 3.02Å
59	H	91.9	Very high	89.8	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.173	C	C	.	.			trans	-151.9	150.7	170.2	68.5	-179.2	0	0	0	112	F56 G61 M70 Y426	F56-H59 HydrophobicContact CD2-CB 4.16Å; F56-H59 HydrophobicContact CE2-CB 3.87Å; F56-H59 AromaticContact CE2-CE1 3.93Å; F56-H59 AromaticContact CE2-CG 3.61Å; F56-H59 AromaticContact CE2-ND1 3.31Å; F56-H59 VanDerWaalsContact CE2-ND1 3.31Å; F56-H59 WeakPolarHBondContact CE2-ND1 3.33Å; F56-H59 AromaticContact CZ-ND1 3.6Å; H59-G61 PolarHBondContact CD2-O 3.15Å; H59-G61 PolarHBondContact CE1-O 2.93Å; H59-G61 VanDerWaalsContact CE1-O 3.3Å; H59-G61 PolarHBondContact ND1-O 3.32Å; H59-G61 PolarHBondContact NE2-O 3.27Å; H59-G61 VanDerWaalsContact NE2-O 3.1Å; H59-M70 HydrophobicContact CB-CE 4.07Å; H59-M70 HydrophobicContact CB-CG 3.65Å; H59-Y426 PolarHBondContact N-OH 3.17Å; H59-Y426 VanDerWaalsContact N-OH 3.12Å; H59-Y426 PolarHBondContact O-OH 3.28Å
60	Y	91.1	Very high	89.7	Confident	15 Å²	15	31.5 Å²	31.5	6%	0.059	16%	0.164	C	C	.	.	S	Bend	trans	-78.7	-50.6	174.9	-173.3	-90.4	0	0	0	110.6	Y68 V91 W479 R480 W506 T533	Y60-Y68 AromaticContact CD1-CD2 3.87Å; Y60-Y68 HydrophobicContact CD1-CD2 3.87Å; Y60-Y68 AromaticContact CD1-CG 3.86Å; Y60-Y68 HydrophobicContact CD1-CG 3.86Å; Y60-Y68 AromaticContact CE1-CD2 3.82Å; Y60-Y68 HydrophobicContact CE1-CD2 3.82Å; Y60-Y68 HydrophobicContact CE1-CE2 4.34Å; Y60-Y68 HydrophobicContact CE1-CG 4.22Å; Y60-V91 WeakPolarHBondContact CB-O 3.45Å; Y60-V91 HydrophobicContact CG-CG1 4.41Å; Y60-V91 PolarHBondContact N-O 3.44Å; Y60-W479 HydrophobicContact CD2-CH2 4.09Å; Y60-W479 HydrophobicContact CD2-CZ2 4.07Å; Y60-W479 AromaticContact CE2-CH2 3.5Å; Y60-W479 HydrophobicContact CE2-CH2 3.5Å; Y60-W479 VanDerWaalsContact CE2-CH2 3.5Å; Y60-W479 AromaticContact CE2-CZ2 3.89Å; Y60-W479 HydrophobicContact CE2-CZ2 3.89Å; Y60-W479 HydrophobicContact CG-CZ2 4.45Å; Y60-W479 AromaticContact CZ-CH2 3.81Å; Y60-R480 PolarHBondContact O-NH1 3.37Å; Y60-R480 PolarHBondContact O-NH2 3.02Å; Y60-W506 HydrophobicContact CE1-CZ2 4.3Å; Y60-T533 WeakPolarHBondContact OH-CG2 3.44Å
61	G	86.2	Confident	89.6	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-66.9	165.4	178.4	0	0	0	0	0	114.4	H59 S67 Y68 R480	H59-G61 PolarHBondContact CD2-O 3.15Å; H59-G61 PolarHBondContact CE1-O 2.93Å; H59-G61 VanDerWaalsContact CE1-O 3.3Å; H59-G61 PolarHBondContact ND1-O 3.32Å; H59-G61 PolarHBondContact NE2-O 3.27Å; H59-G61 VanDerWaalsContact NE2-O 3.1Å; G61-S67 WeakPolarHBondContact CA-O 3.27Å; G61-Y68 VanDerWaalsContact CA-O 3.3Å; G61-Y68 WeakPolarHBondContact CA-O 3.4Å; G61-Y68 PolarHBondContact N-O 2.85Å; G61-R480 PolarHBondContact O-NH1 3.23Å
62	S	80.8	Confident	89.5	Confident	20 Å²	20	29.8 Å²	29.8	14%	0.14	16%	0.155	C	C	.	.			trans	-96.2	156.7	-177.7	80.8	0	0	0	0	111.7	N64 S65 T69 R480	S62-N64 PolarHBondContact O-N 3.47Å; S62-S65 PolarHBondContact O-N 2.7Å; S62-S65 VanDerWaalsContact OG-CB 3.31Å; S62-S65 WeakPolarHBondContact OG-CB 3.44Å; S62-S65 PolarHBondContact OG-N 3.28Å; S62-T69 VanDerWaalsContact O-CG2 3.31Å; S62-T69 WeakPolarHBondContact O-CG2 3.39Å; S62-R480 VanDerWaalsContact N-CZ 3.3Å; S62-R480 VanDerWaalsContact N-NH1 3.11Å; S62-R480 VanDerWaalsContact N-NH2 3.17Å
63	E	73.9	Confident	89.6	Confident	88 Å²	88	25.5 Å²	25.5	41%	0.411	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.2	179.7	-65.3	-165.4	167.9	0	0	114	R427	E63-R427 IonicContact OE1-CZ 2.69Å; E63-R427 IonicContact OE1-NE 3.68Å; E63-R427 PolarHBondContact OE1-NE 2.99Å; E63-R427 IonicContact OE1-NH2 2.72Å
64	N	76.3	Confident	89.6	Confident	92 Å²	92	26.4 Å²	26.4	49%	0.492	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	5.4	179.6	-61.1	-13.6	0	0	0	113.4	S62	S62-N64 PolarHBondContact O-N 3.47Å
65	S	81.5	Confident	89.7	Confident	40 Å²	40	25.7 Å²	25.7	28%	0.28	14%	0.143	S	C	.	.			trans	-96.3	164.8	-179.8	-171.2	0	0	0	0	111.5	S62 S67 T69	S62-S65 PolarHBondContact O-N 2.7Å; S62-S65 VanDerWaalsContact OG-CB 3.31Å; S62-S65 WeakPolarHBondContact OG-CB 3.44Å; S62-S65 PolarHBondContact OG-N 3.28Å; S65-S67 PolarHBondContact OG-N 2.82Å; S65-T69 VanDerWaalsContact O-CG2 3.3Å; S65-T69 WeakPolarHBondContact O-CG2 3.26Å
66	M	83.3	Confident	89.7	Confident	96 Å²	96	28 Å²	28	47%	0.473	16%	0.155	S	C	.	.	S	Bend	trans	-104.7	-10.6	162.9	-65.9	177.6	61.6	0	0	111.9	N72	M66-N72 PolarHBondContact O-ND2 3.02Å; M66-N72 PolarHBondContact O-OD1 3.47Å
67	S	89.8	Confident	89.7	Confident	42 Å²	42	29.5 Å²	29.5	29%	0.294	17%	0.165	S	C	.	.	S	Bend	trans	-87.2	123.8	-178.1	-52.8	0	0	0	0	111.6	G61 S65 T69 T87	G61-S67 WeakPolarHBondContact CA-O 3.27Å; S65-S67 PolarHBondContact OG-N 2.82Å; S67-T69 WeakPolarHBondContact O-CG2 3.26Å; S67-T69 PolarHBondContact O-N 3.39Å; S67-T87 CarbonylContact C-O 3.53Å; S67-T87 WeakPolarHBondContact CA-O 3.45Å
68	Y	92.9	Very high	89.6	Confident	17 Å²	17	33.2 Å²	33.2	7%	0.067	18%	0.184	C	C	.	.	S	Bend	trans	59.1	27.7	172.6	-52.8	-66.6	0	0	0	114.3	Y60 G61 D85 T87 T89 V91 F586	Y60-Y68 AromaticContact CD1-CD2 3.87Å; Y60-Y68 HydrophobicContact CD1-CD2 3.87Å; Y60-Y68 AromaticContact CD1-CG 3.86Å; Y60-Y68 HydrophobicContact CD1-CG 3.86Å; Y60-Y68 AromaticContact CE1-CD2 3.82Å; Y60-Y68 HydrophobicContact CE1-CD2 3.82Å; Y60-Y68 HydrophobicContact CE1-CE2 4.34Å; Y60-Y68 HydrophobicContact CE1-CG 4.22Å; G61-Y68 VanDerWaalsContact CA-O 3.3Å; G61-Y68 WeakPolarHBondContact CA-O 3.4Å; G61-Y68 PolarHBondContact N-O 2.85Å; Y68-D85 WeakPolarHBondContact CE1-OD1 3.45Å; Y68-D85 PolarHBondContact OH-OD1 3.42Å; Y68-T87 HydrophobicContact CD2-CG2 4.45Å; Y68-T87 HydrophobicContact CE1-CG2 4.31Å; Y68-T87 HydrophobicContact CE2-CG2 3.67Å; Y68-T87 PolarHBondContact N-O 3.06Å; Y68-T89 CarbonylContact C-O 3.41Å; Y68-T89 VanDerWaalsContact CA-O 3.27Å; Y68-T89 WeakPolarHBondContact CA-O 3.47Å; Y68-V91 HydrophobicContact CD1-CG2 3.61Å; Y68-V91 HydrophobicContact CG-CG2 4.25Å; Y68-F586 WeakPolarHBondContact OH-CZ 3.3Å
69	T	93.6	Very high	89.6	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	18%	0.184	C	C	.	.			trans	-93.9	146	-175.2	71.7	0	0	0	0	111	S62 S65 S67 W71 N72 T89	S62-T69 VanDerWaalsContact O-CG2 3.31Å; S62-T69 WeakPolarHBondContact O-CG2 3.39Å; S65-T69 VanDerWaalsContact O-CG2 3.3Å; S65-T69 WeakPolarHBondContact O-CG2 3.26Å; S67-T69 WeakPolarHBondContact O-CG2 3.26Å; S67-T69 PolarHBondContact O-N 3.39Å; T69-W71 PolarHBondContact O-N 3.4Å; T69-W71 VanDerWaalsContact O-N 3.12Å; T69-N72 VanDerWaalsContact O-CB 3.27Å; T69-N72 WeakPolarHBondContact O-CB 3.21Å; T69-N72 PolarHBondContact O-N 3.13Å; T69-T89 PolarHBondContact N-O 3.2Å
70	M	94.8	Very high	89.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-54.8	-33.4	174.6	-70.6	-57.8	162	0	0	112.9	V53 F56 S58 H59 N72 L73 A90 V91 F92 I122	V53-M70 HydrophobicContact CG1-CB 4.42Å; V53-M70 VanDerWaalsContact CG2-O 3.31Å; V53-M70 WeakPolarHBondContact CG2-O 3.46Å; F56-M70 HydrophobicContact CB-CG 4.14Å; F56-M70 HydrophobicContact CD1-CB 3.75Å; F56-M70 HydrophobicContact CD1-CG 4.04Å; F56-M70 HydrophobicContact CD2-CB 4.29Å; F56-M70 HydrophobicContact CD2-CG 3.76Å; F56-M70 HydrophobicContact CE1-CB 3.87Å; F56-M70 HydrophobicContact CE1-CG 4.39Å; F56-M70 HydrophobicContact CE2-CB 4.39Å; F56-M70 HydrophobicContact CE2-CG 4.13Å; F56-M70 HydrophobicContact CG-CB 3.97Å; F56-M70 HydrophobicContact CG-CG 3.71Å; F56-M70 HydrophobicContact CZ-CB 4.2Å; F56-M70 HydrophobicContact CZ-CG 4.44Å; S58-M70 VanDerWaalsContact O-CE 3.24Å; S58-M70 WeakPolarHBondContact O-CE 3.47Å; H59-M70 HydrophobicContact CB-CE 4.07Å; H59-M70 HydrophobicContact CB-CG 3.65Å; M70-N72 PolarHBondContact O-N 3.02Å; M70-L73 PolarHBondContact O-N 2.81Å; M70-L73 VanDerWaalsContact O-N 3.1Å; M70-A90 HydrophobicContact SD-CB 3.84Å; M70-V91 WeakPolarHBondContact CE-O 3.4Å; M70-F92 HydrophobicContact CE-CB 4.18Å; M70-F92 HydrophobicContact CE-CD1 3.37Å; M70-F92 HydrophobicContact CE-CD2 3.82Å; M70-F92 HydrophobicContact CE-CE1 3.54Å; M70-F92 HydrophobicContact CE-CE2 3.97Å; M70-F92 HydrophobicContact CE-CG 3.53Å; M70-F92 HydrophobicContact CE-CZ 3.84Å; M70-F92 HydrophobicContact SD-CE1 4.24Å; M70-F92 HydrophobicContact SD-CE2 4.48Å; M70-F92 HydrophobicContact SD-CZ 4.18Å; M70-I122 HydrophobicContact CB-CD1 3.81Å; M70-I122 HydrophobicContact CG-CD1 4.03Å; M70-I122 HydrophobicContact SD-CD1 3.61Å
71	W	94.4	Very high	89.9	Confident	52 Å²	52	41 Å²	41	20%	0.197	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-59.5	-10.2	177.6	-44.3	117.4	0	0	0	115	R18 V53 F56 T69 L73	R18-W71 PolarHBondContact NH1-O 2.69Å; R18-W71 VanDerWaalsContact NH1-O 3.16Å; V53-W71 HydrophobicContact CB-CE3 3.69Å; V53-W71 HydrophobicContact CB-CZ3 3.86Å; V53-W71 HydrophobicContact CG1-CE3 4.33Å; V53-W71 HydrophobicContact CG1-CZ3 4.23Å; V53-W71 HydrophobicContact CG2-CE3 4.38Å; V53-W71 VanDerWaalsContact O-CZ3 3.31Å; V53-W71 WeakPolarHBondContact O-CZ3 3.21Å; F56-W71 HydrophobicContact CE1-CD2 4.49Å; F56-W71 AromaticContact CE1-CH2 3.57Å; F56-W71 HydrophobicContact CE1-CH2 3.57Å; F56-W71 AromaticContact CE1-CZ2 3.56Å; F56-W71 HydrophobicContact CE1-CZ2 3.56Å; F56-W71 HydrophobicContact CE1-CZ3 4.07Å; F56-W71 HydrophobicContact CZ-CH2 4.21Å; F56-W71 AromaticContact CZ-CZ2 3.75Å; F56-W71 HydrophobicContact CZ-CZ2 3.75Å; T69-W71 PolarHBondContact O-N 3.4Å; T69-W71 VanDerWaalsContact O-N 3.12Å; W71-L73 VanDerWaalsContact C-N 3.3Å
72	N	95	Very high	90.3	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.032	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-74.5	-19.8	176.1	-73.5	-16.4	0	0	0	113.3	M66 T69 M70 A74 T87 Q88 T89	M66-N72 PolarHBondContact O-ND2 3.02Å; M66-N72 PolarHBondContact O-OD1 3.47Å; T69-N72 VanDerWaalsContact O-CB 3.27Å; T69-N72 WeakPolarHBondContact O-CB 3.21Å; T69-N72 PolarHBondContact O-N 3.13Å; M70-N72 PolarHBondContact O-N 3.02Å; N72-A74 PolarHBondContact O-N 3.49Å; N72-T87 PolarHBondContact ND2-O 2.84Å; N72-Q88 WeakPolarHBondContact CB-O 3.29Å; N72-Q88 VanDerWaalsContact ND2-C 3.31Å; N72-Q88 PolarHBondContact ND2-O 3.24Å; N72-T89 PolarHBondContact ND2-O 2.76Å
73	L	95.7	Very high	90.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-68.9	-12.7	174.3	-81.4	167.1	0	0	0	114.4	V53 M70 W71 A90 I122 L124 L215 V218	V53-L73 HydrophobicContact CG2-CB 4.23Å; M70-L73 PolarHBondContact O-N 2.81Å; M70-L73 VanDerWaalsContact O-N 3.1Å; W71-L73 VanDerWaalsContact C-N 3.3Å; L73-A90 HydrophobicContact CD1-CB 3.62Å; L73-A90 HydrophobicContact CD2-CB 4.47Å; L73-A90 HydrophobicContact CG-CB 3.57Å; L73-I122 HydrophobicContact CD1-CD1 3.48Å; L73-I122 VanDerWaalsContact CD1-CD1 3.48Å; L73-I122 HydrophobicContact CD1-CG1 4.47Å; L73-L124 HydrophobicContact CB-CD2 4.2Å; L73-L124 HydrophobicContact CD1-CD2 4.49Å; L73-L215 HydrophobicContact CD1-CB 4.31Å; L73-L215 HydrophobicContact CD1-CD1 4.42Å; L73-L215 HydrophobicContact CD2-CB 3.68Å; L73-L215 HydrophobicContact CG-CB 4.35Å; L73-V218 HydrophobicContact CD2-CG2 4.1Å
74	A	94.8	Very high	91.8	Very high	27 Å²	27	39 Å²	39	22%	0.223	22%	0.222	C	C	.	.	S	Bend	trans	-82.6	119.2	179.3	0	0	0	0	0	110.9	A50 N72	A50-A74 CarbonylContact O-C 3.51Å; A50-A74 WeakPolarHBondContact O-CA 3.38Å; N72-A74 PolarHBondContact O-N 3.49Å
75	G	93.7	Very high	92.6	Very high	15 Å²	15	34.8 Å²	34.8	16%	0.155	20%	0.2	C	C	.	.	S	Bend	trans	103.9	-161.9	179.9	0	0	0	0	0	113.7	Y49 A50	Y49-G75 WeakPolarHBondContact CB-O 3.48Å; Y49-G75 WeakPolarHBondContact CD1-O 3.42Å; A50-G75 PolarHBondContact O-N 3.39Å
76	I	94.2	Very high	93.2	Very high	59 Å²	59	35.2 Å²	35.2	30%	0.303	20%	0.197	S	C	.	.	S	Bend	trans	-72.2	153.9	178.2	62.1	174.7	0	0	0	111.6	L26 Y49	L26-I76 HydrophobicContact CD2-CG2 4.42Å; Y49-I76 HydrophobicContact CD1-CG2 4.43Å; Y49-I76 HydrophobicContact CD2-CG2 3.85Å; Y49-I76 HydrophobicContact CE1-CG2 4.4Å; Y49-I76 HydrophobicContact CE2-CG2 3.81Å; Y49-I76 HydrophobicContact CG-CG2 4.16Å
77	P	93.9	Very high	93.7	Very high	30 Å²	30	33 Å²	33	20%	0.195	19%	0.189	C	C	.	.			trans	-54.7	140.9	175.8	-15.9	20.7	0	0	0	111.8	Y49 F138 D216 A217	Y49-P77 VanDerWaalsContact CE1-CD 3.44Å; Y49-P77 HydrophobicContact CE1-CG 4.23Å; P77-F138 HydrophobicContact CG-CD2 3.97Å; P77-F138 HydrophobicContact CG-CE2 3.97Å; P77-F138 HydrophobicContact CG-CG 4.4Å; P77-F138 HydrophobicContact CG-CZ 4.41Å; P77-D216 WeakPolarHBondContact CA-OD2 3.25Å; P77-D216 WeakPolarHBondContact CB-OD2 3.09Å; P77-A217 HydrophobicContact CB-CB 4.11Å; P77-A217 HydrophobicContact CG-CB 3.78Å
78	N	90.8	Very high	93.9	Very high	85 Å²	85	35.1 Å²	35.1	46%	0.455	19%	0.194	S	C	.	.	S	Bend	trans	-102	-20.5	176.6	-62.4	-77.9	0	0	0	112.8	Q88 D216	N78-Q88 HydrophobicContact CB-CB 3.97Å; N78-D216 VanDerWaalsContact N-CG 3.33Å; N78-D216 PolarHBondContact N-OD1 3.07Å; N78-D216 PolarHBondContact N-OD2 2.97Å
79	V	93.6	Very high	93.9	Very high	13 Å²	13	34.3 Å²	34.3	8%	0.079	19%	0.191	C	C	.	.	S	Bend	trans	-124.1	-46	-167.6	174.7	0	0	0	0	111.2	S82 F86 Q88 T89 T140 D216	V79-S82 WeakPolarHBondContact O-CA 3.3Å; V79-S82 VanDerWaalsContact O-CB 3.22Å; V79-S82 WeakPolarHBondContact O-CB 3.27Å; V79-S82 PolarHBondContact O-N 3.36Å; V79-F86 HydrophobicContact CB-CD2 4.38Å; V79-F86 HydrophobicContact CB-CG 4.42Å; V79-F86 HydrophobicContact CG1-CB 4.18Å; V79-F86 HydrophobicContact CG1-CD1 4.4Å; V79-F86 HydrophobicContact CG1-CD2 3.25Å; V79-F86 HydrophobicContact CG1-CE2 3.57Å; V79-F86 HydrophobicContact CG1-CG 3.71Å; V79-F86 HydrophobicContact CG1-CZ 4.28Å; V79-F86 HydrophobicContact CG2-CB 3.54Å; V79-F86 HydrophobicContact CG2-CD1 4.27Å; V79-F86 HydrophobicContact CG2-CD2 4.2Å; V79-F86 HydrophobicContact CG2-CG 3.76Å; V79-Q88 HydrophobicContact CG2-CB 4.24Å; V79-T89 HydrophobicContact CB-CG2 4.28Å; V79-T89 HydrophobicContact CG2-CG2 3.77Å; V79-T140 HydrophobicContact CB-CG2 4.19Å; V79-T140 HydrophobicContact CG1-CG2 3.95Å; V79-D216 WeakPolarHBondContact CA-OD2 3.2Å; V79-D216 PolarHBondContact N-OD2 2.63Å
80	Y	94.1	Very high	94.1	Very high	74 Å²	74	34.3 Å²	34.3	29%	0.29	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	134.3	-179.6	-175.7	-89.7	0	0	0	110.8	F138 A183 Q185 D216	Y80-F138 AromaticContact CD1-CD1 3.51Å; Y80-F138 HydrophobicContact CD1-CD1 3.51Å; Y80-F138 AromaticContact CD1-CE1 3.68Å; Y80-F138 HydrophobicContact CD1-CE1 3.68Å; Y80-F138 HydrophobicContact CD1-CG 4.48Å; Y80-F138 HydrophobicContact CD2-CB 4.3Å; Y80-F138 AromaticContact CD2-CD1 3.66Å; Y80-F138 HydrophobicContact CD2-CD1 3.66Å; Y80-F138 HydrophobicContact CD2-CG 4.42Å; Y80-F138 AromaticContact CE1-CD1 3.72Å; Y80-F138 HydrophobicContact CE1-CD1 3.72Å; Y80-F138 AromaticContact CE1-CE1 3.61Å; Y80-F138 HydrophobicContact CE1-CE1 3.61Å; Y80-F138 AromaticContact CE2-CD1 3.88Å; Y80-F138 HydrophobicContact CE2-CD1 3.88Å; Y80-F138 HydrophobicContact CE2-CE1 4.49Å; Y80-F138 HydrophobicContact CG-CB 4.3Å; Y80-F138 AromaticContact CG-CD1 3.47Å; Y80-F138 HydrophobicContact CG-CD1 3.47Å; Y80-F138 VanDerWaalsContact CG-CD1 3.47Å; Y80-F138 HydrophobicContact CG-CE1 4.14Å; Y80-F138 HydrophobicContact CG-CG 4.18Å; Y80-F138 AromaticContact CZ-CD1 3.89Å; Y80-A183 HydrophobicContact CD2-CB 4.16Å; Y80-A183 HydrophobicContact CE2-CB 4.43Å; Y80-Q185 HydrophobicContact CE2-CB 4.48Å; Y80-D216 PolarHBondContact N-OD2 2.6Å
81	P	94.3	Very high	94.1	Very high	104 Å²	104	34.3 Å²	34.3	68%	0.675	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.3	6.2	13.5	36.8	-37.3	0	0	0	116.1
82	S	94.5	Very high	94.1	Very high	56 Å²	56	32 Å²	32	39%	0.392	18%	0.182	S	C	.	.	S	Bend	trans	-64.3	157.6	174.3	-60.5	0	0	0	0	111.4	V79 A183	V79-S82 WeakPolarHBondContact O-CA 3.3Å; V79-S82 VanDerWaalsContact O-CB 3.22Å; V79-S82 WeakPolarHBondContact O-CB 3.27Å; V79-S82 PolarHBondContact O-N 3.36Å; S82-A183 VanDerWaalsContact O-CB 3.28Å; S82-A183 WeakPolarHBondContact O-CB 3.28Å
83	S	93.3	Very high	93.7	Very high	9 Å²	9	33.9 Å²	33.9	6%	0.063	19%	0.189	C	C	.	.			trans	-130	143.6	-176.4	-173.8	0	0	0	0	112	T140 P181 Q182 A183 Q613	S83-T140 WeakPolarHBondContact CA-O 3.43Å; S83-T140 PolarHBondContact OG-O 3.01Å; S83-P181 PolarHBondContact OG-O 3.05Å; S83-Q182 WeakPolarHBondContact OG-CA 3.49Å; S83-A183 VanDerWaalsContact CB-N 3.34Å; S83-A183 PolarHBondContact OG-N 3.46Å; S83-Q613 PolarHBondContact N-O 2.9Å; S83-Q613 VanDerWaalsContact N-O 3.11Å; S83-Q613 WeakPolarHBondContact O-CA 3.06Å; S83-Q613 PolarHBondContact O-N 3.22Å
84	G	93.1	Very high	93.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	134.5	-170.8	-178.4	0	0	0	0	0	112.4	F86 T140 Y141 F611	G84-F86 WeakPolarHBondContact O-CD2 3.31Å; G84-F86 PolarHBondContact O-N 3.4Å; G84-T140 PolarHBondContact N-O 3.42Å; G84-Y141 VanDerWaalsContact CA-CD2 3.42Å; G84-Y141 WeakPolarHBondContact O-CB 3.48Å; G84-F611 CarbonylContact C-O 3.57Å; G84-F611 WeakPolarHBondContact CA-O 3.35Å
85	D	93.7	Very high	92.8	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.027	19%	0.19	C	C	.	.			trans	-89.3	104.6	-177.5	-177.2	-29.3	0	0	0	110.8	Y68 Y141 Y212 E214 F586 S610 F611 T612	Y68-D85 WeakPolarHBondContact CE1-OD1 3.45Å; Y68-D85 PolarHBondContact OH-OD1 3.42Å; D85-Y141 HydrophobicContact CB-CD1 4.33Å; D85-Y141 HydrophobicContact CB-CE1 3.9Å; D85-Y141 HydrophobicContact CB-CE2 4.29Å; D85-Y212 PolarHBondContact OD2-OH 2.93Å; D85-E214 VanDerWaalsContact CA-OE1 3.29Å; D85-E214 WeakPolarHBondContact CA-OE1 3.46Å; D85-F586 HydrophobicContact CB-CZ 4.2Å; D85-F586 VanDerWaalsContact CG-CZ 3.43Å; D85-F586 WeakPolarHBondContact OD1-CZ 3.46Å; D85-F586 WeakPolarHBondContact OD2-CE2 3.02Å; D85-F586 VanDerWaalsContact OD2-CZ 3.3Å; D85-F586 WeakPolarHBondContact OD2-CZ 3.28Å; D85-S610 WeakPolarHBondContact CB-OG 3.33Å; D85-S610 VanDerWaalsContact OD2-CB 3.29Å; D85-S610 WeakPolarHBondContact OD2-CB 3.28Å; D85-S610 PolarHBondContact OD2-OG 2.84Å; D85-F611 PolarHBondContact N-O 3.41Å; D85-T612 VanDerWaalsContact O-CG2 3.26Å; D85-T612 WeakPolarHBondContact O-CG2 3.22Å
86	F	94.2	Very high	92.5	Very high	48 Å²	48	34.1 Å²	34.1	21%	0.211	19%	0.187	C	C	.	.			trans	-121.9	127.2	-176.5	-72.5	-87.2	0	0	0	110.2	V79 G84 Q88 T89 E214 T612	V79-F86 HydrophobicContact CB-CD2 4.38Å; V79-F86 HydrophobicContact CB-CG 4.42Å; V79-F86 HydrophobicContact CG1-CB 4.18Å; V79-F86 HydrophobicContact CG1-CD1 4.4Å; V79-F86 HydrophobicContact CG1-CD2 3.25Å; V79-F86 HydrophobicContact CG1-CE2 3.57Å; V79-F86 HydrophobicContact CG1-CG 3.71Å; V79-F86 HydrophobicContact CG1-CZ 4.28Å; V79-F86 HydrophobicContact CG2-CB 3.54Å; V79-F86 HydrophobicContact CG2-CD1 4.27Å; V79-F86 HydrophobicContact CG2-CD2 4.2Å; V79-F86 HydrophobicContact CG2-CG 3.76Å; G84-F86 WeakPolarHBondContact O-CD2 3.31Å; G84-F86 PolarHBondContact O-N 3.4Å; F86-Q88 PolarHBondContact O-N 3.09Å; F86-T89 HydrophobicContact CB-CG2 4.09Å; F86-T89 PolarHBondContact O-N 2.8Å; F86-T89 VanDerWaalsContact O-N 3.1Å; F86-T89 PolarHBondContact O-OG1 2.99Å; F86-E214 PolarHBondContact N-OE1 3.33Å; F86-E214 PolarHBondContact N-OE2 3.26Å; F86-T612 HydrophobicContact CD1-CG2 4.4Å; F86-T612 HydrophobicContact CD2-CG2 4.37Å; F86-T612 HydrophobicContact CE1-CG2 4.03Å; F86-T612 HydrophobicContact CE2-CG2 4.02Å; F86-T612 HydrophobicContact CZ-CG2 3.84Å
87	T	92.8	Very high	92.1	Very high	49 Å²	49	36 Å²	36	30%	0.301	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.6	178	64.5	0	0	0	0	113.5	S67 Y68 N72 T89	S67-T87 CarbonylContact C-O 3.53Å; S67-T87 WeakPolarHBondContact CA-O 3.45Å; Y68-T87 HydrophobicContact CD2-CG2 4.45Å; Y68-T87 HydrophobicContact CE1-CG2 4.31Å; Y68-T87 HydrophobicContact CE2-CG2 3.67Å; Y68-T87 PolarHBondContact N-O 3.06Å; N72-T87 PolarHBondContact ND2-O 2.84Å; T87-T89 VanDerWaalsContact C-N 3.26Å; T87-T89 PolarHBondContact O-N 3Å
88	Q	93.7	Very high	91.3	Very high	88 Å²	88	36.8 Å²	36.8	41%	0.411	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	3.3	-178.3	-61.8	80.1	-1.9	0	0	113.8	N72 N78 V79 F86	N72-Q88 WeakPolarHBondContact CB-O 3.29Å; N72-Q88 VanDerWaalsContact ND2-C 3.31Å; N72-Q88 PolarHBondContact ND2-O 3.24Å; N78-Q88 HydrophobicContact CB-CB 3.97Å; V79-Q88 HydrophobicContact CG2-CB 4.24Å; F86-Q88 PolarHBondContact O-N 3.09Å
89	T	94.8	Very high	90.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-104.8	174.1	-179.3	65	0	0	0	0	112	Y68 T69 N72 V79 F86 T87 E214 D216	Y68-T89 CarbonylContact C-O 3.41Å; Y68-T89 VanDerWaalsContact CA-O 3.27Å; Y68-T89 WeakPolarHBondContact CA-O 3.47Å; T69-T89 PolarHBondContact N-O 3.2Å; N72-T89 PolarHBondContact ND2-O 2.76Å; V79-T89 HydrophobicContact CB-CG2 4.28Å; V79-T89 HydrophobicContact CG2-CG2 3.77Å; F86-T89 HydrophobicContact CB-CG2 4.09Å; F86-T89 PolarHBondContact O-N 2.8Å; F86-T89 VanDerWaalsContact O-N 3.1Å; F86-T89 PolarHBondContact O-OG1 2.99Å; T87-T89 VanDerWaalsContact C-N 3.26Å; T87-T89 PolarHBondContact O-N 3Å; T89-E214 WeakPolarHBondContact CB-OE2 3.22Å; T89-E214 HydrophobicContact CG2-CB 4.24Å; T89-E214 WeakPolarHBondContact CG2-OE2 3.08Å; T89-E214 WeakPolarHBondContact OG1-CB 3.36Å; T89-E214 WeakPolarHBondContact OG1-CG 3.44Å; T89-E214 PolarHBondContact OG1-OE2 3.28Å; T89-D216 HydrophobicContact CG2-CB 4.32Å
90	A	96.1	Very high	90	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.9	173.4	0	0	0	0	0	111.3	M70 L73 L215	M70-A90 HydrophobicContact SD-CB 3.84Å; L73-A90 HydrophobicContact CD1-CB 3.62Å; L73-A90 HydrophobicContact CD2-CB 4.47Å; L73-A90 HydrophobicContact CG-CB 3.57Å; A90-L215 PolarHBondContact N-O 3.26Å; A90-L215 PolarHBondContact O-N 3.17Å
91	V	95.2	Very high	89.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	126.2	-172.6	-169.9	0	0	0	0	110.2	Y60 Y68 M70 Y212 E214	Y60-V91 WeakPolarHBondContact CB-O 3.45Å; Y60-V91 HydrophobicContact CG-CG1 4.41Å; Y60-V91 PolarHBondContact N-O 3.44Å; Y68-V91 HydrophobicContact CD1-CG2 3.61Å; Y68-V91 HydrophobicContact CG-CG2 4.25Å; M70-V91 WeakPolarHBondContact CE-O 3.4Å; V91-Y212 HydrophobicContact CG1-CD2 3.53Å; V91-Y212 HydrophobicContact CG1-CE2 4.15Å; V91-Y212 HydrophobicContact CG1-CG 3.79Å; V91-E214 HydrophobicContact CG2-CG 3.72Å
92	F	94.2	Very high	88.6	Confident	3 Å²	3	38.3 Å²	38.3	1%	0.013	19%	0.189	C	C	.	.			trans	-76.1	158.6	172.3	-67.9	-83.9	0	0	0	110.5	M70 A94 D120 I122 V204 L215	M70-F92 HydrophobicContact CE-CB 4.18Å; M70-F92 HydrophobicContact CE-CD1 3.37Å; M70-F92 HydrophobicContact CE-CD2 3.82Å; M70-F92 HydrophobicContact CE-CE1 3.54Å; M70-F92 HydrophobicContact CE-CE2 3.97Å; M70-F92 HydrophobicContact CE-CG 3.53Å; M70-F92 HydrophobicContact CE-CZ 3.84Å; M70-F92 HydrophobicContact SD-CE1 4.24Å; M70-F92 HydrophobicContact SD-CE2 4.48Å; M70-F92 HydrophobicContact SD-CZ 4.18Å; F92-A94 VanDerWaalsContact C-N 3.32Å; F92-A94 PolarHBondContact O-N 3.38Å; F92-D120 HydrophobicContact CD1-CB 3.56Å; F92-D120 HydrophobicContact CE1-CB 3.74Å; F92-D120 HydrophobicContact CG-CB 4.23Å; F92-I122 HydrophobicContact CZ-CB 4.17Å; F92-I122 HydrophobicContact CZ-CG2 4.14Å; F92-V204 HydrophobicContact CD1-CG2 4.37Å; F92-V204 HydrophobicContact CD2-CG2 3.79Å; F92-V204 HydrophobicContact CE1-CG2 4.21Å; F92-V204 HydrophobicContact CE2-CB 4.39Å; F92-V204 HydrophobicContact CE2-CG1 3.96Å; F92-V204 HydrophobicContact CE2-CG2 3.61Å; F92-V204 HydrophobicContact CG-CG2 4.17Å; F92-V204 HydrophobicContact CZ-CG1 4.37Å; F92-V204 HydrophobicContact CZ-CG2 3.82Å; F92-L215 HydrophobicContact CE2-CD1 4.21Å
93	R	88.1	Confident	87.8	Confident	47 Å²	47	38 Å²	38	18%	0.177	19%	0.19	C	C	.	.	S	Bend	trans	-73	-28.2	-176.3	-169.7	177.9	178.1	-163.3	-1.5	112.9	D477 W479 D503	R93-D477 IonicContact CZ-OD1 3.44Å; R93-D477 IonicContact CZ-OD2 2.68Å; R93-D477 IonicContact NH1-OD1 3.12Å; R93-D477 IonicContact NH1-OD2 3.58Å; R93-D477 PolarHBondContact NH1-OD2 3.18Å; R93-D477 IonicContact NH2-OD1 3.6Å; R93-D477 PolarHBondContact NH2-OD1 3.04Å; R93-D477 IonicContact NH2-OD2 3.5Å; R93-D477 PolarHBondContact NH2-OD2 3.43Å; R93-W479 VanDerWaalsContact NH2-CB 3.31Å; R93-D503 IonicContact CZ-OD2 2.65Å; R93-D503 IonicContact NH2-OD2 3.76Å; R93-D503 PolarHBondContact NH2-OD2 3.38Å
94	A	83.5	Confident	87.4	Confident	22 Å²	22	39 Å²	39	18%	0.182	20%	0.197	C	C	.	.			trans	-111	128.2	-168.5	0	0	0	0	0	111.5	F92 W99 S206	F92-A94 VanDerWaalsContact C-N 3.32Å; F92-A94 PolarHBondContact O-N 3.38Å; A94-W99 VanDerWaalsContact CA-CZ3 3.47Å; A94-W99 HydrophobicContact CB-CD2 4.19Å; A94-W99 HydrophobicContact CB-CE3 3.9Å; A94-W99 HydrophobicContact CB-CH2 3.41Å; A94-W99 VanDerWaalsContact CB-CH2 3.41Å; A94-W99 HydrophobicContact CB-CZ2 3.79Å; A94-W99 HydrophobicContact CB-CZ3 3.47Å; A94-W99 VanDerWaalsContact CB-CZ3 3.47Å; A94-S206 WeakPolarHBondContact O-CB 3.5Å
95	Y	87.3	Confident	87	Confident	15 Å²	15	40.3 Å²	40.3	6%	0.059	21%	0.208	C	C	.	.			trans	-130.7	141.6	163.2	68.6	-89.8	0	0	0	116.6	W98 W99 Y211 Y212 L581	Y95-W98 AromaticContact CE2-NE1 3.87Å; Y95-W98 PolarHBondContact O-NE1 2.95Å; Y95-W99 VanDerWaalsContact CA-CZ3 3.42Å; Y95-W99 WeakPolarHBondContact O-CH2 3.33Å; Y95-W99 WeakPolarHBondContact O-CZ3 3.43Å; Y95-Y211 VanDerWaalsContact CB-C 3.44Å; Y95-Y211 VanDerWaalsContact CD2-CA 3.46Å; Y95-Y211 HydrophobicContact CD2-CD2 4.13Å; Y95-Y211 HydrophobicContact CE1-CD2 4.17Å; Y95-Y211 HydrophobicContact CE1-CE2 4.11Å; Y95-Y211 AromaticContact CE2-CD2 3.63Å; Y95-Y211 HydrophobicContact CE2-CD2 3.63Å; Y95-Y211 HydrophobicContact CE2-CE2 4.2Å; Y95-Y211 AromaticContact CZ-CD2 3.63Å; Y95-Y211 AromaticContact CZ-CE2 3.72Å; Y95-Y212 VanDerWaalsContact CB-CA 3.47Å; Y95-Y212 AromaticContact CD1-CD1 3.99Å; Y95-Y212 HydrophobicContact CD1-CD1 3.99Å; Y95-Y212 HydrophobicContact CD1-CG 4.47Å; Y95-Y212 HydrophobicContact CE1-CD1 4.1Å; Y95-L581 HydrophobicContact CE2-CD1 4.24Å
96	G	87.2	Confident	86.6	Confident	10 Å²	10	42.9 Å²	42.9	10%	0.103	23%	0.225	C	C	.	.	S	Bend	trans	82.3	-161.4	-178.5	0	0	0	0	0	115.1	W99 S206 S207	G96-W99 WeakPolarHBondContact O-CH2 3.45Å; G96-W99 WeakPolarHBondContact O-CZ2 3.42Å; G96-S206 PolarHBondContact N-O 3.07Å; G96-S207 WeakPolarHBondContact O-CA 2.81Å
97	K	85.3	Confident	86.4	Confident	97 Å²	97	46.5 Å²	46.5	42%	0.422	25%	0.245	S	C	.	.	S	Bend	trans	-111	3	-176.4	-68.6	-177.8	-178.7	-178.8	0	114.4	W99 E100	K97-W99 VanDerWaalsContact C-N 3.28Å; K97-W99 PolarHBondContact O-N 2.74Å; K97-E100 WeakPolarHBondContact O-CB 3.45Å; K97-E100 PolarHBondContact O-N 3.33Å; K97-E100 VanDerWaalsContact O-N 3.08Å
98	W	78.1	Confident	86.2	Confident	48 Å²	48	48.5 Å²	48.5	18%	0.182	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.7	-167	56.7	-100.2	0	0	0	113.8	Y95 Q101 C102 K529 F531 H555	Y95-W98 AromaticContact CE2-NE1 3.87Å; Y95-W98 PolarHBondContact O-NE1 2.95Å; W98-Q101 PolarHBondContact O-N 2.57Å; W98-C102 PolarHBondContact O-N 3.48Å; W98-C102 PolarHBondContact O-SG 3.24Å; W98-K529 PolarHBondContact O-NZ 3.17Å; W98-F531 HydrophobicContact CE3-CZ 4.1Å; W98-F531 AromaticContact CH2-CE1 3.93Å; W98-F531 HydrophobicContact CH2-CE1 3.93Å; W98-F531 AromaticContact CH2-CZ 3.66Å; W98-F531 HydrophobicContact CH2-CZ 3.66Å; W98-F531 HydrophobicContact CZ2-CE1 4.32Å; W98-F531 HydrophobicContact CZ2-CZ 4.39Å; W98-F531 HydrophobicContact CZ3-CE1 4.21Å; W98-F531 HydrophobicContact CZ3-CE2 4.24Å; W98-F531 AromaticContact CZ3-CZ 3.49Å; W98-F531 HydrophobicContact CZ3-CZ 3.49Å; W98-F531 VanDerWaalsContact CZ3-CZ 3.49Å; W98-H555 WeakPolarHBondContact CB-CE1 3.3Å
99	W	77.1	Confident	86.1	Confident	55 Å²	55	45.5 Å²	45.5	21%	0.208	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-26.1	173.4	53.7	80.4	0	0	0	113.1	A94 Y95 G96 K97 Q101 C102 A105	A94-W99 VanDerWaalsContact CA-CZ3 3.47Å; A94-W99 HydrophobicContact CB-CD2 4.19Å; A94-W99 HydrophobicContact CB-CE3 3.9Å; A94-W99 HydrophobicContact CB-CH2 3.41Å; A94-W99 VanDerWaalsContact CB-CH2 3.41Å; A94-W99 HydrophobicContact CB-CZ2 3.79Å; A94-W99 HydrophobicContact CB-CZ3 3.47Å; A94-W99 VanDerWaalsContact CB-CZ3 3.47Å; Y95-W99 VanDerWaalsContact CA-CZ3 3.42Å; Y95-W99 WeakPolarHBondContact O-CH2 3.33Å; Y95-W99 WeakPolarHBondContact O-CZ3 3.43Å; G96-W99 WeakPolarHBondContact O-CH2 3.45Å; G96-W99 WeakPolarHBondContact O-CZ2 3.42Å; K97-W99 VanDerWaalsContact C-N 3.28Å; K97-W99 PolarHBondContact O-N 2.74Å; W99-Q101 PolarHBondContact O-N 2.76Å; W99-C102 VanDerWaalsContact O-CB 3.32Å; W99-C102 WeakPolarHBondContact O-CB 3.32Å; W99-C102 PolarHBondContact O-N 2.92Å; W99-A105 WeakPolarHBondContact O-CB 3.44Å
100	E	79.7	Confident	85.8	Confident	101 Å²	101	53.7 Å²	53.7	47%	0.472	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.6	175.8	-54.9	-179.1	164.9	0	0	110.9	K97 A105 Q119	K97-E100 WeakPolarHBondContact O-CB 3.45Å; K97-E100 PolarHBondContact O-N 3.33Å; K97-E100 VanDerWaalsContact O-N 3.08Å; E100-A105 WeakPolarHBondContact O-CB 3.39Å; E100-Q119 PolarHBondContact OE1-NE2 3.22Å; E100-Q119 VanDerWaalsContact OE1-NE2 3.09Å
101	Q	78.4	Confident	85.4	Confident	134 Å²	134	55.7 Å²	55.7	63%	0.626	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	5.4	178.4	-57.8	173	6.3	0	0	112.1	W98 W99	W98-Q101 PolarHBondContact O-N 2.57Å; W99-Q101 PolarHBondContact O-N 2.76Å
102	C	79.6	Confident	85.1	Confident	18 Å²	18	58 Å²	58	12%	0.122	31%	0.305	C	S	.	.	S	Bend	trans	-70.3	149.9	172.1	-76	0	0	0	0	111.2	W98 W99 S104 A105 E501 K529	W98-C102 PolarHBondContact O-N 3.48Å; W98-C102 PolarHBondContact O-SG 3.24Å; W99-C102 VanDerWaalsContact O-CB 3.32Å; W99-C102 WeakPolarHBondContact O-CB 3.32Å; W99-C102 PolarHBondContact O-N 2.92Å; C102-S104 WeakPolarHBondContact CB-OG 3.32Å; C102-S104 PolarHBondContact O-N 2.77Å; C102-A105 HydrophobicContact CB-CB 4.33Å; C102-A105 WeakPolarHBondContact O-CB 3.48Å; C102-A105 PolarHBondContact O-N 3.27Å; C102-E501 WeakPolarHBondContact CA-OE1 3.46Å; C102-E501 WeakPolarHBondContact CB-OE1 3.34Å; C102-E501 PolarHBondContact SG-OE1 3.33Å; C102-K529 VanDerWaalsContact CA-NZ 3.34Å; C102-K529 PolarHBondContact SG-NZ 3.38Å
103	A	78.7	Confident	84.9	Confident	50 Å²	50	59 Å²	59	41%	0.413	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.8	167	0	0	0	0	0	111.3	A105 H447 E501	A103-A105 VanDerWaalsContact C-N 3.34Å; A103-H447 PolarHBondContact O-CE1 3.38Å; A103-H447 VanDerWaalsContact O-CE1 3.28Å; A103-H447 PolarHBondContact O-NE2 3.06Å; A103-E501 PolarHBondContact N-OE1 2.83Å
104	S	84.3	Confident	84.9	Confident	30 Å²	30	64.3 Å²	64.3	21%	0.21	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.1	174.4	57.4	0	0	0	0	115.2	C102 R422 H447 S475 E501	C102-S104 WeakPolarHBondContact CB-OG 3.32Å; C102-S104 PolarHBondContact O-N 2.77Å; S104-R422 PolarHBondContact O-NE 3.19Å; S104-H447 WeakPolarHBondContact CA-ND1 3.43Å; S104-S475 WeakPolarHBondContact CB-OG 3.47Å; S104-E501 WeakPolarHBondContact CB-OE2 3.15Å; S104-E501 PolarHBondContact OG-OE2 2.79Å
105	A	86.2	Confident	85.1	Confident	27 Å²	27	66.1 Å²	66.1	22%	0.223	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-65.9	129.5	-178.2	0	0	0	0	0	110.7	W99 E100 C102 A103	W99-A105 WeakPolarHBondContact O-CB 3.44Å; E100-A105 WeakPolarHBondContact O-CB 3.39Å; C102-A105 HydrophobicContact CB-CB 4.33Å; C102-A105 WeakPolarHBondContact O-CB 3.48Å; C102-A105 PolarHBondContact O-N 3.27Å; A103-A105 VanDerWaalsContact C-N 3.34Å
106	P	85.4	Confident	85.3	Confident	59 Å²	59	67 Å²	67	38%	0.383	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-67.2	143.3	172.4	29.7	-33.3	0	0	0	109.7	A108	P106-A108 PolarHBondContact O-N 3.3Å
107	L	88.3	Confident	85.6	Confident	123 Å²	123	68.8 Å²	68.8	64%	0.644	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-59.6	140	173.5	-68.1	171.1	0	0	0	110.4	R341	L107-R341 VanDerWaalsContact O-CZ 3.23Å; L107-R341 PolarHBondContact O-NH1 3.1Å; L107-R341 PolarHBondContact O-NH2 3.49Å
108	A	88.4	Confident	86	Confident	91 Å²	91	64.5 Å²	64.5	75%	0.752	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-59.1	144.5	176.2	0	0	0	0	0	111.6	P106 R341	P106-A108 PolarHBondContact O-N 3.3Å; A108-R341 PolarHBondContact O-NH1 3.33Å; A108-R341 VanDerWaalsContact O-NH1 3.13Å
109	F	92.1	Very high	86.8	Confident	26 Å²	26	64.5 Å²	64.5	11%	0.114	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-79.9	140.6	172.9	-79.5	-103.4	0	0	0	110.3	T112 Q314 R341 N343 E373	F109-T112 PolarHBondContact O-OG1 3.35Å; F109-Q314 HydrophobicContact CD1-CB 4.32Å; F109-R341 HydrophobicContact CD1-CB 4.44Å; F109-R341 HydrophobicContact CE1-CB 3.67Å; F109-R341 HydrophobicContact CZ-CB 4.03Å; F109-N343 HydrophobicContact CD1-CB 4.34Å; F109-N343 HydrophobicContact CD2-CB 4.26Å; F109-N343 HydrophobicContact CE1-CB 3.81Å; F109-N343 HydrophobicContact CE2-CB 3.74Å; F109-N343 HydrophobicContact CZ-CB 3.5Å; F109-E373 HydrophobicContact CE2-CG 4.17Å; F109-E373 HydrophobicContact CZ-CG 4.37Å
110	R	89.1	Confident	87.6	Confident	171 Å²	171	62.7 Å²	62.7	65%	0.645	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	156.8	168.6	-63.7	-177.3	-179.6	-175.7	-0.3	110.7	T112	R110-T112 PolarHBondContact O-N 3.15Å; R110-T112 VanDerWaalsContact O-N 3.15Å
111	R	87.8	Confident	88.4	Confident	42 Å²	42	58 Å²	58	16%	0.158	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	62	13.8	175.1	-54.3	173.5	169.4	-79.4	8	116	L284 L287 Q311	R111-L284 PolarHBondContact NH1-O 3.02Å; R111-L284 VanDerWaalsContact NH2-C 3.32Å; R111-L284 PolarHBondContact NH2-O 3.36Å; R111-L287 PolarHBondContact NH1-O 3.27Å; R111-Q311 PolarHBondContact NE-O 3.17Å; R111-Q311 VanDerWaalsContact NH2-CD 3.3Å
112	T	87.4	Confident	89.3	Confident	49 Å²	49	51.6 Å²	51.6	30%	0.301	30%	0.301	S	S	.	.			trans	-60.4	128.4	164.3	-54	0	0	0	0	108	F109 R110 N114 F116 P319	F109-T112 PolarHBondContact O-OG1 3.35Å; R110-T112 PolarHBondContact O-N 3.15Å; R110-T112 VanDerWaalsContact O-N 3.15Å; T112-N114 PolarHBondContact O-N 3.35Å; T112-F116 HydrophobicContact CG2-CB 4.27Å; T112-F116 HydrophobicContact CG2-CD1 3.76Å; T112-F116 HydrophobicContact CG2-CG 4.41Å; T112-P319 HydrophobicContact CG2-CG 4.06Å
113	P	90.9	Very high	90	Very high	25 Å²	25	51.2 Å²	51.2	16%	0.162	30%	0.298	C	S	.	.			trans	-57.3	139.2	-178.8	-26.2	35.7	0	0	0	111.9	G115 F116 T288 P319 Y320	P113-G115 PolarHBondContact O-N 2.93Å; P113-G115 VanDerWaalsContact O-N 3.16Å; P113-F116 HydrophobicContact CB-CB 4.18Å; P113-F116 HydrophobicContact CG-CB 4.47Å; P113-F116 WeakPolarHBondContact O-CB 3.46Å; P113-F116 PolarHBondContact O-N 3.23Å; P113-T288 HydrophobicContact CB-CG2 4.22Å; P113-T288 HydrophobicContact CG-CG2 4.27Å; P113-P319 HydrophobicContact CG-CB 4.12Å; P113-P319 HydrophobicContact CG-CG 4.5Å; P113-Y320 HydrophobicContact CG-CE1 4.27Å; P113-Y320 WeakPolarHBondContact CG-OH 3.5Å
114	N	87.4	Confident	90.9	Very high	157 Å²	157	48.8 Å²	48.8	84%	0.84	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.3	178.7	-68.7	-12.1	0	0	0	113	T112 F116 H117	T112-N114 PolarHBondContact O-N 3.35Å; N114-F116 VanDerWaalsContact C-N 3.34Å; N114-H117 PolarHBondContact O-CE1 3.32Å; N114-H117 PolarHBondContact O-NE2 3.32Å
115	G	88.3	Confident	91.5	Very high	60 Å²	60	47.4 Å²	47.4	62%	0.619	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	3	176	0	0	0	0	0	114.9	P113	P113-G115 PolarHBondContact O-N 2.93Å; P113-G115 VanDerWaalsContact O-N 3.16Å
116	F	92.1	Very high	92	Very high	33 Å²	33	46.3 Å²	46.3	15%	0.145	26%	0.258	C	S	.	.			trans	-92	104.1	174.7	-178.4	-99.2	0	0	0	109.4	T112 P113 N114 Q318 P319 W346	T112-F116 HydrophobicContact CG2-CB 4.27Å; T112-F116 HydrophobicContact CG2-CD1 3.76Å; T112-F116 HydrophobicContact CG2-CG 4.41Å; P113-F116 HydrophobicContact CB-CB 4.18Å; P113-F116 HydrophobicContact CG-CB 4.47Å; P113-F116 WeakPolarHBondContact O-CB 3.46Å; P113-F116 PolarHBondContact O-N 3.23Å; N114-F116 VanDerWaalsContact C-N 3.34Å; F116-Q318 HydrophobicContact CZ-CG 4.1Å; F116-P319 HydrophobicContact CB-CB 4.21Å; F116-P319 HydrophobicContact CB-CG 4.38Å; F116-P319 HydrophobicContact CD1-CB 4.26Å; F116-P319 HydrophobicContact CD1-CG 3.82Å; F116-P319 HydrophobicContact CD2-CB 3.68Å; F116-P319 HydrophobicContact CD2-CG 4.14Å; F116-P319 HydrophobicContact CE1-CG 4.09Å; F116-P319 HydrophobicContact CE2-CB 4.08Å; F116-P319 HydrophobicContact CE2-CG 4.4Å; F116-P319 HydrophobicContact CG-CB 3.77Å; F116-P319 HydrophobicContact CG-CG 3.83Å; F116-P319 HydrophobicContact CZ-CG 4.36Å; F116-W346 HydrophobicContact CE2-CZ3 4.06Å; F116-W346 HydrophobicContact CZ-CE3 4.39Å; F116-W346 HydrophobicContact CZ-CH2 4.06Å; F116-W346 AromaticContact CZ-CZ3 3.59Å; F116-W346 HydrophobicContact CZ-CZ3 3.59Å
117	H	93.4	Very high	92.4	Very high	49 Å²	49	48.1 Å²	48.1	23%	0.227	26%	0.262	C	S	.	.			trans	-109.7	-10	-176.8	-58.1	-62	0	0	0	113.6	N114 Q119 V147 P175 N205	N114-H117 PolarHBondContact O-CE1 3.32Å; N114-H117 PolarHBondContact O-NE2 3.32Å; H117-Q119 PolarHBondContact O-N 3.33Å; H117-V147 HydrophobicContact CB-CB 4.32Å; H117-V147 HydrophobicContact CB-CG1 4.22Å; H117-V147 HydrophobicContact CB-CG2 4.38Å; H117-P175 HydrophobicContact CB-CG 3.79Å; H117-N205 VanDerWaalsContact O-CB 3.31Å; H117-N205 WeakPolarHBondContact O-CB 3.34Å; H117-N205 PolarHBondContact O-ND2 3.27Å
118	S	94.4	Very high	92.6	Very high	7 Å²	7	44.6 Å²	44.6	5%	0.049	24%	0.242	C	C	.	.			trans	-62.5	130.1	-171.6	-52.7	0	0	0	0	113	E203	S118-E203 WeakPolarHBondContact CB-OE2 3.27Å; S118-E203 WeakPolarHBondContact OG-CB 3.45Å; S118-E203 PolarHBondContact OG-OE2 3.43Å
119	Q	93.1	Very high	92.9	Very high	47 Å²	47	43.6 Å²	43.6	22%	0.22	23%	0.228	C	C	.	.			trans	-113.4	-39	176.2	-71.6	-178	-31.8	0	0	112.3	E100 H117 V204 N205 W346	E100-Q119 PolarHBondContact OE1-NE2 3.22Å; E100-Q119 VanDerWaalsContact OE1-NE2 3.09Å; H117-Q119 PolarHBondContact O-N 3.33Å; Q119-V204 PolarHBondContact N-O 3.14Å; Q119-N205 HydrophobicContact CG-CB 4.45Å; Q119-N205 PolarHBondContact OE1-OD1 3.36Å; Q119-W346 WeakPolarHBondContact O-CZ2 3.36Å
120	D	95.1	Very high	93.1	Very high	18 Å²	18	42.4 Å²	42.4	10%	0.096	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	164.2	177.8	-83.1	-69.1	0	0	0	109.7	S57 S58 F92 E203 V204	S57-D120 WeakPolarHBondContact CB-OD1 3.33Å; S57-D120 WeakPolarHBondContact OG-CA 3.39Å; S57-D120 WeakPolarHBondContact OG-CB 3.37Å; S57-D120 VanDerWaalsContact OG-CG 3.3Å; S57-D120 PolarHBondContact OG-OD1 3.31Å; S58-D120 WeakPolarHBondContact CB-OD1 3.11Å; S58-D120 PolarHBondContact OG-OD1 3.02Å; F92-D120 HydrophobicContact CD1-CB 3.56Å; F92-D120 HydrophobicContact CE1-CB 3.74Å; F92-D120 HydrophobicContact CG-CB 4.23Å; D120-E203 WeakPolarHBondContact O-CA 3.42Å; D120-V204 HydrophobicContact CB-CG2 3.54Å; D120-V204 PolarHBondContact N-O 3.39Å; D120-V204 VanDerWaalsContact N-O 3.13Å; D120-V204 PolarHBondContact O-N 3.02Å
121	Y	96.2	Very high	93.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.4	175.6	75.3	-91.9	0	0	0	112.7	D55 F56 S57 E123 R201 L202 W346 C376	D55-Y121 HydrophobicContact CB-CE2 4.23Å; D55-Y121 WeakPolarHBondContact OD2-CE2 3.1Å; D55-Y121 PolarHBondContact OD2-OH 2.95Å; F56-Y121 VanDerWaalsContact CA-O 3.24Å; F56-Y121 WeakPolarHBondContact CA-O 3.4Å; F56-Y121 WeakPolarHBondContact CB-O 3.47Å; S57-Y121 PolarHBondContact N-O 3.03Å; S57-Y121 PolarHBondContact OG-N 3.15Å; S57-Y121 PolarHBondContact OG-O 2.92Å; Y121-E123 HydrophobicContact CD2-CG 3.95Å; Y121-E123 HydrophobicContact CE2-CG 3.99Å; Y121-R201 HydrophobicContact CD2-CG 4.43Å; Y121-R201 VanDerWaalsContact CD2-NH1 3.34Å; Y121-R201 VanDerWaalsContact CE2-NH1 3.34Å; Y121-R201 VanDerWaalsContact CG-NH2 3.3Å; Y121-L202 CarbonylContact C-O 3.33Å; Y121-L202 VanDerWaalsContact CA-O 3.22Å; Y121-L202 WeakPolarHBondContact CA-O 3.09Å; Y121-W346 HydrophobicContact CD1-CD2 4.03Å; Y121-W346 AromaticContact CD1-CE2 3.84Å; Y121-W346 HydrophobicContact CD1-CG 4.15Å; Y121-W346 HydrophobicContact CD1-CZ2 4.34Å; Y121-W346 AromaticContact CD1-NE1 3.89Å; Y121-W346 HydrophobicContact CE1-CB 4.46Å; Y121-W346 AromaticContact CE1-CD1 3.62Å; Y121-W346 HydrophobicContact CE1-CD2 4.26Å; Y121-W346 AromaticContact CE1-CG 3.88Å; Y121-W346 HydrophobicContact CE1-CG 3.88Å; Y121-W346 AromaticContact CE1-NE1 3.81Å; Y121-C376 HydrophobicContact CE1-CB 3.96Å; Y121-C376 VanDerWaalsContact OH-CB 3.25Å; Y121-C376 WeakPolarHBondContact OH-CB 3.4Å
122	I	96.4	Very high	93.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	139.7	167.5	-176.9	151.8	0	0	0	110.7	V53 D55 F56 M70 L73 F92 L124 R201 L202	V53-I122 HydrophobicContact CG1-CD1 3.66Å; V53-I122 HydrophobicContact CG1-CG1 3.78Å; V53-I122 HydrophobicContact CG2-CD1 4.33Å; D55-I122 CarbonylContact O-C 3.5Å; D55-I122 WeakPolarHBondContact O-CA 3.35Å; F56-I122 HydrophobicContact CB-CB 4.26Å; F56-I122 HydrophobicContact CB-CD1 4.39Å; F56-I122 HydrophobicContact CB-CG1 4.23Å; M70-I122 HydrophobicContact CB-CD1 3.81Å; M70-I122 HydrophobicContact CG-CD1 4.03Å; M70-I122 HydrophobicContact SD-CD1 3.61Å; L73-I122 HydrophobicContact CD1-CD1 3.48Å; L73-I122 VanDerWaalsContact CD1-CD1 3.48Å; L73-I122 HydrophobicContact CD1-CG1 4.47Å; F92-I122 HydrophobicContact CZ-CB 4.17Å; F92-I122 HydrophobicContact CZ-CG2 4.14Å; I122-L124 HydrophobicContact CD1-CD2 4.18Å; I122-L124 HydrophobicContact CG1-CD2 3.93Å; I122-L124 HydrophobicContact CG1-CG 4.33Å; I122-R201 CarbonylContact O-C 3.54Å; I122-R201 WeakPolarHBondContact O-CA 3.32Å; I122-L202 HydrophobicContact CG2-CB 3.86Å; I122-L202 HydrophobicContact CG2-CD1 4.41Å; I122-L202 HydrophobicContact CG2-CG 4.41Å; I122-L202 PolarHBondContact N-O 3.42Å; I122-L202 PolarHBondContact O-N 2.94Å
123	E	96.1	Very high	94.2	Very high	9 Å²	9	34.1 Å²	34.1	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128	177.2	-61.3	-172.5	177	0	0	110.1	L54 D55 Y121 F157 L199 L200 R201	L54-E123 HydrophobicContact CB-CB 4.38Å; L54-E123 PolarHBondContact N-O 3.19Å; D55-E123 HydrophobicContact CB-CB 4.12Å; D55-E123 HydrophobicContact CB-CG 4.25Å; D55-E123 PolarHBondContact O-N 3.41Å; Y121-E123 HydrophobicContact CD2-CG 3.95Å; Y121-E123 HydrophobicContact CE2-CG 3.99Å; E123-F157 WeakPolarHBondContact OE2-CE2 3.43Å; E123-L199 HydrophobicContact CB-CD1 4.24Å; E123-L200 CarbonylContact C-O 3.32Å; E123-L200 WeakPolarHBondContact CA-O 3.49Å; E123-R201 HydrophobicContact CG-CB 4.07Å; E123-R201 HydrophobicContact CG-CG 3.99Å; E123-R201 IonicContact OE1-CZ 2.69Å; E123-R201 IonicContact OE1-NH1 2.73Å; E123-R201 PolarHBondContact OE1-NH1 3.28Å
124	L	97.5	Very high	94.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.8	-171.7	-60.6	176	0	0	0	110.3	A50 V53 L73 I122 F126 L199 L200 L202 V218	A50-L124 HydrophobicContact CB-CB 4.18Å; A50-L124 HydrophobicContact CB-CD1 4.3Å; A50-L124 HydrophobicContact CB-CD2 4.38Å; V53-L124 HydrophobicContact CB-CD2 4.28Å; V53-L124 HydrophobicContact CG1-CD2 4.36Å; V53-L124 HydrophobicContact CG2-CD2 3.69Å; L73-L124 HydrophobicContact CB-CD2 4.2Å; L73-L124 HydrophobicContact CD1-CD2 4.49Å; I122-L124 HydrophobicContact CD1-CD2 4.18Å; I122-L124 HydrophobicContact CG1-CD2 3.93Å; I122-L124 HydrophobicContact CG1-CG 4.33Å; L124-F126 HydrophobicContact CB-CE2 3.96Å; L124-F126 HydrophobicContact CB-CZ 4.35Å; L124-F126 WeakPolarHBondContact O-CD2 3.46Å; L124-F126 WeakPolarHBondContact O-CE2 3.39Å; L124-L199 WeakPolarHBondContact O-CA 3.27Å; L124-L199 VanDerWaalsContact O-CD1 3.29Å; L124-L199 WeakPolarHBondContact O-CD1 3.01Å; L124-L200 PolarHBondContact N-O 2.96Å; L124-L200 PolarHBondContact O-N 3.39Å; L124-L202 HydrophobicContact CD1-CD1 4.05Å; L124-L202 HydrophobicContact CD1-CG 4.5Å; L124-V218 HydrophobicContact CD1-CB 3.75Å; L124-V218 HydrophobicContact CD1-CG1 4.11Å; L124-V218 HydrophobicContact CD1-CG2 3.49Å; L124-V218 VanDerWaalsContact CD1-CG2 3.49Å
125	G	96.5	Very high	95	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	140	174.4	0	0	0	0	0	111.6	K51 E52	K51-G125 WeakPolarHBondContact CB-O 3.17Å; K51-G125 PolarHBondContact N-O 2.65Å; E52-G125 PolarHBondContact N-O 3.14Å; E52-G125 PolarHBondContact O-N 2.68Å
126	F	96.3	Very high	95.5	Very high	5 Å²	5	24.4 Å²	24.4	2%	0.022	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	158.6	177	-64.4	-93.4	0	0	0	110.3	Q48 Y49 A50 L124 N198 L200 V218 L220	Q48-F126 HydrophobicContact CG-CB 4.45Å; Q48-F126 HydrophobicContact CG-CD1 4.03Å; Y49-F126 WeakPolarHBondContact O-CD1 3.45Å; A50-F126 HydrophobicContact CB-CE1 4.02Å; A50-F126 HydrophobicContact CB-CZ 4.11Å; L124-F126 HydrophobicContact CB-CE2 3.96Å; L124-F126 HydrophobicContact CB-CZ 4.35Å; L124-F126 WeakPolarHBondContact O-CD2 3.46Å; L124-F126 WeakPolarHBondContact O-CE2 3.39Å; F126-N198 HydrophobicContact CB-CB 4.19Å; F126-N198 PolarHBondContact N-O 3.21Å; F126-N198 PolarHBondContact O-ND2 3.1Å; F126-L200 HydrophobicContact CD2-CG 4.3Å; F126-L200 HydrophobicContact CE2-CB 3.91Å; F126-L200 HydrophobicContact CE2-CD1 3.67Å; F126-L200 HydrophobicContact CE2-CG 3.6Å; F126-L200 HydrophobicContact CZ-CD1 3.81Å; F126-L200 HydrophobicContact CZ-CG 4.26Å; F126-V218 HydrophobicContact CZ-CG1 4.13Å; F126-L220 HydrophobicContact CB-CD2 4.25Å; F126-L220 HydrophobicContact CD1-CB 3.61Å; F126-L220 HydrophobicContact CD1-CD2 4.21Å; F126-L220 HydrophobicContact CD2-CB 4.46Å; F126-L220 HydrophobicContact CD2-CD2 3.96Å; F126-L220 HydrophobicContact CE1-CB 3.43Å; F126-L220 VanDerWaalsContact CE1-CB 3.43Å; F126-L220 HydrophobicContact CE2-CB 4.33Å; F126-L220 HydrophobicContact CE2-CD2 4.39Å; F126-L220 HydrophobicContact CG-CB 4.13Å; F126-L220 HydrophobicContact CG-CD2 3.87Å; F126-L220 HydrophobicContact CZ-CB 3.83Å
127	E	93.8	Very high	95.8	Very high	97 Å²	97	22.9 Å²	22.9	45%	0.453	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	-52.2	-172.9	-169.7	66.5	-139.2	0	0	111.8	K51	K51-E127 WeakPolarHBondContact CD-OE2 3.24Å; K51-E127 WeakPolarHBondContact CE-OE2 3.29Å; K51-E127 IonicContact NZ-OE1 2.9Å; K51-E127 PolarHBondContact NZ-OE1 2.76Å; K51-E127 IonicContact NZ-OE2 3.82Å; K51-E127 PolarHBondContact NZ-OE2 3.49Å
128	E	92.8	Very high	96	Very high	48 Å²	48	21 Å²	21	22%	0.224	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.1	-174.2	-62	-170.9	140.2	0	0	111.2	R29 Q48 K224	R29-E128 IonicContact NH2-OE1 3.06Å; R29-E128 IonicContact NH2-OE2 2.92Å; Q48-E128 PolarHBondContact NE2-O 2.9Å; Q48-E128 PolarHBondContact OE1-O 2.79Å; E128-K224 IonicContact OE1-NZ 2.89Å; E128-K224 PolarHBondContact OE1-NZ 3.07Å; E128-K224 WeakPolarHBondContact OE2-CE 3.4Å; E128-K224 IonicContact OE2-NZ 3.59Å; E128-K224 PolarHBondContact OE2-NZ 2.65Å
129	P	94.6	Very high	96.1	Very high	71 Å²	71	20.6 Å²	20.6	46%	0.461	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130	172.6	30.3	-34.2	0	0	0	111	P196 T197 N198	P129-P196 HydrophobicContact CB-CB 4.15Å; P129-T197 WeakPolarHBondContact CA-O 3.25Å; P129-N198 HydrophobicContact CB-CB 4.22Å
130	V	95.3	Very high	96.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.2	-178.5	-62.6	0	0	0	0	111.4	V46 P132 P196 T197 L220	V46-V130 HydrophobicContact CB-CG1 4.03Å; V46-V130 HydrophobicContact CG1-CG1 4.34Å; V46-V130 HydrophobicContact CG2-CG1 4.38Å; V130-P132 VanDerWaalsContact O-CD 3.24Å; V130-P132 WeakPolarHBondContact O-CD 3.32Å; V130-P196 CarbonylContact O-C 3.53Å; V130-P196 VanDerWaalsContact O-CA 3.28Å; V130-P196 WeakPolarHBondContact O-CA 3.47Å; V130-T197 PolarHBondContact N-O 3.25Å; V130-T197 PolarHBondContact O-N 2.85Å; V130-L220 HydrophobicContact CG2-CD1 4.2Å; V130-L220 HydrophobicContact CG2-CD2 3.73Å; V130-L220 HydrophobicContact CG2-CG 3.78Å
131	Y	95.9	Very high	96.2	Very high	34 Å²	34	17.6 Å²	17.6	13%	0.133	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	111.1	164.1	-68.2	-91.3	0	0	0	108.3	T133 P196 G222 V223 E225 R226	Y131-T133 PolarHBondContact O-N 3.4Å; Y131-P196 HydrophobicContact CD2-CB 4.22Å; Y131-P196 HydrophobicContact CE2-CB 4.06Å; Y131-P196 HydrophobicContact CE2-CG 4.43Å; Y131-G222 CarbonylContact O-C 3.5Å; Y131-G222 WeakPolarHBondContact O-CA 3.27Å; Y131-V223 PolarHBondContact N-O 3.05Å; Y131-V223 PolarHBondContact O-N 2.81Å; Y131-V223 VanDerWaalsContact O-N 3.07Å; Y131-E225 WeakPolarHBondContact CD2-O 3.37Å; Y131-R226 HydrophobicContact CE1-CB 4.1Å; Y131-R226 HydrophobicContact CE1-CG 3.94Å; Y131-R226 HydrophobicContact CE2-CB 4.01Å
132	P	96.6	Very high	96	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.032	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	128.6	-172.5	-25.1	36.6	0	0	0	112.3	V130 L170 I190 I193 T197 L220 R221	V130-P132 VanDerWaalsContact O-CD 3.24Å; V130-P132 WeakPolarHBondContact O-CD 3.32Å; P132-L170 HydrophobicContact CB-CD1 4.3Å; P132-L170 HydrophobicContact CG-CD1 4.29Å; P132-I190 HydrophobicContact CB-CD1 3.62Å; P132-I193 HydrophobicContact CG-CD1 3.96Å; P132-I193 HydrophobicContact CG-CG1 4.31Å; P132-T197 HydrophobicContact CG-CG2 3.46Å; P132-T197 VanDerWaalsContact CG-CG2 3.46Å; P132-L220 HydrophobicContact CB-CD1 3.89Å; P132-L220 HydrophobicContact CG-CD1 4.08Å; P132-R221 CarbonylContact C-O 3.53Å; P132-R221 WeakPolarHBondContact CA-O 3.42Å
133	T	95.8	Very high	95.9	Very high	50 Å²	50	19.6 Å²	19.6	31%	0.307	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-32.9	170.1	52.8	0	0	0	0	111.2	E45 Y131 R221 G222 V223	E45-T133 WeakPolarHBondContact OE1-CB 3.49Å; E45-T133 PolarHBondContact OE1-OG1 3.21Å; Y131-T133 PolarHBondContact O-N 3.4Å; T133-R221 PolarHBondContact N-O 2.67Å; T133-R221 VanDerWaalsContact OG1-C 3.23Å; T133-R221 WeakPolarHBondContact OG1-CB 3.16Å; T133-R221 PolarHBondContact OG1-O 2.87Å; T133-G222 WeakPolarHBondContact OG1-CA 3.36Å; T133-G222 PolarHBondContact OG1-N 3.42Å; T133-V223 HydrophobicContact CG2-CG1 4.36Å
134	A	97.3	Very high	95.8	Very high	20 Å²	20	19.2 Å²	19.2	17%	0.165	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	156.9	172.2	0	0	0	0	0	111.9	R221	A134-R221 HydrophobicContact CB-CB 4.2Å; A134-R221 PolarHBondContact N-O 2.91Å; A134-R221 PolarHBondContact O-N 3.08Å
135	V	98.4	Very high	95.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.6	170.1	178.2	0	0	0	0	107.5	I149 L170 I190 L200 V218 I219 L220	V135-I149 HydrophobicContact CB-CD1 4.41Å; V135-I149 HydrophobicContact CG1-CD1 4.11Å; V135-I149 HydrophobicContact CG1-CG2 4.29Å; V135-I149 HydrophobicContact CG2-CG2 4.45Å; V135-L170 HydrophobicContact CG2-CD1 4.18Å; V135-I190 HydrophobicContact CG2-CD1 4.39Å; V135-L200 HydrophobicContact CB-CD1 4.49Å; V135-L200 HydrophobicContact CG1-CD1 3.83Å; V135-L200 HydrophobicContact CG2-CD1 3.77Å; V135-V218 HydrophobicContact CG1-CG1 4.21Å; V135-I219 WeakPolarHBondContact CA-O 3.32Å; V135-L220 HydrophobicContact CG2-CD1 4.05Å
136	E	98.3	Very high	95.6	Very high	18 Å²	18	19.3 Å²	19.3	8%	0.084	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.2	-176.5	-42.8	-175.2	114.2	0	0	109	Q185 F186 V218 I219 R221	E136-Q185 HydrophobicContact CB-CG 4.21Å; E136-Q185 PolarHBondContact OE1-NE2 2.89Å; E136-F186 CarbonylContact C-O 3.48Å; E136-F186 WeakPolarHBondContact CA-O 3.28Å; E136-V218 CarbonylContact O-C 3.59Å; E136-V218 VanDerWaalsContact O-CA 3.28Å; E136-V218 WeakPolarHBondContact O-CA 3.33Å; E136-I219 HydrophobicContact CB-CB 4.19Å; E136-I219 HydrophobicContact CG-CB 4.49Å; E136-I219 PolarHBondContact N-O 3.25Å; E136-I219 PolarHBondContact O-N 2.99Å; E136-R221 IonicContact OE1-NE 3.12Å; E136-R221 IonicContact OE2-CZ 3.44Å; E136-R221 IonicContact OE2-NE 3.98Å; E136-R221 PolarHBondContact OE2-NE 3.39Å; E136-R221 IonicContact OE2-NH2 2.66Å; E136-R221 PolarHBondContact OE2-NH2 3.26Å
137	V	98	Very high	95.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.3	178.6	-176.5	0	0	0	0	108.6	E139 I146 F186 L202 L215 V218	V137-E139 HydrophobicContact CG1-CG 4.24Å; V137-E139 PolarHBondContact O-N 3.15Å; V137-I146 HydrophobicContact CG1-CD1 4.33Å; V137-I146 HydrophobicContact CG1-CG1 4.41Å; V137-F186 HydrophobicContact CB-CB 4.41Å; V137-F186 HydrophobicContact CB-CD1 4.45Å; V137-F186 PolarHBondContact N-O 3.49Å; V137-F186 PolarHBondContact O-N 3.34Å; V137-L202 HydrophobicContact CG2-CD1 3.96Å; V137-L202 HydrophobicContact CG2-CD2 4.43Å; V137-L215 HydrophobicContact CG1-CD2 4.11Å; V137-V218 HydrophobicContact CG1-CG2 4.27Å; V137-V218 HydrophobicContact CG2-CG1 4.3Å; V137-V218 HydrophobicContact CG2-CG2 4.26Å
138	F	97.6	Very high	95.9	Very high	9 Å²	9	16 Å²	16	4%	0.039	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	103.6	176.2	-61.6	-80.9	0	0	0	109.5	Y49 P77 Y80 Q185 L215 D216 A217 I219	Y49-F138 HydrophobicContact CE1-CE2 4.47Å; P77-F138 HydrophobicContact CG-CD2 3.97Å; P77-F138 HydrophobicContact CG-CE2 3.97Å; P77-F138 HydrophobicContact CG-CG 4.4Å; P77-F138 HydrophobicContact CG-CZ 4.41Å; Y80-F138 AromaticContact CD1-CD1 3.51Å; Y80-F138 HydrophobicContact CD1-CD1 3.51Å; Y80-F138 AromaticContact CD1-CE1 3.68Å; Y80-F138 HydrophobicContact CD1-CE1 3.68Å; Y80-F138 HydrophobicContact CD1-CG 4.48Å; Y80-F138 HydrophobicContact CD2-CB 4.3Å; Y80-F138 AromaticContact CD2-CD1 3.66Å; Y80-F138 HydrophobicContact CD2-CD1 3.66Å; Y80-F138 HydrophobicContact CD2-CG 4.42Å; Y80-F138 AromaticContact CE1-CD1 3.72Å; Y80-F138 HydrophobicContact CE1-CD1 3.72Å; Y80-F138 AromaticContact CE1-CE1 3.61Å; Y80-F138 HydrophobicContact CE1-CE1 3.61Å; Y80-F138 AromaticContact CE2-CD1 3.88Å; Y80-F138 HydrophobicContact CE2-CD1 3.88Å; Y80-F138 HydrophobicContact CE2-CE1 4.49Å; Y80-F138 HydrophobicContact CG-CB 4.3Å; Y80-F138 AromaticContact CG-CD1 3.47Å; Y80-F138 HydrophobicContact CG-CD1 3.47Å; Y80-F138 VanDerWaalsContact CG-CD1 3.47Å; Y80-F138 HydrophobicContact CG-CE1 4.14Å; Y80-F138 HydrophobicContact CG-CG 4.18Å; Y80-F138 AromaticContact CZ-CD1 3.89Å; F138-Q185 HydrophobicContact CD1-CB 4.14Å; F138-Q185 HydrophobicContact CD1-CG 4.2Å; F138-Q185 HydrophobicContact CE1-CB 4.06Å; F138-Q185 HydrophobicContact CE1-CG 3.8Å; F138-Q185 HydrophobicContact CZ-CG 4.36Å; F138-L215 WeakPolarHBondContact O-CA 3.03Å; F138-D216 HydrophobicContact CB-CB 4.31Å; F138-D216 PolarHBondContact O-N 3.45Å; F138-A217 HydrophobicContact CD2-CB 3.87Å; F138-A217 WeakPolarHBondContact CD2-O 3.47Å; F138-A217 PolarHBondContact N-O 3.19Å; F138-I219 HydrophobicContact CE2-CD1 3.52Å; F138-I219 HydrophobicContact CE2-CG1 3.87Å; F138-I219 HydrophobicContact CZ-CD1 3.67Å
139	E	96.3	Very high	96.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119	175.7	-61.5	176.1	101.7	0	0	108.3	V137 P143 G144 A145 A183 R184 F186 E214 L215	V137-E139 HydrophobicContact CG1-CG 4.24Å; V137-E139 PolarHBondContact O-N 3.15Å; E139-P143 HydrophobicContact CB-CB 3.55Å; E139-P143 HydrophobicContact CG-CB 4.22Å; E139-G144 PolarHBondContact OE1-N 2.82Å; E139-A145 PolarHBondContact OE1-N 3.21Å; E139-A183 CarbonylContact O-C 3.58Å; E139-A183 WeakPolarHBondContact O-CA 3.42Å; E139-R184 HydrophobicContact CB-CG 4.34Å; E139-R184 PolarHBondContact N-O 3.44Å; E139-R184 PolarHBondContact O-N 3.06Å; E139-R184 IonicContact OE1-NH2 3.06Å; E139-R184 IonicContact OE2-CZ 3.9Å; E139-R184 IonicContact OE2-NE 3.77Å; E139-R184 PolarHBondContact OE2-NE 3.32Å; E139-R184 IonicContact OE2-NH2 3.3Å; E139-R184 PolarHBondContact OE2-NH2 3.38Å; E139-F186 WeakPolarHBondContact OE2-CB 3.38Å; E139-E214 CarbonylContact C-O 3.54Å; E139-E214 WeakPolarHBondContact CA-O 3.11Å; E139-L215 HydrophobicContact CB-CD2 4.37Å; E139-L215 HydrophobicContact CG-CD2 3.67Å
140	T	95.7	Very high	96.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-16.5	-170.9	50.5	0	0	0	0	114.1	V79 S83 G84 A183 E214 D216	V79-T140 HydrophobicContact CB-CG2 4.19Å; V79-T140 HydrophobicContact CG1-CG2 3.95Å; S83-T140 WeakPolarHBondContact CA-O 3.43Å; S83-T140 PolarHBondContact OG-O 3.01Å; G84-T140 PolarHBondContact N-O 3.42Å; T140-A183 HydrophobicContact CG2-CB 4.42Å; T140-E214 PolarHBondContact N-O 3.26Å; T140-E214 PolarHBondContact OG1-O 3.32Å; T140-D216 HydrophobicContact CG2-CB 3.67Å
141	Y	94.4	Very high	96.3	Very high	1 Å²	1	10.6 Å²	10.6	0%	0.004	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	131	-179.7	-161.3	-134.7	0	0	0	110.2	G84 D85 Y211 Y212 T213 E214 F611	G84-Y141 VanDerWaalsContact CA-CD2 3.42Å; G84-Y141 WeakPolarHBondContact O-CB 3.48Å; D85-Y141 HydrophobicContact CB-CD1 4.33Å; D85-Y141 HydrophobicContact CB-CE1 3.9Å; D85-Y141 HydrophobicContact CB-CE2 4.29Å; Y141-Y211 HydrophobicContact CD1-CD1 4.42Å; Y141-Y211 AromaticContact CE1-CD1 3.4Å; Y141-Y211 HydrophobicContact CE1-CD1 3.4Å; Y141-Y211 AromaticContact CE1-CE1 3.67Å; Y141-Y211 HydrophobicContact CE1-CE1 3.67Å; Y141-Y211 AromaticContact CZ-CD1 3.81Å; Y141-Y211 WeakPolarHBondContact OH-CD1 3.42Å; Y141-Y212 AromaticContact CD1-CD2 3.87Å; Y141-Y212 HydrophobicContact CD1-CD2 3.87Å; Y141-Y212 AromaticContact CD1-CE2 3.73Å; Y141-Y212 HydrophobicContact CD1-CE2 3.73Å; Y141-Y212 WeakPolarHBondContact CD1-O 3.09Å; Y141-Y212 HydrophobicContact CE1-CD2 4.03Å; Y141-Y212 AromaticContact CE1-CE2 3.61Å; Y141-Y212 HydrophobicContact CE1-CE2 3.61Å; Y141-T213 VanDerWaalsContact O-CA 3.27Å; Y141-T213 WeakPolarHBondContact O-CA 3.35Å; Y141-T213 PolarHBondContact O-OG1 3.05Å; Y141-E214 HydrophobicContact CD1-CG 3.91Å; Y141-E214 HydrophobicContact CG-CG 4.18Å; Y141-E214 PolarHBondContact O-N 3.27Å; Y141-F611 HydrophobicContact CD2-CE1 4.45Å; Y141-F611 HydrophobicContact CD2-CE2 4.32Å; Y141-F611 HydrophobicContact CD2-CZ 4.02Å; Y141-F611 AromaticContact CE2-CD1 3.98Å; Y141-F611 HydrophobicContact CE2-CD1 3.98Å; Y141-F611 HydrophobicContact CE2-CD2 4.37Å; Y141-F611 AromaticContact CE2-CE1 3.53Å; Y141-F611 HydrophobicContact CE2-CE1 3.53Å; Y141-F611 AromaticContact CE2-CE2 3.96Å; Y141-F611 HydrophobicContact CE2-CE2 3.96Å; Y141-F611 HydrophobicContact CE2-CG 4.38Å; Y141-F611 AromaticContact CE2-CZ 3.52Å; Y141-F611 HydrophobicContact CE2-CZ 3.52Å
142	Y	93.3	Very high	96.2	Very high	43 Å²	43	9 Å²	9	17%	0.169	5%	0.049	C	C	.	.	S	Bend	trans	39.3	67.6	-176.6	-70.3	-88.8	0	0	0	113.4	P181 L209 D210 Y211 T213 F611	Y142-P181 HydrophobicContact CD1-CB 4.13Å; Y142-P181 HydrophobicContact CD2-CB 4.49Å; Y142-P181 HydrophobicContact CE1-CB 4.07Å; Y142-P181 HydrophobicContact CE2-CB 4.44Å; Y142-P181 HydrophobicContact CG-CB 4.36Å; Y142-L209 VanDerWaalsContact O-CD1 3.3Å; Y142-L209 WeakPolarHBondContact O-CD1 3.25Å; Y142-D210 HydrophobicContact CD1-CB 4.22Å; Y142-D210 HydrophobicContact CE1-CB 3.78Å; Y142-Y211 HydrophobicContact CD2-CD1 4.23Å; Y142-Y211 AromaticContact CE2-CD1 3.91Å; Y142-Y211 HydrophobicContact CE2-CD1 3.91Å; Y142-Y211 HydrophobicContact CE2-CG 4.22Å; Y142-T213 WeakPolarHBondContact O-CB 3.3Å; Y142-T213 PolarHBondContact O-OG1 2.96Å; Y142-T213 VanDerWaalsContact O-OG1 3.05Å; Y142-F611 HydrophobicContact CE2-CE1 4.24Å
143	P	94.1	Very high	96	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.013	5%	0.053	C	C	.	.			trans	-71.6	157.4	-177.9	30.7	-35.5	0	0	0	112.5	E139 A178 Q182 R184	E139-P143 HydrophobicContact CB-CB 3.55Å; E139-P143 HydrophobicContact CG-CB 4.22Å; P143-A178 HydrophobicContact CB-CB 4.47Å; P143-A178 HydrophobicContact CG-CB 3.65Å; P143-A178 VanDerWaalsContact O-CB 3.31Å; P143-A178 WeakPolarHBondContact O-CB 3.49Å; P143-A178 PolarHBondContact O-N 3.16Å; P143-Q182 WeakPolarHBondContact CG-O 3.31Å; P143-R184 HydrophobicContact CB-CG 3.84Å; P143-R184 HydrophobicContact CG-CG 4.19Å
144	G	93.4	Very high	95.6	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.01	6%	0.062	C	C	.	.			trans	127	-1.5	179.5	0	0	0	0	0	115.2	E139 T176	E139-G144 PolarHBondContact OE1-N 2.82Å; G144-T176 CarbonylContact C-O 3.49Å; G144-T176 WeakPolarHBondContact CA-O 3.43Å; G144-T176 PolarHBondContact O-N 2.53Å; G144-T176 PolarHBondContact O-OG1 3.19Å
145	A	94.4	Very high	94.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.058	C	C	.	.			trans	-75.9	-27.2	-171.9	0	0	0	0	0	113.9	E139 V147 V204 N205 L209 T213	E139-A145 PolarHBondContact OE1-N 3.21Å; A145-V147 PolarHBondContact O-N 3.48Å; A145-V204 HydrophobicContact CB-CB 4.12Å; A145-V204 HydrophobicContact CB-CG1 4.39Å; A145-V204 CarbonylContact O-C 3.46Å; A145-V204 WeakPolarHBondContact O-CA 3.16Å; A145-N205 PolarHBondContact O-N 3.49Å; A145-L209 HydrophobicContact CB-CD1 3.84Å; A145-T213 HydrophobicContact CB-CG2 3.67Å
146	I	96.5	Very high	94.2	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.01	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	119.6	-174.2	-53.8	-69.1	0	0	0	109.9	V137 I149 W171 F186 L202 V204 L215	V137-I146 HydrophobicContact CG1-CD1 4.33Å; V137-I146 HydrophobicContact CG1-CG1 4.41Å; I146-I149 HydrophobicContact CG2-CG1 4.1Å; I146-W171 HydrophobicContact CG2-CZ3 4.03Å; I146-W171 WeakPolarHBondContact O-CH2 3.35Å; I146-W171 WeakPolarHBondContact O-CZ3 3.23Å; I146-F186 HydrophobicContact CB-CD1 4.28Å; I146-F186 HydrophobicContact CB-CE1 4.02Å; I146-F186 HydrophobicContact CG1-CD1 4.41Å; I146-F186 HydrophobicContact CG2-CD1 4.36Å; I146-F186 HydrophobicContact CG2-CE1 3.85Å; I146-L202 HydrophobicContact CD1-CB 4.31Å; I146-L202 HydrophobicContact CD1-CD1 4.37Å; I146-V204 HydrophobicContact CD1-CG1 3.61Å; I146-L215 HydrophobicContact CD1-CD1 4.23Å; I146-L215 HydrophobicContact CD1-CD2 4.49Å
147	V	97.1	Very high	93.3	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.018	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-20.1	179	-67.6	0	0	0	0	113	H117 A145 S172 G173 P175 E203 N205	H117-V147 HydrophobicContact CB-CB 4.32Å; H117-V147 HydrophobicContact CB-CG1 4.22Å; H117-V147 HydrophobicContact CB-CG2 4.38Å; A145-V147 PolarHBondContact O-N 3.48Å; V147-S172 CarbonylContact O-C 3.55Å; V147-S172 VanDerWaalsContact O-CA 3.3Å; V147-S172 WeakPolarHBondContact O-CA 3.41Å; V147-G173 PolarHBondContact O-N 2.8Å; V147-P175 HydrophobicContact CG1-CB 4.24Å; V147-P175 HydrophobicContact CG1-CG 3.98Å; V147-E203 HydrophobicContact CG2-CB 4.46Å; V147-E203 WeakPolarHBondContact CG2-O 3.42Å; V147-E203 PolarHBondContact N-O 3.18Å; V147-N205 HydrophobicContact CG1-CB 3.73Å; V147-N205 HydrophobicContact CG2-CB 4.22Å
148	Q	97.3	Very high	92.4	Very high	28 Å²	28	17.3 Å²	17.3	13%	0.131	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	141.7	178.7	-152.4	166.9	-40.7	0	0	112.3	L150 V169 W171 E203	Q148-L150 HydrophobicContact CB-CD1 4.18Å; Q148-L150 HydrophobicContact CG-CD1 3.81Å; Q148-L150 HydrophobicContact CG-CG 4.22Å; Q148-V169 HydrophobicContact CG-CG1 3.92Å; Q148-V169 VanDerWaalsContact NE2-CG2 3.28Å; Q148-W171 WeakPolarHBondContact CA-O 3.46Å; Q148-W171 WeakPolarHBondContact CG-O 3.35Å; Q148-E203 HydrophobicContact CB-CB 3.97Å; Q148-E203 HydrophobicContact CB-CG 4.34Å; Q148-E203 PolarHBondContact N-O 3.28Å; Q148-E203 PolarHBondContact O-N 2.94Å
149	I	98.3	Very high	91.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.4	170.5	-55.3	-179.6	0	0	0	107.4	V135 I146 L170 W171 F186 P188 R201 L202	V135-I149 HydrophobicContact CB-CD1 4.41Å; V135-I149 HydrophobicContact CG1-CD1 4.11Å; V135-I149 HydrophobicContact CG1-CG2 4.29Å; V135-I149 HydrophobicContact CG2-CG2 4.45Å; I146-I149 HydrophobicContact CG2-CG1 4.1Å; I149-L170 HydrophobicContact CB-CB 4.48Å; I149-L170 HydrophobicContact CG2-CB 4.26Å; I149-L170 HydrophobicContact CG2-CD1 4.18Å; I149-L170 WeakPolarHBondContact O-CB 3.45Å; I149-L170 PolarHBondContact O-N 2.93Å; I149-W171 HydrophobicContact CB-CB 4.36Å; I149-W171 HydrophobicContact CD1-CE3 4.43Å; I149-W171 HydrophobicContact CG1-CE3 4.14Å; I149-W171 PolarHBondContact N-O 3.05Å; I149-W171 PolarHBondContact O-N 2.96Å; I149-F186 HydrophobicContact CD1-CE1 4.4Å; I149-P188 HydrophobicContact CD1-CG 3.81Å; I149-R201 WeakPolarHBondContact CA-O 3.33Å; I149-L202 HydrophobicContact CB-CD2 4.28Å; I149-L202 HydrophobicContact CD1-CD2 4.31Å; I149-L202 HydrophobicContact CG1-CD2 3.79Å; I149-L202 HydrophobicContact CG2-CD2 3.95Å
150	L	97.1	Very high	90.3	Very high	7 Å²	7	33 Å²	33	4%	0.037	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.1	177.6	-51.9	90.7	0	0	0	110.9	Q148 W167 E168 V169 L200 R201 E203 W321	Q148-L150 HydrophobicContact CB-CD1 4.18Å; Q148-L150 HydrophobicContact CG-CD1 3.81Å; Q148-L150 HydrophobicContact CG-CG 4.22Å; L150-W167 HydrophobicContact CB-CE3 3.75Å; L150-W167 HydrophobicContact CB-CZ3 4.2Å; L150-W167 HydrophobicContact CD2-CB 4.44Å; L150-E168 CarbonylContact C-O 3.56Å; L150-E168 VanDerWaalsContact CA-O 3.26Å; L150-E168 WeakPolarHBondContact CA-O 3.46Å; L150-V169 HydrophobicContact CD2-CG2 4.09Å; L150-V169 HydrophobicContact CG-CG2 4.33Å; L150-L200 CarbonylContact O-C 3.51Å; L150-L200 VanDerWaalsContact O-CA 3.26Å; L150-L200 WeakPolarHBondContact O-CA 3.33Å; L150-R201 HydrophobicContact CB-CB 4.32Å; L150-R201 HydrophobicContact CD1-CB 4.28Å; L150-R201 HydrophobicContact CD1-CG 4.22Å; L150-R201 PolarHBondContact N-O 3.44Å; L150-R201 PolarHBondContact O-N 3.26Å; L150-E203 HydrophobicContact CD1-CG 3.84Å; L150-W321 HydrophobicContact CD2-CZ2 4.31Å
151	A	97	Very high	89.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.9	171	0	0	0	0	0	110.4	W167 E168 L170 I193 F195 T197 L200	A151-W167 WeakPolarHBondContact O-CA 3.37Å; A151-E168 PolarHBondContact N-O 2.99Å; A151-E168 PolarHBondContact O-N 3.38Å; A151-L170 HydrophobicContact CB-CD1 3.89Å; A151-L170 HydrophobicContact CB-CD2 3.88Å; A151-L170 HydrophobicContact CB-CG 3.81Å; A151-I193 HydrophobicContact CB-CD1 3.8Å; A151-F195 HydrophobicContact CB-CE2 4.42Å; A151-T197 HydrophobicContact CB-CG2 3.84Å; A151-L200 HydrophobicContact CB-CD2 4.11Å
152	C	94.4	Very high	88.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.5	175	-171.7	0	0	0	0	111.2	H154 R166 W167 T197 L199 R350	C152-H154 VanDerWaalsContact C-N 3.27Å; C152-H154 PolarHBondContact O-N 2.99Å; C152-H154 PolarHBondContact SG-O 2.99Å; C152-R166 WeakPolarHBondContact CA-O 3.46Å; C152-W167 HydrophobicContact CB-CD2 3.8Å; C152-W167 HydrophobicContact CB-CE3 3.66Å; C152-W167 HydrophobicContact CB-CH2 3.66Å; C152-W167 HydrophobicContact CB-CZ2 3.78Å; C152-W167 HydrophobicContact CB-CZ3 3.59Å; C152-T197 PolarHBondContact N-OG1 3.49Å; C152-T197 WeakPolarHBondContact O-CB 3.49Å; C152-T197 PolarHBondContact O-OG1 3.22Å; C152-L199 HydrophobicContact CB-CB 3.99Å; C152-L199 HydrophobicContact CB-CD2 3.7Å; C152-L199 HydrophobicContact CB-CG 3.83Å; C152-L199 PolarHBondContact N-O 3.38Å; C152-R350 PolarHBondContact SG-NH2 2.77Å
153	S	91.5	Very high	87.3	Confident	17 Å²	17	43.2 Å²	43.2	12%	0.119	24%	0.235	C	C	.	.	S	Bend	trans	-62.1	-33.2	-178.1	64.7	0	0	0	0	113.9	R166 F195	S153-R166 PolarHBondContact N-O 2.96Å; S153-R166 PolarHBondContact OG-N 2.86Å; S153-F195 VanDerWaalsContact CA-CD2 3.44Å
154	H	86.4	Confident	86.5	Confident	108 Å²	108	49 Å²	49	50%	0.5	27%	0.267	S	S	.	.	S	Bend	trans	-147	144	176.7	-62.5	107.7	0	0	0	109.8	C152 P162 V165 R350	C152-H154 VanDerWaalsContact C-N 3.27Å; C152-H154 PolarHBondContact O-N 2.99Å; C152-H154 PolarHBondContact SG-O 2.99Å; H154-P162 HydrophobicContact CB-CB 3.94Å; H154-P162 HydrophobicContact CB-CG 3.56Å; H154-V165 HydrophobicContact CB-CG1 3.91Å; H154-R350 PolarHBondContact O-NH1 2.97Å; H154-R350 PolarHBondContact O-NH2 2.9Å
155	N	84.5	Confident	86.2	Confident	16 Å²	16	50.1 Å²	50.1	9%	0.086	27%	0.273	C	S	.	.			trans	-71.2	123.2	-180	-172.7	-22.6	0	0	0	111.4	F157 S158 P162 R350	N155-F157 PolarHBondContact O-N 3.42Å; N155-F157 WeakPolarHBondContact OD1-CB 3.4Å; N155-F157 WeakPolarHBondContact OD1-CD2 3.39Å; N155-F157 PolarHBondContact OD1-N 2.63Å; N155-S158 PolarHBondContact O-OG 3.28Å; N155-P162 WeakPolarHBondContact O-CD 3.48Å; N155-R350 VanDerWaalsContact C-NH1 3.26Å
156	P	81.9	Confident	85.8	Confident	14 Å²	14	55.7 Å²	55.7	9%	0.091	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.2	178	2.8	0.7	0	0	0	114.2	L199 R350	P156-L199 HydrophobicContact CG-CD2 4Å; P156-R350 VanDerWaalsContact CA-CZ 3.42Å; P156-R350 HydrophobicContact CB-CG 3.86Å; P156-R350 VanDerWaalsContact CB-NE 3.34Å; P156-R350 VanDerWaalsContact CD-CZ 3.44Å; P156-R350 VanDerWaalsContact CD-NH2 3.28Å
157	F	80.2	Confident	85.7	Confident	62 Å²	62	57.1 Å²	57.1	27%	0.272	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	4.8	-170.4	-52	-83.8	0	0	0	111.4	L54 D55 E123 N155	L54-F157 HydrophobicContact CB-CD2 3.77Å; L54-F157 HydrophobicContact CB-CE2 3.78Å; L54-F157 HydrophobicContact CB-CG 4.3Å; L54-F157 HydrophobicContact CB-CZ 4.34Å; L54-F157 HydrophobicContact CD1-CD2 3.83Å; L54-F157 HydrophobicContact CD1-CE2 4.38Å; L54-F157 HydrophobicContact CD2-CB 3.92Å; L54-F157 HydrophobicContact CD2-CD2 4.16Å; L54-F157 HydrophobicContact CD2-CG 4.15Å; L54-F157 HydrophobicContact CG-CD2 4.14Å; D55-F157 HydrophobicContact CB-CZ 4.06Å; E123-F157 WeakPolarHBondContact OE2-CE2 3.43Å; N155-F157 PolarHBondContact O-N 3.42Å; N155-F157 WeakPolarHBondContact OD1-CB 3.4Å; N155-F157 WeakPolarHBondContact OD1-CD2 3.39Å; N155-F157 PolarHBondContact OD1-N 2.63Å
158	S	78.4	Confident	85.6	Confident	50 Å²	50	58.6 Å²	58.6	35%	0.35	31%	0.306	S	S	.	.	S	Bend	trans	-64.7	155.7	172.8	55.4	0	0	0	0	111.5	N155 N160	N155-S158 PolarHBondContact O-OG 3.28Å; S158-N160 PolarHBondContact O-N 2.77Å; S158-N160 PolarHBondContact OG-O 2.76Å
159	Q	74.1	Confident	85.5	Confident	194 Å²	194	59.7 Å²	59.7	91%	0.907	31%	0.314	S	S	*	.	S	Bend	trans	-55.1	-35.7	178.3	-67.3	-179.6	1.1	0	0	112.6	P161	Q159-P161 WeakPolarHBondContact O-CD 3.05Å
160	N	75.6	Confident	85.5	Confident	145 Å²	145	59.9 Å²	59.9	78%	0.775	32%	0.315	S	S	*	.	S	Bend	trans	-109.1	92.9	170.1	-65.4	-29.3	0	0	0	108.2	S158	S158-N160 PolarHBondContact O-N 2.77Å; S158-N160 PolarHBondContact OG-O 2.76Å
161	P	72	Confident	85.5	Confident	82 Å²	82	62.3 Å²	62.3	53%	0.532	32%	0.324	S	S	.	.			trans	-69.9	134.8	-179.1	26.6	-33	0	0	0	110.1	Q159	Q159-P161 WeakPolarHBondContact O-CD 3.05Å
162	P	77.4	Confident	85.5	Confident	31 Å²	31	66 Å²	66	20%	0.201	35%	0.35	C	S	.	.			trans	-68.6	148.5	177	33.2	-40.2	0	0	0	110.6	H154 N155 V165	H154-P162 HydrophobicContact CB-CB 3.94Å; H154-P162 HydrophobicContact CB-CG 3.56Å; N155-P162 WeakPolarHBondContact O-CD 3.48Å; P162-V165 HydrophobicContact CB-CG1 4.35Å; P162-V165 HydrophobicContact CG-CG1 3.65Å
163	T	71.1	Confident	85.5	Confident	145 Å²	145	67 Å²	67	89%	0.89	36%	0.361	S	S	*	.	S	Bend	trans	-70.1	-35	178.4	46.4	0	0	0	0	113
164	D	78.1	Confident	85.6	Confident	125 Å²	125	73.2 Å²	73.2	67%	0.668	39%	0.388	S	S	*	.			trans	-132.7	147.3	178.6	-171.8	25.6	0	0	0	111
165	V	86	Confident	85.8	Confident	24 Å²	24	69 Å²	69	15%	0.145	37%	0.37	C	S	.	.			trans	-144.8	150.8	176	-79.4	0	0	0	0	114.4	H154 P162 R350	H154-V165 HydrophobicContact CB-CG1 3.91Å; P162-V165 HydrophobicContact CB-CG1 4.35Å; P162-V165 HydrophobicContact CG-CG1 3.65Å; V165-R350 VanDerWaalsContact CB-NH2 3.25Å
166	R	87.9	Confident	86.1	Confident	117 Å²	117	71.5 Å²	71.5	44%	0.442	39%	0.386	S	S	.	.			trans	-118.1	130.3	177.5	-178.4	179.6	174.9	-176.1	0.5	109.2	C152 S153 E168 F195	C152-R166 WeakPolarHBondContact CA-O 3.46Å; S153-R166 PolarHBondContact N-O 2.96Å; S153-R166 PolarHBondContact OG-N 2.86Å; R166-E168 HydrophobicContact CG-CG 4.32Å; R166-E168 IonicContact CZ-OE1 3.11Å; R166-E168 IonicContact NE-OE1 2.92Å; R166-E168 PolarHBondContact NE-OE1 3.28Å; R166-E168 VanDerWaalsContact NH2-CD 3.33Å; R166-E168 IonicContact NH2-OE1 3.03Å; R166-E168 PolarHBondContact NH2-OE1 2.94Å; R166-E168 IonicContact NH2-OE2 3.84Å; R166-F195 HydrophobicContact CG-CE1 4.44Å
167	W	92.6	Very high	86.3	Confident	31 Å²	31	75.7 Å²	75.7	12%	0.117	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.7	163.6	-69.8	93.6	0	0	0	109.3	L150 A151 C152 L199 R201 W321 A322	L150-W167 HydrophobicContact CB-CE3 3.75Å; L150-W167 HydrophobicContact CB-CZ3 4.2Å; L150-W167 HydrophobicContact CD2-CB 4.44Å; A151-W167 WeakPolarHBondContact O-CA 3.37Å; C152-W167 HydrophobicContact CB-CD2 3.8Å; C152-W167 HydrophobicContact CB-CE3 3.66Å; C152-W167 HydrophobicContact CB-CH2 3.66Å; C152-W167 HydrophobicContact CB-CZ2 3.78Å; C152-W167 HydrophobicContact CB-CZ3 3.59Å; W167-L199 HydrophobicContact CH2-CD2 3.93Å; W167-L199 HydrophobicContact CH2-CG 3.9Å; W167-L199 HydrophobicContact CZ2-CD2 4.15Å; W167-R201 HydrophobicContact CE3-CB 4.33Å; W167-R201 HydrophobicContact CH2-CB 3.75Å; W167-R201 HydrophobicContact CZ3-CB 3.43Å; W167-R201 VanDerWaalsContact CZ3-CB 3.43Å; W167-W321 AromaticContact CD1-CH2 3.69Å; W167-W321 AromaticContact CD1-CZ3 3.81Å; W167-W321 AromaticContact CD2-CH2 3.7Å; W167-W321 HydrophobicContact CD2-CH2 3.7Å; W167-W321 HydrophobicContact CD2-CZ2 4.49Å; W167-W321 HydrophobicContact CD2-CZ3 4.49Å; W167-W321 AromaticContact CE2-CH2 3.5Å; W167-W321 AromaticContact CE2-CZ3 3.99Å; W167-W321 HydrophobicContact CE3-CH2 4.38Å; W167-W321 AromaticContact CG-CH2 3.81Å; W167-W321 HydrophobicContact CG-CH2 3.81Å; W167-W321 HydrophobicContact CG-CZ3 4.37Å; W167-W321 HydrophobicContact CZ2-CH2 4Å; W167-W321 AromaticContact NE1-CH2 3.49Å; W167-W321 AromaticContact NE1-CZ3 3.53Å; W167-A322 HydrophobicContact CB-CB 3.86Å; W167-A322 HydrophobicContact CG-CB 4.05Å
168	E	95.1	Very high	86.6	Confident	35 Å²	35	73.9 Å²	73.9	16%	0.164	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.4	170.9	-79.7	-69.4	141.8	0	0	109.8	L150 A151 R166 L170 K191 I193 F195	L150-E168 CarbonylContact C-O 3.56Å; L150-E168 VanDerWaalsContact CA-O 3.26Å; L150-E168 WeakPolarHBondContact CA-O 3.46Å; A151-E168 PolarHBondContact N-O 2.99Å; A151-E168 PolarHBondContact O-N 3.38Å; R166-E168 HydrophobicContact CG-CG 4.32Å; R166-E168 IonicContact CZ-OE1 3.11Å; R166-E168 IonicContact NE-OE1 2.92Å; R166-E168 PolarHBondContact NE-OE1 3.28Å; R166-E168 VanDerWaalsContact NH2-CD 3.33Å; R166-E168 IonicContact NH2-OE1 3.03Å; R166-E168 PolarHBondContact NH2-OE1 2.94Å; R166-E168 IonicContact NH2-OE2 3.84Å; E168-L170 PolarHBondContact O-N 3.4Å; E168-K191 IonicContact OE2-NZ 2.75Å; E168-K191 PolarHBondContact OE2-NZ 3.44Å; E168-I193 HydrophobicContact CB-CG2 3.92Å; E168-I193 HydrophobicContact CG-CG2 4.41Å; E168-F195 HydrophobicContact CB-CE1 4.27Å; E168-F195 HydrophobicContact CB-CZ 3.93Å; E168-F195 HydrophobicContact CG-CE1 3.65Å; E168-F195 HydrophobicContact CG-CZ 3.81Å
169	V	96.3	Very high	86.8	Confident	51 Å²	51	80.1 Å²	80.1	31%	0.309	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	116.6	172.9	-175.7	0	0	0	0	108.4	Q148 L150 W171	Q148-V169 HydrophobicContact CG-CG1 3.92Å; Q148-V169 VanDerWaalsContact NE2-CG2 3.28Å; L150-V169 HydrophobicContact CD2-CG2 4.09Å; L150-V169 HydrophobicContact CG-CG2 4.33Å; V169-W171 WeakPolarHBondContact CG1-O 3.17Å
170	L	97.9	Very high	87.1	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.021	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-39.6	172	-64.2	-171.7	0	0	0	110.7	P132 V135 I149 A151 E168 I190 K191 I193 L200	P132-L170 HydrophobicContact CB-CD1 4.3Å; P132-L170 HydrophobicContact CG-CD1 4.29Å; V135-L170 HydrophobicContact CG2-CD1 4.18Å; I149-L170 HydrophobicContact CB-CB 4.48Å; I149-L170 HydrophobicContact CG2-CB 4.26Å; I149-L170 HydrophobicContact CG2-CD1 4.18Å; I149-L170 WeakPolarHBondContact O-CB 3.45Å; I149-L170 PolarHBondContact O-N 2.93Å; A151-L170 HydrophobicContact CB-CD1 3.89Å; A151-L170 HydrophobicContact CB-CD2 3.88Å; A151-L170 HydrophobicContact CB-CG 3.81Å; E168-L170 PolarHBondContact O-N 3.4Å; L170-I190 HydrophobicContact CB-CB 4.16Å; L170-I190 HydrophobicContact CB-CG2 4.17Å; L170-I190 CarbonylContact O-C 3.58Å; L170-I190 WeakPolarHBondContact O-CA 3.42Å; L170-K191 WeakPolarHBondContact O-CB 3.44Å; L170-K191 PolarHBondContact O-N 3.08Å; L170-I193 HydrophobicContact CD2-CB 4.48Å; L170-I193 HydrophobicContact CD2-CD1 4.13Å; L170-I193 HydrophobicContact CD2-CG1 4.19Å; L170-I193 HydrophobicContact CD2-CG2 3.52Å; L170-L200 HydrophobicContact CD1-CD2 3.99Å
171	W	98	Very high	87.4	Confident	57 Å²	57	69.7 Å²	69.7	22%	0.216	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	146.8	180	177.7	84.7	0	0	0	110.5	I146 Q148 I149 V169 F186 P188 I190	I146-W171 HydrophobicContact CG2-CZ3 4.03Å; I146-W171 WeakPolarHBondContact O-CH2 3.35Å; I146-W171 WeakPolarHBondContact O-CZ3 3.23Å; Q148-W171 WeakPolarHBondContact CA-O 3.46Å; Q148-W171 WeakPolarHBondContact CG-O 3.35Å; I149-W171 HydrophobicContact CB-CB 4.36Å; I149-W171 HydrophobicContact CD1-CE3 4.43Å; I149-W171 HydrophobicContact CG1-CE3 4.14Å; I149-W171 PolarHBondContact N-O 3.05Å; I149-W171 PolarHBondContact O-N 2.96Å; V169-W171 WeakPolarHBondContact CG1-O 3.17Å; W171-F186 HydrophobicContact CD2-CZ 4.43Å; W171-F186 HydrophobicContact CE3-CE1 4.4Å; W171-F186 HydrophobicContact CE3-CZ 4.3Å; W171-F186 HydrophobicContact CH2-CE1 4.27Å; W171-F186 AromaticContact CH2-CZ 3.58Å; W171-F186 HydrophobicContact CH2-CZ 3.58Å; W171-F186 HydrophobicContact CZ2-CE2 4.49Å; W171-F186 AromaticContact CZ2-CZ 3.72Å; W171-F186 HydrophobicContact CZ2-CZ 3.72Å; W171-F186 HydrophobicContact CZ3-CE1 4.13Å; W171-F186 AromaticContact CZ3-CZ 3.89Å; W171-F186 HydrophobicContact CZ3-CZ 3.89Å; W171-P188 HydrophobicContact CB-CG 4.38Å; W171-P188 HydrophobicContact CD2-CB 3.9Å; W171-P188 HydrophobicContact CD2-CG 4.06Å; W171-P188 HydrophobicContact CG-CB 3.75Å; W171-P188 HydrophobicContact CG-CG 3.95Å; W171-I190 HydrophobicContact CB-CG2 4.42Å
172	S	96.7	Very high	88.3	Confident	77 Å²	77	71.1 Å²	71.1	54%	0.538	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	142.5	173.1	57.9	0	0	0	0	110.1	V147	V147-S172 CarbonylContact O-C 3.55Å; V147-S172 VanDerWaalsContact O-CA 3.3Å; V147-S172 WeakPolarHBondContact O-CA 3.41Å
173	G	94.4	Very high	89.1	Confident	23 Å²	23	70.8 Å²	70.8	24%	0.237	38%	0.383	C	S	.	.			trans	-148.2	167.2	175.8	0	0	0	0	0	111.8	V147	V147-G173 PolarHBondContact O-N 2.8Å
174	E	92.8	Very high	90.2	Very high	146 Å²	146	67.4 Å²	67.4	68%	0.682	35%	0.354	S	S	*	.			trans	-71.6	155.4	170.8	-62.8	-170.9	164.3	0	0	110.4	T176	E174-T176 WeakPolarHBondContact O-CG2 3.47Å; E174-T176 PolarHBondContact O-N 3.39Å
175	P	90.4	Very high	91.1	Very high	20 Å²	20	65.2 Å²	65.2	13%	0.13	34%	0.34	C	S	.	.			trans	-53.9	131.6	169.8	-22.4	32.5	0	0	0	109.5	H117 V147 N205 L208	H117-P175 HydrophobicContact CB-CG 3.79Å; V147-P175 HydrophobicContact CG1-CB 4.24Å; V147-P175 HydrophobicContact CG1-CG 3.98Å; P175-N205 HydrophobicContact CB-CB 4.29Å; P175-N205 HydrophobicContact CG-CB 4.02Å; P175-L208 HydrophobicContact CB-CD1 3.85Å; P175-L208 HydrophobicContact CB-CG 4.03Å; P175-L208 WeakPolarHBondContact O-CD1 3.41Å
176	T	90.3	Very high	91.6	Very high	68 Å²	68	65.7 Å²	65.7	42%	0.417	34%	0.34	S	S	.	.			trans	-121.9	156.9	177.9	60.2	0	0	0	0	110.3	G144 E174	G144-T176 CarbonylContact C-O 3.49Å; G144-T176 WeakPolarHBondContact CA-O 3.43Å; G144-T176 PolarHBondContact O-N 2.53Å; G144-T176 PolarHBondContact O-OG1 3.19Å; E174-T176 WeakPolarHBondContact O-CG2 3.47Å; E174-T176 PolarHBondContact O-N 3.39Å
177	K	87.6	Confident	92	Very high	103 Å²	103	62.9 Å²	62.9	45%	0.448	34%	0.338	S	S	.	.			trans	-119.9	117.6	169.4	179	-173.1	175	173.8	0	107.2	L208 D210	K177-L208 HydrophobicContact CB-CB 4.32Å; K177-L208 WeakPolarHBondContact CD-O 3.44Å; K177-D210 VanDerWaalsContact CE-CG 3.48Å; K177-D210 WeakPolarHBondContact CE-OD1 3.42Å; K177-D210 WeakPolarHBondContact CE-OD2 3.35Å; K177-D210 IonicContact NZ-OD1 2.7Å; K177-D210 PolarHBondContact NZ-OD1 2.86Å; K177-D210 IonicContact NZ-OD2 3.28Å; K177-D210 PolarHBondContact NZ-OD2 2.97Å
178	A	86.1	Confident	92.2	Very high	23 Å²	23	62.2 Å²	62.2	19%	0.19	34%	0.338	C	S	.	.			trans	-63.2	142.8	171.7	0	0	0	0	0	110.5	P143 T180	P143-A178 HydrophobicContact CB-CB 4.47Å; P143-A178 HydrophobicContact CG-CB 3.65Å; P143-A178 VanDerWaalsContact O-CB 3.31Å; P143-A178 WeakPolarHBondContact O-CB 3.49Å; P143-A178 PolarHBondContact O-N 3.16Å; A178-T180 VanDerWaalsContact C-N 3.27Å; A178-T180 PolarHBondContact O-N 2.93Å
179	L	83	Confident	92.3	Very high	181 Å²	181	70.3 Å²	70.3	95%	0.948	37%	0.372	S	S	*	.	S	Bend	trans	-65.7	-32.8	-179.4	-69.9	173	0	0	0	112.4
180	T	80.8	Confident	92.4	Very high	76 Å²	76	68.8 Å²	68.8	47%	0.466	36%	0.363	S	S	.	.	S	Bend	trans	-119.2	143.4	176.9	56.9	0	0	0	0	109.5	A178 Q182	A178-T180 VanDerWaalsContact C-N 3.27Å; A178-T180 PolarHBondContact O-N 2.93Å; T180-Q182 PolarHBondContact O-N 3.32Å
181	P	81.7	Confident	92.3	Very high	45 Å²	45	74 Å²	74	29%	0.292	39%	0.385	S	S	.	.			trans	-81.4	27.8	178.7	36.9	-38.2	0	0	0	112.2	S83 Y142 F611	S83-P181 PolarHBondContact OG-O 3.05Å; Y142-P181 HydrophobicContact CD1-CB 4.13Å; Y142-P181 HydrophobicContact CD2-CB 4.49Å; Y142-P181 HydrophobicContact CE1-CB 4.07Å; Y142-P181 HydrophobicContact CE2-CB 4.44Å; Y142-P181 HydrophobicContact CG-CB 4.36Å; P181-F611 HydrophobicContact CB-CZ 3.91Å; P181-F611 HydrophobicContact CG-CE1 4.3Å; P181-F611 HydrophobicContact CG-CZ 3.73Å
182	Q	89.8	Confident	92.1	Very high	112 Å²	112	78.1 Å²	78.1	52%	0.523	41%	0.406	S	S	.	.			trans	-80.7	151.5	-178.1	-74.8	-176.3	-18.9	0	0	111.6	S83 P143 T180	S83-Q182 WeakPolarHBondContact OG-CA 3.49Å; P143-Q182 WeakPolarHBondContact CG-O 3.31Å; T180-Q182 PolarHBondContact O-N 3.32Å
183	A	94.4	Very high	91.9	Very high	24 Å²	24	75.5 Å²	75.5	20%	0.198	39%	0.386	C	S	.	.			trans	-60.1	141.3	175.8	0	0	0	0	0	111	Y80 S82 S83 E139 T140	Y80-A183 HydrophobicContact CD2-CB 4.16Å; Y80-A183 HydrophobicContact CE2-CB 4.43Å; S82-A183 VanDerWaalsContact O-CB 3.28Å; S82-A183 WeakPolarHBondContact O-CB 3.28Å; S83-A183 VanDerWaalsContact CB-N 3.34Å; S83-A183 PolarHBondContact OG-N 3.46Å; E139-A183 CarbonylContact O-C 3.58Å; E139-A183 WeakPolarHBondContact O-CA 3.42Å; T140-A183 HydrophobicContact CG2-CB 4.42Å
184	R	94.7	Very high	91.8	Very high	74 Å²	74	78.4 Å²	78.4	28%	0.279	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.5	176.1	73.6	176.7	-168.4	-173	-3.5	111.8	E139 P143	E139-R184 HydrophobicContact CB-CG 4.34Å; E139-R184 PolarHBondContact N-O 3.44Å; E139-R184 PolarHBondContact O-N 3.06Å; E139-R184 IonicContact OE1-NH2 3.06Å; E139-R184 IonicContact OE2-CZ 3.9Å; E139-R184 IonicContact OE2-NE 3.77Å; E139-R184 PolarHBondContact OE2-NE 3.32Å; E139-R184 IonicContact OE2-NH2 3.3Å; E139-R184 PolarHBondContact OE2-NH2 3.38Å; P143-R184 HydrophobicContact CB-CG 3.84Å; P143-R184 HydrophobicContact CG-CG 4.19Å
185	Q	95.9	Very high	91.8	Very high	79 Å²	79	72.6 Å²	72.6	37%	0.369	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	104	164.6	-178	176.7	-32.8	0	0	108.6	Y80 E136 F138 S187	Y80-Q185 HydrophobicContact CE2-CB 4.48Å; E136-Q185 HydrophobicContact CB-CG 4.21Å; E136-Q185 PolarHBondContact OE1-NE2 2.89Å; F138-Q185 HydrophobicContact CD1-CB 4.14Å; F138-Q185 HydrophobicContact CD1-CG 4.2Å; F138-Q185 HydrophobicContact CE1-CB 4.06Å; F138-Q185 HydrophobicContact CE1-CG 3.8Å; F138-Q185 HydrophobicContact CZ-CG 4.36Å; Q185-S187 PolarHBondContact O-N 2.68Å
186	F	96.3	Very high	92	Very high	33 Å²	33	73.8 Å²	73.8	15%	0.145	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	110.8	175.2	178.2	-112.4	0	0	0	109.9	E136 V137 E139 I146 I149 W171 P188	E136-F186 CarbonylContact C-O 3.48Å; E136-F186 WeakPolarHBondContact CA-O 3.28Å; V137-F186 HydrophobicContact CB-CB 4.41Å; V137-F186 HydrophobicContact CB-CD1 4.45Å; V137-F186 PolarHBondContact N-O 3.49Å; V137-F186 PolarHBondContact O-N 3.34Å; E139-F186 WeakPolarHBondContact OE2-CB 3.38Å; I146-F186 HydrophobicContact CB-CD1 4.28Å; I146-F186 HydrophobicContact CB-CE1 4.02Å; I146-F186 HydrophobicContact CG1-CD1 4.41Å; I146-F186 HydrophobicContact CG2-CD1 4.36Å; I146-F186 HydrophobicContact CG2-CE1 3.85Å; I149-F186 HydrophobicContact CD1-CE1 4.4Å; W171-F186 HydrophobicContact CD2-CZ 4.43Å; W171-F186 HydrophobicContact CE3-CE1 4.4Å; W171-F186 HydrophobicContact CE3-CZ 4.3Å; W171-F186 HydrophobicContact CH2-CE1 4.27Å; W171-F186 AromaticContact CH2-CZ 3.58Å; W171-F186 HydrophobicContact CH2-CZ 3.58Å; W171-F186 HydrophobicContact CZ2-CE2 4.49Å; W171-F186 AromaticContact CZ2-CZ 3.72Å; W171-F186 HydrophobicContact CZ2-CZ 3.72Å; W171-F186 HydrophobicContact CZ3-CE1 4.13Å; W171-F186 AromaticContact CZ3-CZ 3.89Å; W171-F186 HydrophobicContact CZ3-CZ 3.89Å; F186-P188 HydrophobicContact CD1-CG 4.28Å; F186-P188 HydrophobicContact CE1-CB 4.21Å; F186-P188 HydrophobicContact CE1-CG 3.6Å; F186-P188 HydrophobicContact CE2-CB 4.32Å; F186-P188 HydrophobicContact CZ-CB 3.79Å; F186-P188 HydrophobicContact CZ-CG 3.72Å
187	S	97	Very high	92.2	Very high	59 Å²	59	70.5 Å²	70.5	41%	0.413	36%	0.356	S	S	.	.			trans	-130.3	81.4	-177.9	-171.9	0	0	0	0	110	Q185	Q185-S187 PolarHBondContact O-N 2.68Å
188	P	97.2	Very high	92.6	Very high	17 Å²	17	67.1 Å²	67.1	11%	0.11	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-74.6	157.2	-179.1	31.4	-35.3	0	0	0	111.7	I149 W171 F186 I190	I149-P188 HydrophobicContact CD1-CG 3.81Å; W171-P188 HydrophobicContact CB-CG 4.38Å; W171-P188 HydrophobicContact CD2-CB 3.9Å; W171-P188 HydrophobicContact CD2-CG 4.06Å; W171-P188 HydrophobicContact CG-CB 3.75Å; W171-P188 HydrophobicContact CG-CG 3.95Å; F186-P188 HydrophobicContact CD1-CG 4.28Å; F186-P188 HydrophobicContact CE1-CB 4.21Å; F186-P188 HydrophobicContact CE1-CG 3.6Å; F186-P188 HydrophobicContact CE2-CB 4.32Å; F186-P188 HydrophobicContact CZ-CB 3.79Å; F186-P188 HydrophobicContact CZ-CG 3.72Å; P188-I190 PolarHBondContact O-N 3.13Å
189	K	97.5	Very high	93.1	Very high	204 Å²	204	66 Å²	66	89%	0.887	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-69.6	118	168.7	-67.7	-176.7	-179.6	179.2	0	109.5
190	I	97.5	Very high	93.8	Very high	20 Å²	20	57.4 Å²	57.4	10%	0.103	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-95.1	147.9	-178.9	61.1	170.6	0	0	0	112.5	P132 V135 L170 W171 P188	P132-I190 HydrophobicContact CB-CD1 3.62Å; V135-I190 HydrophobicContact CG2-CD1 4.39Å; L170-I190 HydrophobicContact CB-CB 4.16Å; L170-I190 HydrophobicContact CB-CG2 4.17Å; L170-I190 CarbonylContact O-C 3.58Å; L170-I190 WeakPolarHBondContact O-CA 3.42Å; W171-I190 HydrophobicContact CB-CG2 4.42Å; P188-I190 PolarHBondContact O-N 3.13Å
191	K	96.8	Very high	94.6	Very high	113 Å²	113	53.9 Å²	53.9	49%	0.491	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-68.5	132.9	169.4	179.1	-168.6	172.6	-167.7	0	109.7	E168 L170	E168-K191 IonicContact OE2-NZ 2.75Å; E168-K191 PolarHBondContact OE2-NZ 3.44Å; L170-K191 WeakPolarHBondContact O-CB 3.44Å; L170-K191 PolarHBondContact O-N 3.08Å
192	H	92.6	Very high	95.3	Very high	144 Å²	144	51.7 Å²	51.7	67%	0.667	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-68.6	134.3	171.2	-65.5	-66.7	0	0	0	111.6
193	I	93.6	Very high	95.7	Very high	21 Å²	21	46.4 Å²	46.4	11%	0.108	23%	0.228	C	C	.	.			trans	-110.9	158.9	175.2	56.1	167.1	0	0	0	110.8	P132 A151 E168 L170 F195 T197	P132-I193 HydrophobicContact CG-CD1 3.96Å; P132-I193 HydrophobicContact CG-CG1 4.31Å; A151-I193 HydrophobicContact CB-CD1 3.8Å; E168-I193 HydrophobicContact CB-CG2 3.92Å; E168-I193 HydrophobicContact CG-CG2 4.41Å; L170-I193 HydrophobicContact CD2-CB 4.48Å; L170-I193 HydrophobicContact CD2-CD1 4.13Å; L170-I193 HydrophobicContact CD2-CG1 4.19Å; L170-I193 HydrophobicContact CD2-CG2 3.52Å; I193-F195 HydrophobicContact CD1-CD2 3.79Å; I193-F195 HydrophobicContact CD1-CE2 3.56Å; I193-F195 HydrophobicContact CD1-CG 4.47Å; I193-F195 HydrophobicContact CD1-CZ 4.05Å; I193-F195 VanDerWaalsContact CD1-O 3.25Å; I193-F195 WeakPolarHBondContact CD1-O 3.26Å; I193-T197 HydrophobicContact CD1-CG2 4.26Å
194	N	91.3	Very high	95.8	Very high	85 Å²	85	45.3 Å²	45.3	46%	0.455	22%	0.219	S	C	.	.	S	Bend	trans	-100.4	12.4	-175.2	69.5	-19.1	0	0	0	113.9
195	F	93.1	Very high	95.8	Very high	23 Å²	23	42.4 Å²	42.4	10%	0.101	21%	0.209	C	C	.	.	S	Bend	trans	-134.3	150.1	175.1	56	-101.8	0	0	0	110	A151 S153 R166 E168 I193	A151-F195 HydrophobicContact CB-CE2 4.42Å; S153-F195 VanDerWaalsContact CA-CD2 3.44Å; R166-F195 HydrophobicContact CG-CE1 4.44Å; E168-F195 HydrophobicContact CB-CE1 4.27Å; E168-F195 HydrophobicContact CB-CZ 3.93Å; E168-F195 HydrophobicContact CG-CE1 3.65Å; E168-F195 HydrophobicContact CG-CZ 3.81Å; I193-F195 HydrophobicContact CD1-CD2 3.79Å; I193-F195 HydrophobicContact CD1-CE2 3.56Å; I193-F195 HydrophobicContact CD1-CG 4.47Å; I193-F195 HydrophobicContact CD1-CZ 4.05Å; I193-F195 VanDerWaalsContact CD1-O 3.25Å; I193-F195 WeakPolarHBondContact CD1-O 3.26Å
196	P	94.3	Very high	95.6	Very high	45 Å²	45	38.7 Å²	38.7	29%	0.292	19%	0.192	S	C	.	.			trans	-75.9	150.9	172.3	35	-35.4	0	0	0	110.1	P129 V130 Y131	P129-P196 HydrophobicContact CB-CB 4.15Å; V130-P196 CarbonylContact O-C 3.53Å; V130-P196 VanDerWaalsContact O-CA 3.28Å; V130-P196 WeakPolarHBondContact O-CA 3.47Å; Y131-P196 HydrophobicContact CD2-CB 4.22Å; Y131-P196 HydrophobicContact CE2-CB 4.06Å; Y131-P196 HydrophobicContact CE2-CG 4.43Å
197	T	95.5	Very high	95.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145.1	179.6	-171	0	0	0	0	111	P129 V130 P132 A151 C152 I193 L199 L200	P129-T197 WeakPolarHBondContact CA-O 3.25Å; V130-T197 PolarHBondContact N-O 3.25Å; V130-T197 PolarHBondContact O-N 2.85Å; P132-T197 HydrophobicContact CG-CG2 3.46Å; P132-T197 VanDerWaalsContact CG-CG2 3.46Å; A151-T197 HydrophobicContact CB-CG2 3.84Å; C152-T197 PolarHBondContact N-OG1 3.49Å; C152-T197 WeakPolarHBondContact O-CB 3.49Å; C152-T197 PolarHBondContact O-OG1 3.22Å; I193-T197 HydrophobicContact CD1-CG2 4.26Å; T197-L199 PolarHBondContact OG1-N 3.31Å; T197-L199 PolarHBondContact OG1-O 2.69Å; T197-L199 VanDerWaalsContact OG1-O 3.06Å; T197-L200 HydrophobicContact CG2-CD2 4.26Å
198	N	95.7	Very high	95.1	Very high	32 Å²	32	38.5 Å²	38.5	17%	0.171	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	21.2	165.6	71	-30.5	0	0	0	111.4	F126 P129	F126-N198 HydrophobicContact CB-CB 4.19Å; F126-N198 PolarHBondContact N-O 3.21Å; F126-N198 PolarHBondContact O-ND2 3.1Å; P129-N198 HydrophobicContact CB-CB 4.22Å
199	L	96	Very high	94.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	115.4	-178.6	173.1	58.3	0	0	0	109.5	L54 E123 L124 C152 P156 W167 T197	L54-L199 HydrophobicContact CD1-CD1 3.54Å; E123-L199 HydrophobicContact CB-CD1 4.24Å; L124-L199 WeakPolarHBondContact O-CA 3.27Å; L124-L199 VanDerWaalsContact O-CD1 3.29Å; L124-L199 WeakPolarHBondContact O-CD1 3.01Å; C152-L199 HydrophobicContact CB-CB 3.99Å; C152-L199 HydrophobicContact CB-CD2 3.7Å; C152-L199 HydrophobicContact CB-CG 3.83Å; C152-L199 PolarHBondContact N-O 3.38Å; P156-L199 HydrophobicContact CG-CD2 4Å; W167-L199 HydrophobicContact CH2-CD2 3.93Å; W167-L199 HydrophobicContact CH2-CG 3.9Å; W167-L199 HydrophobicContact CZ2-CD2 4.15Å; T197-L199 PolarHBondContact OG1-N 3.31Å; T197-L199 PolarHBondContact OG1-O 2.69Å; T197-L199 VanDerWaalsContact OG1-O 3.06Å
200	L	97.8	Very high	94.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.8	172.8	-58.5	-178.2	0	0	0	110.5	E123 L124 F126 V135 L150 A151 L170 T197 L220	E123-L200 CarbonylContact C-O 3.32Å; E123-L200 WeakPolarHBondContact CA-O 3.49Å; L124-L200 PolarHBondContact N-O 2.96Å; L124-L200 PolarHBondContact O-N 3.39Å; F126-L200 HydrophobicContact CD2-CG 4.3Å; F126-L200 HydrophobicContact CE2-CB 3.91Å; F126-L200 HydrophobicContact CE2-CD1 3.67Å; F126-L200 HydrophobicContact CE2-CG 3.6Å; F126-L200 HydrophobicContact CZ-CD1 3.81Å; F126-L200 HydrophobicContact CZ-CG 4.26Å; V135-L200 HydrophobicContact CB-CD1 4.49Å; V135-L200 HydrophobicContact CG1-CD1 3.83Å; V135-L200 HydrophobicContact CG2-CD1 3.77Å; L150-L200 CarbonylContact O-C 3.51Å; L150-L200 VanDerWaalsContact O-CA 3.26Å; L150-L200 WeakPolarHBondContact O-CA 3.33Å; A151-L200 HydrophobicContact CB-CD2 4.11Å; L170-L200 HydrophobicContact CD1-CD2 3.99Å; T197-L200 HydrophobicContact CG2-CD2 4.26Å; L200-L220 HydrophobicContact CD1-CB 4.34Å; L200-L220 HydrophobicContact CD1-CD1 4.26Å
201	R	97.2	Very high	93.9	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126	165.6	177.7	173.8	168.4	125.1	-2	108.7	Y121 I122 E123 I149 L150 W167 E203 W321	Y121-R201 HydrophobicContact CD2-CG 4.43Å; Y121-R201 VanDerWaalsContact CD2-NH1 3.34Å; Y121-R201 VanDerWaalsContact CE2-NH1 3.34Å; Y121-R201 VanDerWaalsContact CG-NH2 3.3Å; I122-R201 CarbonylContact O-C 3.54Å; I122-R201 WeakPolarHBondContact O-CA 3.32Å; E123-R201 HydrophobicContact CG-CB 4.07Å; E123-R201 HydrophobicContact CG-CG 3.99Å; E123-R201 IonicContact OE1-CZ 2.69Å; E123-R201 IonicContact OE1-NH1 2.73Å; E123-R201 PolarHBondContact OE1-NH1 3.28Å; I149-R201 WeakPolarHBondContact CA-O 3.33Å; L150-R201 HydrophobicContact CB-CB 4.32Å; L150-R201 HydrophobicContact CD1-CB 4.28Å; L150-R201 HydrophobicContact CD1-CG 4.22Å; L150-R201 PolarHBondContact N-O 3.44Å; L150-R201 PolarHBondContact O-N 3.26Å; W167-R201 HydrophobicContact CE3-CB 4.33Å; W167-R201 HydrophobicContact CH2-CB 3.75Å; W167-R201 HydrophobicContact CZ3-CB 3.43Å; W167-R201 VanDerWaalsContact CZ3-CB 3.43Å; R201-E203 HydrophobicContact CG-CG 4.16Å; R201-E203 IonicContact CZ-OE1 3.98Å; R201-E203 IonicContact NE-OE1 3.65Å; R201-E203 PolarHBondContact NE-OE1 2.99Å; R201-E203 IonicContact NH2-OE1 2.71Å; R201-E203 PolarHBondContact NH2-OE1 3.45Å; R201-E203 VanDerWaalsContact NH2-OE1 3.11Å; R201-W321 VanDerWaalsContact CD-CZ2 3.48Å; R201-W321 VanDerWaalsContact NE-CZ2 3.34Å
202	L	98.1	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.9	171	-52.1	-178.5	0	0	0	107.5	Y121 I122 L124 V137 I146 I149 V218	Y121-L202 CarbonylContact C-O 3.33Å; Y121-L202 VanDerWaalsContact CA-O 3.22Å; Y121-L202 WeakPolarHBondContact CA-O 3.09Å; I122-L202 HydrophobicContact CG2-CB 3.86Å; I122-L202 HydrophobicContact CG2-CD1 4.41Å; I122-L202 HydrophobicContact CG2-CG 4.41Å; I122-L202 PolarHBondContact N-O 3.42Å; I122-L202 PolarHBondContact O-N 2.94Å; L124-L202 HydrophobicContact CD1-CD1 4.05Å; L124-L202 HydrophobicContact CD1-CG 4.5Å; V137-L202 HydrophobicContact CG2-CD1 3.96Å; V137-L202 HydrophobicContact CG2-CD2 4.43Å; I146-L202 HydrophobicContact CD1-CB 4.31Å; I146-L202 HydrophobicContact CD1-CD1 4.37Å; I149-L202 HydrophobicContact CB-CD2 4.28Å; I149-L202 HydrophobicContact CD1-CD2 4.31Å; I149-L202 HydrophobicContact CG1-CD2 3.79Å; I149-L202 HydrophobicContact CG2-CD2 3.95Å; L202-V218 HydrophobicContact CD1-CG1 4.47Å; L202-V218 HydrophobicContact CD1-CG2 3.75Å
203	E	97.4	Very high	93.6	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.2	171.8	-52.4	-169.6	155.3	0	0	109.3	S118 D120 V147 Q148 L150 R201 W321	S118-E203 WeakPolarHBondContact CB-OE2 3.27Å; S118-E203 WeakPolarHBondContact OG-CB 3.45Å; S118-E203 PolarHBondContact OG-OE2 3.43Å; D120-E203 WeakPolarHBondContact O-CA 3.42Å; V147-E203 HydrophobicContact CG2-CB 4.46Å; V147-E203 WeakPolarHBondContact CG2-O 3.42Å; V147-E203 PolarHBondContact N-O 3.18Å; Q148-E203 HydrophobicContact CB-CB 3.97Å; Q148-E203 HydrophobicContact CB-CG 4.34Å; Q148-E203 PolarHBondContact N-O 3.28Å; Q148-E203 PolarHBondContact O-N 2.94Å; L150-E203 HydrophobicContact CD1-CG 3.84Å; R201-E203 HydrophobicContact CG-CG 4.16Å; R201-E203 IonicContact CZ-OE1 3.98Å; R201-E203 IonicContact NE-OE1 3.65Å; R201-E203 PolarHBondContact NE-OE1 2.99Å; R201-E203 IonicContact NH2-OE1 2.71Å; R201-E203 PolarHBondContact NH2-OE1 3.45Å; R201-E203 VanDerWaalsContact NH2-OE1 3.11Å; E203-W321 PolarHBondContact OE1-NE1 3.33Å
204	V	96.3	Very high	93.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	151.4	-173.8	-57.6	0	0	0	0	111.8	F92 Q119 D120 A145 I146	F92-V204 HydrophobicContact CD1-CG2 4.37Å; F92-V204 HydrophobicContact CD2-CG2 3.79Å; F92-V204 HydrophobicContact CE1-CG2 4.21Å; F92-V204 HydrophobicContact CE2-CB 4.39Å; F92-V204 HydrophobicContact CE2-CG1 3.96Å; F92-V204 HydrophobicContact CE2-CG2 3.61Å; F92-V204 HydrophobicContact CG-CG2 4.17Å; F92-V204 HydrophobicContact CZ-CG1 4.37Å; F92-V204 HydrophobicContact CZ-CG2 3.82Å; Q119-V204 PolarHBondContact N-O 3.14Å; D120-V204 HydrophobicContact CB-CG2 3.54Å; D120-V204 PolarHBondContact N-O 3.39Å; D120-V204 VanDerWaalsContact N-O 3.13Å; D120-V204 PolarHBondContact O-N 3.02Å; A145-V204 HydrophobicContact CB-CB 4.12Å; A145-V204 HydrophobicContact CB-CG1 4.39Å; A145-V204 CarbonylContact O-C 3.46Å; A145-V204 WeakPolarHBondContact O-CA 3.16Å; I146-V204 HydrophobicContact CD1-CG1 3.61Å
205	N	94.9	Very high	94	Very high	12 Å²	12	13.8 Å²	13.8	6%	0.064	8%	0.076	C	C	.	.			trans	-137.3	109.9	169.1	-178.3	-44.1	0	0	0	108.4	H117 Q119 A145 V147 P175 S207	H117-N205 VanDerWaalsContact O-CB 3.31Å; H117-N205 WeakPolarHBondContact O-CB 3.34Å; H117-N205 PolarHBondContact O-ND2 3.27Å; Q119-N205 HydrophobicContact CG-CB 4.45Å; Q119-N205 PolarHBondContact OE1-OD1 3.36Å; A145-N205 PolarHBondContact O-N 3.49Å; V147-N205 HydrophobicContact CG1-CB 3.73Å; V147-N205 HydrophobicContact CG2-CB 4.22Å; P175-N205 HydrophobicContact CB-CB 4.29Å; P175-N205 HydrophobicContact CG-CB 4.02Å; N205-S207 VanDerWaalsContact C-N 3.34Å; N205-S207 WeakPolarHBondContact OD1-CA 2.95Å; N205-S207 WeakPolarHBondContact OD1-CB 2.79Å; N205-S207 PolarHBondContact OD1-N 3.14Å; N205-S207 PolarHBondContact OD1-OG 3.21Å
206	S	92.6	Very high	94.2	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.014	7%	0.071	C	C	.	.			trans	-94.1	10.5	-179	-58.3	0	0	0	0	112.6	A94 G96 L208 L209	A94-S206 WeakPolarHBondContact O-CB 3.5Å; G96-S206 PolarHBondContact N-O 3.07Å; S206-L208 VanDerWaalsContact C-N 3.29Å; S206-L208 PolarHBondContact O-N 3.16Å; S206-L209 WeakPolarHBondContact O-CB 3.2Å; S206-L209 PolarHBondContact O-N 2.9Å
207	S	90.9	Very high	94.3	Very high	16 Å²	16	10.6 Å²	10.6	11%	0.112	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.6	-169.7	71.4	0	0	0	0	114.8	G96 N205	G96-S207 WeakPolarHBondContact O-CA 2.81Å; N205-S207 VanDerWaalsContact C-N 3.34Å; N205-S207 WeakPolarHBondContact OD1-CA 2.95Å; N205-S207 WeakPolarHBondContact OD1-CB 2.79Å; N205-S207 PolarHBondContact OD1-N 3.14Å; N205-S207 PolarHBondContact OD1-OG 3.21Å
208	L	91.1	Very high	94.5	Very high	72 Å²	72	10.6 Å²	10.6	38%	0.377	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-8.8	175.1	-60.4	-171.4	0	0	0	113.1	P175 K177 S206	P175-L208 HydrophobicContact CB-CD1 3.85Å; P175-L208 HydrophobicContact CB-CG 4.03Å; P175-L208 WeakPolarHBondContact O-CD1 3.41Å; K177-L208 HydrophobicContact CB-CB 4.32Å; K177-L208 WeakPolarHBondContact CD-O 3.44Å; S206-L208 VanDerWaalsContact C-N 3.29Å; S206-L208 PolarHBondContact O-N 3.16Å
209	L	89.8	Confident	94.6	Very high	7 Å²	7	9.2 Å²	9.2	4%	0.037	5%	0.05	C	C	.	.			trans	-77.9	140.7	-178.8	-56.1	-175.4	0	0	0	110.1	Y142 A145 S206 Y211 T213	Y142-L209 VanDerWaalsContact O-CD1 3.3Å; Y142-L209 WeakPolarHBondContact O-CD1 3.25Å; A145-L209 HydrophobicContact CB-CD1 3.84Å; S206-L209 WeakPolarHBondContact O-CB 3.2Å; S206-L209 PolarHBondContact O-N 2.9Å; L209-Y211 VanDerWaalsContact CB-O 3.26Å; L209-Y211 WeakPolarHBondContact CB-O 3.5Å; L209-Y211 PolarHBondContact O-N 3.41Å; L209-T213 HydrophobicContact CD1-CG2 4.47Å
210	D	86.1	Confident	94.7	Very high	68 Å²	68	9.2 Å²	9.2	36%	0.364	5%	0.05	S	C	.	.	S	Bend	trans	-69.5	-22.5	177.3	-71	-21.9	0	0	0	112.2	Y142 K177 K608	Y142-D210 HydrophobicContact CD1-CB 4.22Å; Y142-D210 HydrophobicContact CE1-CB 3.78Å; K177-D210 VanDerWaalsContact CE-CG 3.48Å; K177-D210 WeakPolarHBondContact CE-OD1 3.42Å; K177-D210 WeakPolarHBondContact CE-OD2 3.35Å; K177-D210 IonicContact NZ-OD1 2.7Å; K177-D210 PolarHBondContact NZ-OD1 2.86Å; K177-D210 IonicContact NZ-OD2 3.28Å; K177-D210 PolarHBondContact NZ-OD2 2.97Å; D210-K608 WeakPolarHBondContact O-CE 3.12Å; D210-K608 PolarHBondContact O-NZ 2.85Å
211	Y	90.4	Very high	94.7	Very high	2 Å²	2	11 Å²	11	1%	0.008	6%	0.057	C	C	.	.	S	Bend	trans	-155.5	178.3	-177.5	-158.3	-129.2	0	0	0	109.8	Y95 Y141 Y142 L209 D583 S585 K608	Y95-Y211 VanDerWaalsContact CB-C 3.44Å; Y95-Y211 VanDerWaalsContact CD2-CA 3.46Å; Y95-Y211 HydrophobicContact CD2-CD2 4.13Å; Y95-Y211 HydrophobicContact CE1-CD2 4.17Å; Y95-Y211 HydrophobicContact CE1-CE2 4.11Å; Y95-Y211 AromaticContact CE2-CD2 3.63Å; Y95-Y211 HydrophobicContact CE2-CD2 3.63Å; Y95-Y211 HydrophobicContact CE2-CE2 4.2Å; Y95-Y211 AromaticContact CZ-CD2 3.63Å; Y95-Y211 AromaticContact CZ-CE2 3.72Å; Y141-Y211 HydrophobicContact CD1-CD1 4.42Å; Y141-Y211 AromaticContact CE1-CD1 3.4Å; Y141-Y211 HydrophobicContact CE1-CD1 3.4Å; Y141-Y211 AromaticContact CE1-CE1 3.67Å; Y141-Y211 HydrophobicContact CE1-CE1 3.67Å; Y141-Y211 AromaticContact CZ-CD1 3.81Å; Y141-Y211 WeakPolarHBondContact OH-CD1 3.42Å; Y142-Y211 HydrophobicContact CD2-CD1 4.23Å; Y142-Y211 AromaticContact CE2-CD1 3.91Å; Y142-Y211 HydrophobicContact CE2-CD1 3.91Å; Y142-Y211 HydrophobicContact CE2-CG 4.22Å; L209-Y211 VanDerWaalsContact CB-O 3.26Å; L209-Y211 WeakPolarHBondContact CB-O 3.5Å; L209-Y211 PolarHBondContact O-N 3.41Å; Y211-D583 VanDerWaalsContact CE2-OD2 3.25Å; Y211-D583 WeakPolarHBondContact CE2-OD2 3.29Å; Y211-D583 PolarHBondContact OH-OD2 3.22Å; Y211-S585 PolarHBondContact OH-OG 2.83Å; Y211-K608 HydrophobicContact CD2-CB 4.28Å; Y211-K608 HydrophobicContact CD2-CD 4.18Å; Y211-K608 HydrophobicContact CD2-CG 3.98Å; Y211-K608 HydrophobicContact CE2-CB 4.03Å; Y211-K608 HydrophobicContact CE2-CG 4.12Å
212	Y	91.1	Very high	94.6	Very high	6 Å²	6	11 Å²	11	2%	0.024	6%	0.056	C	C	.	.			trans	-66.5	147.5	-178.6	53.9	-105.2	0	0	0	113	D85 V91 Y95 Y141 E214	D85-Y212 PolarHBondContact OD2-OH 2.93Å; V91-Y212 HydrophobicContact CG1-CD2 3.53Å; V91-Y212 HydrophobicContact CG1-CE2 4.15Å; V91-Y212 HydrophobicContact CG1-CG 3.79Å; Y95-Y212 VanDerWaalsContact CB-CA 3.47Å; Y95-Y212 AromaticContact CD1-CD1 3.99Å; Y95-Y212 HydrophobicContact CD1-CD1 3.99Å; Y95-Y212 HydrophobicContact CD1-CG 4.47Å; Y95-Y212 HydrophobicContact CE1-CD1 4.1Å; Y141-Y212 AromaticContact CD1-CD2 3.87Å; Y141-Y212 HydrophobicContact CD1-CD2 3.87Å; Y141-Y212 AromaticContact CD1-CE2 3.73Å; Y141-Y212 HydrophobicContact CD1-CE2 3.73Å; Y141-Y212 WeakPolarHBondContact CD1-O 3.09Å; Y141-Y212 HydrophobicContact CE1-CD2 4.03Å; Y141-Y212 AromaticContact CE1-CE2 3.61Å; Y141-Y212 HydrophobicContact CE1-CE2 3.61Å; Y212-E214 HydrophobicContact CD2-CG 4.19Å; Y212-E214 HydrophobicContact CE2-CG 4.27Å
213	T	93	Very high	94.4	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.012	6%	0.06	C	C	.	.			trans	-85.8	145.6	174.1	-162.1	0	0	0	0	110.7	Y141 Y142 A145 L209	Y141-T213 VanDerWaalsContact O-CA 3.27Å; Y141-T213 WeakPolarHBondContact O-CA 3.35Å; Y141-T213 PolarHBondContact O-OG1 3.05Å; Y142-T213 WeakPolarHBondContact O-CB 3.3Å; Y142-T213 PolarHBondContact O-OG1 2.96Å; Y142-T213 VanDerWaalsContact O-OG1 3.05Å; A145-T213 HydrophobicContact CB-CG2 3.67Å; L209-T213 HydrophobicContact CD1-CG2 4.47Å
214	E	95.6	Very high	94	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.2	170.1	-63.8	-164.5	177.8	0	0	111.1	D85 F86 T89 V91 E139 T140 Y141 Y212	D85-E214 VanDerWaalsContact CA-OE1 3.29Å; D85-E214 WeakPolarHBondContact CA-OE1 3.46Å; F86-E214 PolarHBondContact N-OE1 3.33Å; F86-E214 PolarHBondContact N-OE2 3.26Å; T89-E214 WeakPolarHBondContact CB-OE2 3.22Å; T89-E214 HydrophobicContact CG2-CB 4.24Å; T89-E214 WeakPolarHBondContact CG2-OE2 3.08Å; T89-E214 WeakPolarHBondContact OG1-CB 3.36Å; T89-E214 WeakPolarHBondContact OG1-CG 3.44Å; T89-E214 PolarHBondContact OG1-OE2 3.28Å; V91-E214 HydrophobicContact CG2-CG 3.72Å; E139-E214 CarbonylContact C-O 3.54Å; E139-E214 WeakPolarHBondContact CA-O 3.11Å; T140-E214 PolarHBondContact N-O 3.26Å; T140-E214 PolarHBondContact OG1-O 3.32Å; Y141-E214 HydrophobicContact CD1-CG 3.91Å; Y141-E214 HydrophobicContact CG-CG 4.18Å; Y141-E214 PolarHBondContact O-N 3.27Å; Y212-E214 HydrophobicContact CD2-CG 4.19Å; Y212-E214 HydrophobicContact CE2-CG 4.27Å
215	L	96.9	Very high	93.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.5	175.6	-48.6	-179.4	0	0	0	109.6	L73 A90 F92 V137 F138 E139 I146	L73-L215 HydrophobicContact CD1-CB 4.31Å; L73-L215 HydrophobicContact CD1-CD1 4.42Å; L73-L215 HydrophobicContact CD2-CB 3.68Å; L73-L215 HydrophobicContact CG-CB 4.35Å; A90-L215 PolarHBondContact N-O 3.26Å; A90-L215 PolarHBondContact O-N 3.17Å; F92-L215 HydrophobicContact CE2-CD1 4.21Å; V137-L215 HydrophobicContact CG1-CD2 4.11Å; F138-L215 WeakPolarHBondContact O-CA 3.03Å; E139-L215 HydrophobicContact CB-CD2 4.37Å; E139-L215 HydrophobicContact CG-CD2 3.67Å; I146-L215 HydrophobicContact CD1-CD1 4.23Å; I146-L215 HydrophobicContact CD1-CD2 4.49Å
216	D	97.2	Very high	92.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-46.1	-174.3	-171.7	25.2	0	0	0	112.7	P77 N78 V79 Y80 T89 F138 T140	P77-D216 WeakPolarHBondContact CA-OD2 3.25Å; P77-D216 WeakPolarHBondContact CB-OD2 3.09Å; N78-D216 VanDerWaalsContact N-CG 3.33Å; N78-D216 PolarHBondContact N-OD1 3.07Å; N78-D216 PolarHBondContact N-OD2 2.97Å; V79-D216 WeakPolarHBondContact CA-OD2 3.2Å; V79-D216 PolarHBondContact N-OD2 2.63Å; Y80-D216 PolarHBondContact N-OD2 2.6Å; T89-D216 HydrophobicContact CG2-CB 4.32Å; F138-D216 HydrophobicContact CB-CB 4.31Å; F138-D216 PolarHBondContact O-N 3.45Å; T140-D216 HydrophobicContact CG2-CB 3.67Å
217	A	97.8	Very high	91.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	167.8	176	0	0	0	0	0	112.5	Y49 P77 F138	Y49-A217 HydrophobicContact CD1-CB 4.46Å; P77-A217 HydrophobicContact CB-CB 4.11Å; P77-A217 HydrophobicContact CG-CB 3.78Å; F138-A217 HydrophobicContact CD2-CB 3.87Å; F138-A217 WeakPolarHBondContact CD2-O 3.47Å; F138-A217 PolarHBondContact N-O 3.19Å
218	V	98.4	Very high	89.8	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.8	175.3	-176.5	0	0	0	0	110.2	A50 L73 L124 F126 V135 E136 V137 L202	A50-V218 PolarHBondContact N-O 2.88Å; L73-V218 HydrophobicContact CD2-CG2 4.1Å; L124-V218 HydrophobicContact CD1-CB 3.75Å; L124-V218 HydrophobicContact CD1-CG1 4.11Å; L124-V218 HydrophobicContact CD1-CG2 3.49Å; L124-V218 VanDerWaalsContact CD1-CG2 3.49Å; F126-V218 HydrophobicContact CZ-CG1 4.13Å; V135-V218 HydrophobicContact CG1-CG1 4.21Å; E136-V218 CarbonylContact O-C 3.59Å; E136-V218 VanDerWaalsContact O-CA 3.28Å; E136-V218 WeakPolarHBondContact O-CA 3.33Å; V137-V218 HydrophobicContact CG1-CG2 4.27Å; V137-V218 HydrophobicContact CG2-CG1 4.3Å; V137-V218 HydrophobicContact CG2-CG2 4.26Å; L202-V218 HydrophobicContact CD1-CG1 4.47Å; L202-V218 HydrophobicContact CD1-CG2 3.75Å
219	I	98.1	Very high	88	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.6	174.4	-64.1	170	0	0	0	109.2	E47 Q48 Y49 V135 E136 F138 R221	E47-I219 HydrophobicContact CG-CG2 3.86Å; Q48-I219 WeakPolarHBondContact O-CA 3.47Å; Y49-I219 HydrophobicContact CD1-CD1 4.35Å; Y49-I219 HydrophobicContact CD1-CG1 3.63Å; Y49-I219 HydrophobicContact CE1-CD1 3.56Å; Y49-I219 HydrophobicContact CE1-CG1 3.35Å; Y49-I219 HydrophobicContact CG-CG1 4.36Å; V135-I219 WeakPolarHBondContact CA-O 3.32Å; E136-I219 HydrophobicContact CB-CB 4.19Å; E136-I219 HydrophobicContact CG-CB 4.49Å; E136-I219 PolarHBondContact N-O 3.25Å; E136-I219 PolarHBondContact O-N 2.99Å; F138-I219 HydrophobicContact CE2-CD1 3.52Å; F138-I219 HydrophobicContact CE2-CG1 3.87Å; F138-I219 HydrophobicContact CZ-CD1 3.67Å; I219-R221 HydrophobicContact CG2-CG 3.91Å
220	L	98.1	Very high	85.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121	164.1	173	59.4	0	0	0	108.5	Q48 F126 V130 P132 V135 L200	Q48-L220 HydrophobicContact CG-CB 4.3Å; Q48-L220 WeakPolarHBondContact CG-O 3.5Å; Q48-L220 PolarHBondContact N-O 3.18Å; Q48-L220 PolarHBondContact O-N 2.78Å; F126-L220 HydrophobicContact CB-CD2 4.25Å; F126-L220 HydrophobicContact CD1-CB 3.61Å; F126-L220 HydrophobicContact CD1-CD2 4.21Å; F126-L220 HydrophobicContact CD2-CB 4.46Å; F126-L220 HydrophobicContact CD2-CD2 3.96Å; F126-L220 HydrophobicContact CE1-CB 3.43Å; F126-L220 VanDerWaalsContact CE1-CB 3.43Å; F126-L220 HydrophobicContact CE2-CB 4.33Å; F126-L220 HydrophobicContact CE2-CD2 4.39Å; F126-L220 HydrophobicContact CG-CB 4.13Å; F126-L220 HydrophobicContact CG-CD2 3.87Å; F126-L220 HydrophobicContact CZ-CB 3.83Å; V130-L220 HydrophobicContact CG2-CD1 4.2Å; V130-L220 HydrophobicContact CG2-CD2 3.73Å; V130-L220 HydrophobicContact CG2-CG 3.78Å; P132-L220 HydrophobicContact CB-CD1 3.89Å; P132-L220 HydrophobicContact CG-CD1 4.08Å; V135-L220 HydrophobicContact CG2-CD1 4.05Å; L200-L220 HydrophobicContact CD1-CB 4.34Å; L200-L220 HydrophobicContact CD1-CD1 4.26Å
221	R	96.9	Very high	83.8	Confident	39 Å²	39	46.2 Å²	46.2	15%	0.147	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141	169.4	-60.9	176.2	-177	-84	-10.9	109.2	V46 E47 P132 T133 A134 E136 I219	V46-R221 CarbonylContact O-C 3.55Å; V46-R221 VanDerWaalsContact O-CA 3.3Å; V46-R221 WeakPolarHBondContact O-CA 3.47Å; E47-R221 HydrophobicContact CB-CG 4.41Å; E47-R221 HydrophobicContact CG-CG 4.34Å; E47-R221 IonicContact OE2-CZ 3.74Å; E47-R221 IonicContact OE2-NH1 3.5Å; E47-R221 PolarHBondContact OE2-NH1 2.91Å; E47-R221 IonicContact OE2-NH2 2.82Å; E47-R221 PolarHBondContact OE2-NH2 2.95Å; P132-R221 CarbonylContact C-O 3.53Å; P132-R221 WeakPolarHBondContact CA-O 3.42Å; T133-R221 PolarHBondContact N-O 2.67Å; T133-R221 VanDerWaalsContact OG1-C 3.23Å; T133-R221 WeakPolarHBondContact OG1-CB 3.16Å; T133-R221 PolarHBondContact OG1-O 2.87Å; A134-R221 HydrophobicContact CB-CB 4.2Å; A134-R221 PolarHBondContact N-O 2.91Å; A134-R221 PolarHBondContact O-N 3.08Å; E136-R221 IonicContact OE1-NE 3.12Å; E136-R221 IonicContact OE2-CZ 3.44Å; E136-R221 IonicContact OE2-NE 3.98Å; E136-R221 PolarHBondContact OE2-NE 3.39Å; E136-R221 IonicContact OE2-NH2 2.66Å; E136-R221 PolarHBondContact OE2-NH2 3.26Å; I219-R221 HydrophobicContact CG2-CG 3.91Å
222	G	95.2	Very high	81.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	170.1	175	0	0	0	0	0	114	V46 Y131 T133	V46-G222 PolarHBondContact N-O 2.92Å; V46-G222 PolarHBondContact O-N 2.87Å; Y131-G222 CarbonylContact O-C 3.5Å; Y131-G222 WeakPolarHBondContact O-CA 3.27Å; T133-G222 WeakPolarHBondContact OG1-CA 3.36Å; T133-G222 PolarHBondContact OG1-N 3.42Å
223	V	94.1	Very high	79	Confident	14 Å²	14	65 Å²	65	9%	0.085	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	151.2	176.8	-67.9	0	0	0	0	110.6	E45 Y131 T133 E225 P227	E45-V223 HydrophobicContact CB-CG1 4.48Å; Y131-V223 PolarHBondContact N-O 3.05Å; Y131-V223 PolarHBondContact O-N 2.81Å; Y131-V223 VanDerWaalsContact O-N 3.07Å; T133-V223 HydrophobicContact CG2-CG1 4.36Å; V223-E225 VanDerWaalsContact CG2-O 3.28Å; V223-E225 WeakPolarHBondContact CG2-O 3.29Å; V223-P227 HydrophobicContact CG2-CG 3.98Å
224	K	89.1	Confident	76	Confident	99 Å²	99	72.1 Å²	72.1	43%	0.43	35%	0.348	S	S	.	.	S	Bend	trans	-76.4	-35.4	178	-68.4	-162.5	174.8	-163.4	0	113	V46 E128	V46-K224 HydrophobicContact CG2-CG 4.13Å; E128-K224 IonicContact OE1-NZ 2.89Å; E128-K224 PolarHBondContact OE1-NZ 3.07Å; E128-K224 WeakPolarHBondContact OE2-CE 3.4Å; E128-K224 IonicContact OE2-NZ 3.59Å; E128-K224 PolarHBondContact OE2-NZ 2.65Å
225	E	84.7	Confident	73.1	Confident	121 Å²	121	77.4 Å²	77.4	57%	0.565	38%	0.382	S	S	*	.	S	Bend	trans	-89.5	146.9	-179.8	-66.1	-178.3	-175	0	0	110.7	Y131 V223 P227	Y131-E225 WeakPolarHBondContact CD2-O 3.37Å; V223-E225 VanDerWaalsContact CG2-O 3.28Å; V223-E225 WeakPolarHBondContact CG2-O 3.29Å; E225-P227 WeakPolarHBondContact O-CD 3.38Å
226	R	77.2	Confident	70.1	Confident	141 Å²	141	85.5 Å²	85.5	53%	0.532	43%	0.425	S	S	.	.			trans	-62.5	125.3	177.2	-174.4	173.2	175.8	-178.5	-2.9	108.7	Y131 M228	Y131-R226 HydrophobicContact CE1-CB 4.1Å; Y131-R226 HydrophobicContact CE1-CG 3.94Å; Y131-R226 HydrophobicContact CE2-CB 4.01Å; R226-M228 PolarHBondContact O-N 3.29Å
227	P	65.4	Low	67.4	Low	58 Å²	58	92.2 Å²	92.2	38%	0.377	46%	0.459	S	S	.	.			trans	-58.8	113.4	175	-20.7	30.5	0	0	0	109.9	V223 E225 L229	V223-P227 HydrophobicContact CG2-CG 3.98Å; E225-P227 WeakPolarHBondContact O-CD 3.38Å; P227-L229 PolarHBondContact O-N 3.35Å; P227-L229 VanDerWaalsContact O-N 3.08Å
228	M	59.9	Low	64.3	Low	123 Å²	123	98.1 Å²	98.1	61%	0.606	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-69.2	-1.1	-178	-77	-71.3	-73.6	0	0	113.8	R226 A230 L231	R226-M228 PolarHBondContact O-N 3.29Å; M228-A230 PolarHBondContact O-N 3.36Å; M228-A230 VanDerWaalsContact O-N 3.07Å; M228-L231 HydrophobicContact CE-CD1 4.02Å; M228-L231 PolarHBondContact O-N 3.2Å; M228-L231 HydrophobicContact SD-CD1 4.07Å
229	L	53	Low	61.5	Low	162 Å²	162	104.8 Å²	104.8	85%	0.848	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-70.2	-1.6	-174.1	-79.7	160.7	0	0	0	115.4	P227	P227-L229 PolarHBondContact O-N 3.35Å; P227-L229 VanDerWaalsContact O-N 3.08Å
230	A	44.3	Very low	58.5	Low	79 Å²	79	108.4 Å²	108.4	65%	0.653	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-100.1	-6.1	178.2	0	0	0	0	0	115	M228	M228-A230 PolarHBondContact O-N 3.36Å; M228-A230 VanDerWaalsContact O-N 3.07Å
231	L	42.8	Very low	55.5	Low	122 Å²	122	116 Å²	116	64%	0.639	59%	0.591	S	S	*	*	S	Bend	trans	-88.5	-15.3	-180	-83	159	0	0	0	114	M228	M228-L231 HydrophobicContact CE-CD1 4.02Å; M228-L231 PolarHBondContact O-N 3.2Å; M228-L231 HydrophobicContact SD-CD1 4.07Å
232	Y	43.5	Very low	52.9	Low	210 Å²	210	121.5 Å²	121.5	82%	0.824	62%	0.623	S	S	*	*	S	Bend	trans	-97.5	10.3	-178.1	-77.1	-80.9	0	0	0	114.9
233	K	37.4	Very low	49.9	Very low	192 Å²	192	126.3 Å²	126.3	84%	0.835	66%	0.656	S	S	*	*			trans	-119.4	42.6	171.3	-79.1	-171.8	177.5	-179.5	0	112.1
234	M	31.2	Very low	47	Very low	151 Å²	151	133.2 Å²	133.2	74%	0.744	69%	0.692	S	S	*	*	S	Bend	trans	-91.7	131.9	146.1	-70.6	-106.3	91.8	0	0	105.5	L236	M234-L236 PolarHBondContact O-N 3.13Å
235	P	34.4	Very low	44.1	Very low	112 Å²	112	134.4 Å²	134.4	73%	0.727	71%	0.713	S	S	*	*			trans	-59.3	119.4	160.2	23.4	-20.9	0	0	0	105.4	I237	P235-I237 PolarHBondContact O-N 2.89Å
236	L	33.7	Very low	41.6	Very low	170 Å²	170	136.9 Å²	136.9	89%	0.89	73%	0.725	S	S	*	*			trans	-50.6	112.3	157	-83.6	147.7	0	0	0	104.7	M234 D238	M234-L236 PolarHBondContact O-N 3.13Å; L236-D238 VanDerWaalsContact C-N 3.31Å; L236-D238 PolarHBondContact O-N 3.49Å
237	I	40.6	Very low	39.4	Very low	141 Å²	141	137.3 Å²	137.3	72%	0.723	74%	0.738	S	S	*	*			trans	-59.7	110.4	161.4	-66.4	171.8	0	0	0	103.4	P235 I239	P235-I237 PolarHBondContact O-N 2.89Å; I237-I239 HydrophobicContact CG2-CG1 4.22Å; I237-I239 PolarHBondContact O-N 2.81Å; I237-I239 VanDerWaalsContact O-N 3.09Å
238	D	32.9	Very low	37.7	Very low	123 Å²	123	143.1 Å²	143.1	66%	0.658	76%	0.76	S	S	*	*			trans	-67.3	105.9	172.7	-160	-14.9	0	0	0	106.3	L236 S240	L236-D238 VanDerWaalsContact C-N 3.31Å; L236-D238 PolarHBondContact O-N 3.49Å; D238-S240 PolarHBondContact O-N 3.39Å; D238-S240 VanDerWaalsContact O-N 3.17Å; D238-S240 WeakPolarHBondContact OD1-CB 3.45Å; D238-S240 PolarHBondContact OD1-N 2.8Å; D238-S240 PolarHBondContact OD1-OG 2.73Å; D238-S240 PolarHBondContact OD2-OG 2.7Å
239	I	39.9	Very low	36.3	Very low	140 Å²	140	146.5 Å²	146.5	72%	0.718	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	19.5	-180	-67.4	166.1	0	0	0	110	I237	I237-I239 HydrophobicContact CG2-CG1 4.22Å; I237-I239 PolarHBondContact O-N 2.81Å; I237-I239 VanDerWaalsContact O-N 3.09Å
240	S	33.6	Very low	35.2	Very low	80 Å²	80	143.9 Å²	143.9	56%	0.559	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	1.1	179.6	59.1	0	0	0	0	115.5	D238	D238-S240 PolarHBondContact O-N 3.39Å; D238-S240 VanDerWaalsContact O-N 3.17Å; D238-S240 WeakPolarHBondContact OD1-CB 3.45Å; D238-S240 PolarHBondContact OD1-N 2.8Å; D238-S240 PolarHBondContact OD1-OG 2.73Å; D238-S240 PolarHBondContact OD2-OG 2.7Å
241	D	35.2	Very low	34.6	Very low	158 Å²	158	146.6 Å²	146.6	85%	0.845	78%	0.775	S	S	*	*			trans	-108.8	32.7	178.7	-107.7	1	0	0	0	114.4
242	L	42.1	Very low	34.1	Very low	156 Å²	156	147.9 Å²	147.9	82%	0.817	79%	0.788	S	S	*	*			trans	-115.5	85.1	167.7	-72.7	171.4	0	0	0	110.2
243	S	32.7	Very low	33.9	Very low	101 Å²	101	141.1 Å²	141.1	71%	0.706	78%	0.782	S	S	*	*			trans	-149.2	104.7	155.5	60.7	0	0	0	0	110.5
244	D	33.4	Very low	33.5	Very low	158 Å²	158	135 Å²	135	85%	0.845	77%	0.774	S	S	*	*			trans	42.6	109.3	141.3	-54.4	-21.7	0	0	0	119.8
245	S	28.9	Very low	33.8	Very low	124 Å²	124	133.9 Å²	133.9	87%	0.867	78%	0.777	S	S	*	*				-139.6	101.5	129	41.3	0	0	0	0	109
246	E	32.1	Very low	34	Very low	173 Å²	173	138.7 Å²	138.7	81%	0.808	79%	0.787	S	S	*	*			trans	-62	126.7	154.7	-63	-179.7	143	0	0	107.3
247	D	29.7	Very low	33.9	Very low	150 Å²	150	140 Å²	140	80%	0.802	79%	0.786	S	S	*	*				178.4	135.3	126.2	-91.2	-28.5	0	0	0	114
248	E	30.4	Very low	34.3	Very low	180 Å²	180	139.6 Å²	139.6	84%	0.841	79%	0.792	S	S	*	*			trans	69.3	93.9	152.7	-63	-171.4	171.5	0	0	121
249	M	30	Very low	34.3	Very low	195 Å²	195	137.9 Å²	137.9	96%	0.961	80%	0.804	S	S	*	*			trans	-110.9	97.8	153.6	-163.6	142.8	74.2	0	0	109.5
250	S	31.2	Very low	33.9	Very low	107 Å²	107	135.1 Å²	135.1	75%	0.748	81%	0.809	S	S	*	*			trans	-100.6	110.5	167.4	63.1	0	0	0	0	110.9
251	D	32	Very low	34.4	Very low	136 Å²	136	139.3 Å²	139.3	73%	0.727	83%	0.826	S	S	*	*			trans	40.1	113	130.6	-159.4	16.3	0	0	0	119.4	G253	D251-G253 PolarHBondContact OD1-N 3.42Å
252	V	31.9	Very low	34.5	Very low	149 Å²	149	135.2 Å²	135.2	90%	0.903	82%	0.821	S	S	*	*				-144.6	89.1	123.5	-171.4	0	0	0	0	108.9
253	G	37.7	Very low	34.7	Very low	68 Å²	68	137.4 Å²	137.4	70%	0.701	82%	0.824	S	S	*	*			trans	-74.4	126.6	155.8	0	0	0	0	0	110.9	D251	D251-G253 PolarHBondContact OD1-N 3.42Å
254	G	30.2	Very low	35.2	Very low	64 Å²	64	141.5 Å²	141.5	66%	0.66	83%	0.832	S	S	*	*			trans	-136.6	131	170	0	0	0	0	0	110.9
255	P	37.1	Very low	35.7	Very low	126 Å²	126	142.8 Å²	142.8	82%	0.818	83%	0.833	S	S	*	*			trans	-80.7	146.5	-169.3	32.4	-33	0	0	0	112.3	K257	P255-K257 PolarHBondContact O-N 3.14Å
256	F	38.1	Very low	36.6	Very low	213 Å²	213	148.6 Å²	148.6	93%	0.934	84%	0.835	S	S	*	*			trans	-46.9	129.7	168.6	-90.1	-101.7	0	0	0	112.3
257	K	33.1	Very low	37.4	Very low	199 Å²	199	143.7 Å²	143.7	87%	0.865	82%	0.817	S	S	*	*			trans	-118.7	142	156	-88.5	-172.6	176.8	179	0	110.2	P255	P255-K257 PolarHBondContact O-N 3.14Å
258	P	48.3	Very low	39.1	Very low	132 Å²	132	141 Å²	141	86%	0.857	82%	0.817	S	S	*	*			trans	-92.6	148.5	-178.3	35.9	-30.8	0	0	0	111.9
259	G	33.1	Very low	40.7	Very low	87 Å²	87	135.4 Å²	135.4	90%	0.897	79%	0.792	S	S	*	*			trans	125.2	119.2	158.8	0	0	0	0	0	115
260	G	31.6	Very low	42.6	Very low	81 Å²	81	127.7 Å²	127.7	84%	0.835	76%	0.763	S	S	*	*			trans	159.9	92	167.8	0	0	0	0	0	112.7
261	D	44.1	Very low	44.8	Very low	169 Å²	169	131.5 Å²	131.5	90%	0.904	76%	0.762	S	S	*	*			trans	-49.9	128.6	-179.1	-87.7	-50.9	0	0	0	115.1
262	G	37	Very low	47	Very low	72 Å²	72	128.8 Å²	128.8	74%	0.742	74%	0.744	S	S	*	*			trans	-177.8	71.3	173.6	0	0	0	0	0	110	Q264	G262-Q264 PolarHBondContact O-N 3.42Å
263	K	46.4	Very low	49.2	Very low	202 Å²	202	125.1 Å²	125.1	88%	0.878	72%	0.719	S	S	*	*			trans	-58.2	99.5	-179.5	-75.8	176.3	177.4	172.8	0	111.7
264	Q	42.1	Very low	51.5	Low	186 Å²	186	128.6 Å²	128.6	87%	0.869	72%	0.715	S	S	*	*			trans	-128.9	99.3	147.5	-80.2	-173.1	-0.8	0	0	108.6	G262 R266	G262-Q264 PolarHBondContact O-N 3.42Å; Q264-R266 PolarHBondContact O-N 2.84Å
265	Q	44.9	Very low	54.3	Low	185 Å²	185	128.8 Å²	128.8	86%	0.864	70%	0.7	S	S	*	*			trans	-51	116.6	171.2	-90.4	156.7	-34.3	0	0	110	T267	Q265-T267 VanDerWaalsContact C-N 3.35Å; Q265-T267 PolarHBondContact O-N 2.82Å
266	R	47	Very low	56.9	Low	246 Å²	246	126 Å²	126	93%	0.928	68%	0.683	S	S	*	*			trans	-62.8	100.3	157.2	-79.5	179.7	167	-179.4	-3.8	107.1	Q264 A268	Q264-R266 PolarHBondContact O-N 2.84Å; R266-A268 PolarHBondContact O-N 2.98Å
267	T	49.4	Very low	59.5	Low	70 Å²	70	120.7 Å²	120.7	43%	0.429	66%	0.657	S	S	.	*			trans	-62.4	113.3	174.5	48.9	0	0	0	0	108.8	Q265 N269 G270	Q265-T267 VanDerWaalsContact C-N 3.35Å; Q265-T267 PolarHBondContact O-N 2.82Å; T267-N269 PolarHBondContact O-N 3.46Å; T267-N269 VanDerWaalsContact O-N 3.1Å; T267-G270 PolarHBondContact O-N 3.49Å; T267-G270 VanDerWaalsContact O-N 3.17Å; T267-G270 PolarHBondContact OG1-O 3.46Å
268	A	65.1	Low	62.3	Low	95 Å²	95	117.5 Å²	117.5	79%	0.785	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-11.9	-170.9	0	0	0	0	0	114.5	R266	R266-A268 PolarHBondContact O-N 2.98Å
269	N	63.7	Low	64.4	Low	62 Å²	62	115.2 Å²	115.2	33%	0.332	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123.8	23.6	173.5	-38.5	-63.9	0	0	0	113.8	T267 D273 L301	T267-N269 PolarHBondContact O-N 3.46Å; T267-N269 VanDerWaalsContact O-N 3.1Å; N269-D273 WeakPolarHBondContact CA-OD2 3.39Å; N269-D273 WeakPolarHBondContact CB-OD1 3.39Å; N269-D273 VanDerWaalsContact CB-OD2 3.24Å; N269-D273 WeakPolarHBondContact CB-OD2 3.48Å; N269-D273 PolarHBondContact N-OD2 3.47Å; N269-D273 PolarHBondContact ND2-OD1 2.92Å; N269-D273 PolarHBondContact ND2-OD2 3.37Å; N269-L301 HydrophobicContact CB-CB 4.48Å; N269-L301 HydrophobicContact CB-CD2 3.83Å
270	G	71.6	Confident	67.3	Low	33 Å²	33	111.2 Å²	111.2	34%	0.34	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	65.6	-142.8	177.3	0	0	0	0	0	113.9	T267	T267-G270 PolarHBondContact O-N 3.49Å; T267-G270 VanDerWaalsContact O-N 3.17Å; T267-G270 PolarHBondContact OG1-O 3.46Å
271	Y	75.6	Confident	70.2	Confident	186 Å²	186	108.1 Å²	108.1	73%	0.729	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-11.2	-178.5	-67.6	-80	0	0	0	114.2	D273 K274	Y271-D273 VanDerWaalsContact C-N 3.26Å; Y271-D273 PolarHBondContact O-N 2.89Å; Y271-K274 HydrophobicContact CD1-CD 4.02Å; Y271-K274 WeakPolarHBondContact O-CB 3.42Å; Y271-K274 PolarHBondContact O-N 3.09Å
272	F	79	Confident	72.5	Confident	80 Å²	80	104.7 Å²	104.7	35%	0.351	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-65.1	-31.3	178	-88.7	-86.7	0	0	0	112.2	K274 L275 I280 L301 L302	F272-K274 PolarHBondContact O-N 3.02Å; F272-K274 VanDerWaalsContact O-N 3.14Å; F272-L275 HydrophobicContact CD1-CD1 4.02Å; F272-L275 HydrophobicContact CE1-CD1 4.24Å; F272-L275 PolarHBondContact O-N 3.14Å; F272-L275 VanDerWaalsContact O-N 3.14Å; F272-I280 HydrophobicContact CD1-CG1 4.37Å; F272-L301 HydrophobicContact CB-CD2 4.09Å; F272-L302 HydrophobicContact CD1-CD2 4.15Å; F272-L302 HydrophobicContact CE1-CD2 4.28Å
273	D	78.1	Confident	75.2	Confident	72 Å²	72	105.2 Å²	105.2	39%	0.385	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-61.2	-19.7	172.6	-69.2	-35.7	0	0	0	113.1	N269 Y271 L301	N269-D273 WeakPolarHBondContact CA-OD2 3.39Å; N269-D273 WeakPolarHBondContact CB-OD1 3.39Å; N269-D273 VanDerWaalsContact CB-OD2 3.24Å; N269-D273 WeakPolarHBondContact CB-OD2 3.48Å; N269-D273 PolarHBondContact N-OD2 3.47Å; N269-D273 PolarHBondContact ND2-OD1 2.92Å; N269-D273 PolarHBondContact ND2-OD2 3.37Å; Y271-D273 VanDerWaalsContact C-N 3.26Å; Y271-D273 PolarHBondContact O-N 2.89Å; D273-L301 WeakPolarHBondContact OD1-CD2 3.46Å
274	K	85.7	Confident	77.4	Confident	140 Å²	140	95.6 Å²	95.6	61%	0.609	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-92.5	-11.3	-179.2	-55.3	-171	-174	175.3	0	113.1	Y271 F272	Y271-K274 HydrophobicContact CD1-CD 4.02Å; Y271-K274 WeakPolarHBondContact O-CB 3.42Å; Y271-K274 PolarHBondContact O-N 3.09Å; F272-K274 PolarHBondContact O-N 3.02Å; F272-K274 VanDerWaalsContact O-N 3.14Å
275	L	89.4	Confident	79.8	Confident	68 Å²	68	88.7 Å²	88.7	36%	0.356	44%	0.444	S	S	.	.	S	Bend	trans	-84.1	135.7	-179.8	-65.2	177.1	0	0	0	110	F272 I280 I283	F272-L275 HydrophobicContact CD1-CD1 4.02Å; F272-L275 HydrophobicContact CE1-CD1 4.24Å; F272-L275 PolarHBondContact O-N 3.14Å; F272-L275 VanDerWaalsContact O-N 3.14Å; L275-I280 HydrophobicContact CB-CD1 4.14Å; L275-I280 HydrophobicContact CB-CG1 3.74Å; L275-I280 HydrophobicContact CD1-CG1 4.36Å; L275-I283 HydrophobicContact CD1-CD1 4.02Å
276	P	92.4	Very high	82	Confident	69 Å²	69	87.2 Å²	87.2	45%	0.448	44%	0.436	S	S	.	.			trans	-51.6	146.5	166.6	-25.3	31.6	0	0	0	112.1	E278 L279 I280	P276-E278 PolarHBondContact O-N 2.77Å; P276-L279 HydrophobicContact CB-CG 4.36Å; P276-L279 HydrophobicContact CG-CD1 4.12Å; P276-L279 HydrophobicContact CG-CG 4.39Å; P276-L279 PolarHBondContact O-N 2.76Å; P276-I280 PolarHBondContact O-N 3.38Å; P276-I280 VanDerWaalsContact O-N 3.16Å
277	Y	91.6	Very high	84.2	Confident	100 Å²	100	77.7 Å²	77.7	39%	0.392	40%	0.404	S	S	.	.	H	α-helix	trans	-50.7	-46.8	-179.3	-173.8	-96.7	0	0	0	112	L279 I280 Q281 H305 D308	Y277-L279 VanDerWaalsContact C-N 3.32Å; Y277-L279 PolarHBondContact O-N 2.96Å; Y277-I280 PolarHBondContact O-N 3.02Å; Y277-Q281 HydrophobicContact CD1-CG 3.85Å; Y277-Q281 HydrophobicContact CE1-CG 3.51Å; Y277-Q281 WeakPolarHBondContact O-CG 3.36Å; Y277-Q281 PolarHBondContact O-N 2.93Å; Y277-Q281 PolarHBondContact OH-NE2 3.21Å; Y277-H305 AromaticContact CD2-CE1 3.3Å; Y277-H305 WeakPolarHBondContact CD2-CE1 3.26Å; Y277-H305 AromaticContact CD2-ND1 3.86Å; Y277-H305 AromaticContact CE2-CE1 3.35Å; Y277-H305 WeakPolarHBondContact CE2-CE1 3.15Å; Y277-H305 AromaticContact CE2-ND1 3.5Å; Y277-H305 WeakPolarHBondContact CE2-ND1 3.38Å; Y277-D308 PolarHBondContact OH-OD2 3.08Å
278	E	92.6	Very high	86.3	Confident	133 Å²	133	75.9 Å²	75.9	62%	0.621	39%	0.393	S	S	*	.	H	α-helix	trans	-64.2	-36.5	-176.8	-58.3	77	-169.2	0	0	111.7	P276 Q281 L282	P276-E278 PolarHBondContact O-N 2.77Å; E278-Q281 PolarHBondContact O-N 2.94Å; E278-L282 WeakPolarHBondContact O-CB 3.4Å; E278-L282 PolarHBondContact O-N 2.99Å
279	L	92.7	Very high	87.7	Confident	83 Å²	83	72.2 Å²	72.2	44%	0.435	36%	0.36	S	S	.	.	H	α-helix	trans	-70.5	-38.3	177.1	-70.7	-171.8	0	0	0	111.5	P276 Y277 L282 I283	P276-L279 HydrophobicContact CB-CG 4.36Å; P276-L279 HydrophobicContact CG-CD1 4.12Å; P276-L279 HydrophobicContact CG-CG 4.39Å; P276-L279 PolarHBondContact O-N 2.76Å; Y277-L279 VanDerWaalsContact C-N 3.32Å; Y277-L279 PolarHBondContact O-N 2.96Å; L279-L282 HydrophobicContact CD2-CD2 4.44Å; L279-L282 PolarHBondContact O-N 2.87Å; L279-I283 WeakPolarHBondContact O-CD1 3.25Å; L279-I283 VanDerWaalsContact O-CG1 3.25Å; L279-I283 WeakPolarHBondContact O-CG1 3.36Å; L279-I283 PolarHBondContact O-N 3.39Å
280	I	92.5	Very high	89.1	Confident	4 Å²	4	70.9 Å²	70.9	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-48	173	-58.5	172	0	0	0	109.5	F272 L275 P276 Y277 L282 I283 L284 H305	F272-I280 HydrophobicContact CD1-CG1 4.37Å; L275-I280 HydrophobicContact CB-CD1 4.14Å; L275-I280 HydrophobicContact CB-CG1 3.74Å; L275-I280 HydrophobicContact CD1-CG1 4.36Å; P276-I280 PolarHBondContact O-N 3.38Å; P276-I280 VanDerWaalsContact O-N 3.16Å; Y277-I280 PolarHBondContact O-N 3.02Å; I280-L282 VanDerWaalsContact C-N 3.27Å; I280-L282 PolarHBondContact O-N 3.3Å; I280-I283 PolarHBondContact O-N 3.25Å; I280-L284 HydrophobicContact CG2-CD1 4.14Å; I280-L284 HydrophobicContact CG2-CG 4.26Å; I280-L284 WeakPolarHBondContact O-CB 3.41Å; I280-L284 VanDerWaalsContact O-CG 3.27Å; I280-L284 WeakPolarHBondContact O-CG 3.45Å; I280-L284 PolarHBondContact O-N 3.43Å; I280-H305 HydrophobicContact CG2-CB 4.04Å
281	Q	92.8	Very high	90.2	Very high	16 Å²	16	72.1 Å²	72.1	8%	0.075	35%	0.353	C	S	.	.	H	α-helix	trans	-61.2	-36.3	178.2	-63.8	-54.3	-16.2	0	0	112.4	Y277 E278 S285 H305 Q311	Y277-Q281 HydrophobicContact CD1-CG 3.85Å; Y277-Q281 HydrophobicContact CE1-CG 3.51Å; Y277-Q281 WeakPolarHBondContact O-CG 3.36Å; Y277-Q281 PolarHBondContact O-N 2.93Å; Y277-Q281 PolarHBondContact OH-NE2 3.21Å; E278-Q281 PolarHBondContact O-N 2.94Å; Q281-S285 WeakPolarHBondContact O-CB 3.3Å; Q281-S285 PolarHBondContact O-N 3.3Å; Q281-H305 PolarHBondContact NE2-ND1 2.71Å; Q281-H305 PolarHBondContact OE1-O 3.07Å; Q281-Q311 PolarHBondContact O-NE2 3Å
282	L	92.9	Very high	91.1	Very high	97 Å²	97	63.2 Å²	63.2	51%	0.508	32%	0.318	S	S	.	.	H	α-helix	trans	-65.4	-48.2	174.4	-179.2	62.4	0	0	0	111.7	E278 L279 I280 L284 S285 H286	E278-L282 WeakPolarHBondContact O-CB 3.4Å; E278-L282 PolarHBondContact O-N 2.99Å; L279-L282 HydrophobicContact CD2-CD2 4.44Å; L279-L282 PolarHBondContact O-N 2.87Å; I280-L282 VanDerWaalsContact C-N 3.27Å; I280-L282 PolarHBondContact O-N 3.3Å; L282-L284 VanDerWaalsContact C-N 3.31Å; L282-L284 PolarHBondContact O-N 3.41Å; L282-S285 VanDerWaalsContact O-CB 3.32Å; L282-S285 WeakPolarHBondContact O-CB 3.5Å; L282-S285 PolarHBondContact O-N 3.01Å; L282-S285 VanDerWaalsContact O-N 3.07Å; L282-S285 PolarHBondContact O-OG 3.49Å; L282-H286 PolarHBondContact O-CD2 2.9Å; L282-H286 VanDerWaalsContact O-CD2 3.26Å
283	I	92.6	Very high	91.8	Very high	82 Å²	82	61.1 Å²	61.1	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-56.8	-48.9	176.1	-68.5	162.6	0	0	0	109.9	L275 L279 I280 S285 H286	L275-I283 HydrophobicContact CD1-CD1 4.02Å; L279-I283 WeakPolarHBondContact O-CD1 3.25Å; L279-I283 VanDerWaalsContact O-CG1 3.25Å; L279-I283 WeakPolarHBondContact O-CG1 3.36Å; L279-I283 PolarHBondContact O-N 3.39Å; I280-I283 PolarHBondContact O-N 3.25Å; I283-S285 PolarHBondContact O-N 3.27Å; I283-H286 PolarHBondContact O-N 2.86Å
284	L	93.6	Very high	92.7	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-30.5	179.1	-66.7	-174.6	0	0	0	112.4	R111 I280 L282 H286 L287 L292 L295 H305	R111-L284 PolarHBondContact NH1-O 3.02Å; R111-L284 VanDerWaalsContact NH2-C 3.32Å; R111-L284 PolarHBondContact NH2-O 3.36Å; I280-L284 HydrophobicContact CG2-CD1 4.14Å; I280-L284 HydrophobicContact CG2-CG 4.26Å; I280-L284 WeakPolarHBondContact O-CB 3.41Å; I280-L284 VanDerWaalsContact O-CG 3.27Å; I280-L284 WeakPolarHBondContact O-CG 3.45Å; I280-L284 PolarHBondContact O-N 3.43Å; L282-L284 VanDerWaalsContact C-N 3.31Å; L282-L284 PolarHBondContact O-N 3.41Å; L284-H286 PolarHBondContact O-N 3.32Å; L284-H286 VanDerWaalsContact O-N 3.17Å; L284-L287 HydrophobicContact CD2-CD1 3.73Å; L284-L287 WeakPolarHBondContact O-CB 3.42Å; L284-L287 PolarHBondContact O-N 3.46Å; L284-L292 HydrophobicContact CB-CD1 4.15Å; L284-L292 HydrophobicContact CD1-CD1 4.45Å; L284-L292 HydrophobicContact CD2-CD1 4.25Å; L284-L295 HydrophobicContact CD2-CD2 3.3Å; L284-H305 HydrophobicContact CD1-CB 3.49Å; L284-H305 VanDerWaalsContact CD1-CB 3.49Å
285	S	91.9	Very high	93.1	Very high	40 Å²	40	60.1 Å²	60.1	28%	0.28	30%	0.303	S	S	.	.	H	α-helix	trans	-60.5	-22.6	-179	82.4	0	0	0	0	114	Q281 L282 I283	Q281-S285 WeakPolarHBondContact O-CB 3.3Å; Q281-S285 PolarHBondContact O-N 3.3Å; L282-S285 VanDerWaalsContact O-CB 3.32Å; L282-S285 WeakPolarHBondContact O-CB 3.5Å; L282-S285 PolarHBondContact O-N 3.01Å; L282-S285 VanDerWaalsContact O-N 3.07Å; L282-S285 PolarHBondContact O-OG 3.49Å; I283-S285 PolarHBondContact O-N 3.27Å
286	H	92	Very high	93.3	Very high	154 Å²	154	57 Å²	57	71%	0.713	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-12.2	177.7	-67.6	-74.6	0	0	0	114.2	L282 I283 L284	L282-H286 PolarHBondContact O-CD2 2.9Å; L282-H286 VanDerWaalsContact O-CD2 3.26Å; I283-H286 PolarHBondContact O-N 2.86Å; L284-H286 PolarHBondContact O-N 3.32Å; L284-H286 VanDerWaalsContact O-N 3.17Å
287	L	93.5	Very high	93.4	Very high	47 Å²	47	61.3 Å²	61.3	25%	0.246	30%	0.302	C	S	.	.	S	Bend	trans	-74.9	149.4	-179	-60.6	-179.8	0	0	0	112	R111 L284 D291 L292 L295	R111-L287 PolarHBondContact NH1-O 3.27Å; L284-L287 HydrophobicContact CD2-CD1 3.73Å; L284-L287 WeakPolarHBondContact O-CB 3.42Å; L284-L287 PolarHBondContact O-N 3.46Å; L287-D291 HydrophobicContact CB-CB 4.03Å; L287-D291 HydrophobicContact CD2-CB 4.35Å; L287-L292 HydrophobicContact CD1-CD1 4.26Å; L287-L295 HydrophobicContact CD1-CD2 3.54Å
288	T	93.9	Very high	93.5	Very high	32 Å²	32	60.7 Å²	60.7	20%	0.196	31%	0.309	C	S	.	.			trans	-71.3	162.1	166.2	72.2	0	0	0	0	110.1	P113 D291 L292	P113-T288 HydrophobicContact CB-CG2 4.22Å; P113-T288 HydrophobicContact CG-CG2 4.27Å; T288-D291 PolarHBondContact O-N 3.49Å; T288-D291 VanDerWaalsContact O-N 3.17Å; T288-D291 VanDerWaalsContact OG1-CG 3.24Å; T288-D291 PolarHBondContact OG1-N 3.31Å; T288-D291 PolarHBondContact OG1-OD2 3.49Å; T288-L292 WeakPolarHBondContact O-CB 3.36Å; T288-L292 PolarHBondContact O-N 3.25Å
289	L	93.6	Very high	93.4	Very high	17 Å²	17	56.5 Å²	56.5	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-57.7	-45.3	177.7	177.2	67.9	0	0	0	112.8	D291 L292 C293 Y312 L315 L317 Y320 L332	L289-D291 PolarHBondContact O-N 2.92Å; L289-L292 PolarHBondContact O-N 2.93Å; L289-C293 PolarHBondContact O-N 3.12Å; L289-C293 PolarHBondContact O-SG 2.91Å; L289-Y312 HydrophobicContact CD1-CD1 4.5Å; L289-Y312 HydrophobicContact CD1-CE1 3.67Å; L289-L315 HydrophobicContact CD1-CD1 4.32Å; L289-L315 HydrophobicContact CD2-CD1 3.92Å; L289-L317 HydrophobicContact CD2-CD2 3.37Å; L289-Y320 HydrophobicContact CB-CE2 4.13Å; L289-Y320 HydrophobicContact CD2-CE2 4.38Å; L289-L332 HydrophobicContact CD1-CD2 4Å; L289-L332 HydrophobicContact CD2-CD1 4.21Å
290	P	93.6	Very high	93.3	Very high	35 Å²	35	61.1 Å²	61.1	23%	0.227	31%	0.31	C	S	.	.	H	α-helix	trans	-60	-40	172.9	-26.8	35.4	0	0	0	113.9	C293 R294 Y320	P290-C293 PolarHBondContact O-N 2.96Å; P290-R294 WeakPolarHBondContact O-CG 3.35Å; P290-R294 PolarHBondContact O-N 3.03Å; P290-Y320 WeakPolarHBondContact CD-OH 3.35Å; P290-Y320 HydrophobicContact CG-CD1 4.15Å; P290-Y320 HydrophobicContact CG-CE1 3.47Å; P290-Y320 VanDerWaalsContact CG-CE1 3.47Å
291	D	94.9	Very high	93.2	Very high	58 Å²	58	62.3 Å²	62.3	31%	0.31	32%	0.316	S	S	.	.	H	α-helix	trans	-63.7	-42.8	176.7	-69.5	-45	0	0	0	111.6	L287 T288 L289 C293 R294 L295	L287-D291 HydrophobicContact CB-CB 4.03Å; L287-D291 HydrophobicContact CD2-CB 4.35Å; T288-D291 PolarHBondContact O-N 3.49Å; T288-D291 VanDerWaalsContact O-N 3.17Å; T288-D291 VanDerWaalsContact OG1-CG 3.24Å; T288-D291 PolarHBondContact OG1-N 3.31Å; T288-D291 PolarHBondContact OG1-OD2 3.49Å; L289-D291 PolarHBondContact O-N 2.92Å; D291-C293 VanDerWaalsContact C-N 3.31Å; D291-C293 PolarHBondContact O-N 3.42Å; D291-R294 PolarHBondContact O-N 3.5Å; D291-R294 IonicContact OD1-CZ 3.01Å; D291-R294 IonicContact OD1-NE 3.44Å; D291-R294 PolarHBondContact OD1-NE 3.49Å; D291-R294 IonicContact OD1-NH2 2.64Å; D291-R294 PolarHBondContact OD1-NH2 2.83Å; D291-L295 WeakPolarHBondContact O-CB 3.48Å; D291-L295 PolarHBondContact O-N 3.24Å
292	L	94.6	Very high	93.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.6	-42.7	176.2	-165.2	69.9	0	0	0	111.1	L284 L287 T288 L289 L295 A296 C306 Q311 Y312	L284-L292 HydrophobicContact CB-CD1 4.15Å; L284-L292 HydrophobicContact CD1-CD1 4.45Å; L284-L292 HydrophobicContact CD2-CD1 4.25Å; L287-L292 HydrophobicContact CD1-CD1 4.26Å; T288-L292 WeakPolarHBondContact O-CB 3.36Å; T288-L292 PolarHBondContact O-N 3.25Å; L289-L292 PolarHBondContact O-N 2.93Å; L292-L295 PolarHBondContact O-N 3.39Å; L292-A296 WeakPolarHBondContact O-CB 3.41Å; L292-A296 PolarHBondContact O-N 3Å; L292-C306 HydrophobicContact CD1-CB 3.87Å; L292-C306 HydrophobicContact CG-CB 3.98Å; L292-Q311 HydrophobicContact CD2-CB 4.31Å; L292-Y312 HydrophobicContact CD2-CE1 4.19Å; L292-Y312 HydrophobicContact CD2-CE2 4.23Å; L292-Y312 VanDerWaalsContact CD2-OH 3.28Å; L292-Y312 WeakPolarHBondContact CD2-OH 3.3Å
293	C	93.5	Very high	93.2	Very high	36 Å²	36	61.9 Å²	61.9	24%	0.243	31%	0.312	C	S	.	.	H	α-helix	trans	-66.3	-34.8	175.5	-72.1	0	0	0	0	113.3	L289 P290 D291 Q297 R335	L289-C293 PolarHBondContact O-N 3.12Å; L289-C293 PolarHBondContact O-SG 2.91Å; P290-C293 PolarHBondContact O-N 2.96Å; D291-C293 VanDerWaalsContact C-N 3.31Å; D291-C293 PolarHBondContact O-N 3.42Å; C293-Q297 PolarHBondContact O-NE2 2.92Å; C293-R335 PolarHBondContact SG-NH1 2.92Å; C293-R335 VanDerWaalsContact SG-NH1 3.42Å
294	R	95.6	Very high	93.3	Very high	142 Å²	142	64.4 Å²	64.4	54%	0.536	32%	0.322	S	S	.	.	H	α-helix	trans	-69	-46.1	173.1	-76.5	-174.2	-76.4	-96.4	8.3	111.3	P290 D291 A296 Q297	P290-R294 WeakPolarHBondContact O-CG 3.35Å; P290-R294 PolarHBondContact O-N 3.03Å; D291-R294 PolarHBondContact O-N 3.5Å; D291-R294 IonicContact OD1-CZ 3.01Å; D291-R294 IonicContact OD1-NE 3.44Å; D291-R294 PolarHBondContact OD1-NE 3.49Å; D291-R294 IonicContact OD1-NH2 2.64Å; D291-R294 PolarHBondContact OD1-NH2 2.83Å; R294-A296 VanDerWaalsContact C-N 3.28Å; R294-A296 PolarHBondContact O-N 2.56Å; R294-Q297 WeakPolarHBondContact O-CB 3.1Å; R294-Q297 PolarHBondContact O-N 3.3Å
295	L	94.9	Very high	93.3	Very high	48 Å²	48	65 Å²	65	25%	0.251	33%	0.325	S	S	.	.	H	α-helix	trans	-62.9	-36.6	-179.4	-171.3	63	0	0	0	111.9	L284 L287 D291 L292 Q297 T298 L302	L284-L295 HydrophobicContact CD2-CD2 3.3Å; L287-L295 HydrophobicContact CD1-CD2 3.54Å; D291-L295 WeakPolarHBondContact O-CB 3.48Å; D291-L295 PolarHBondContact O-N 3.24Å; L292-L295 PolarHBondContact O-N 3.39Å; L295-Q297 PolarHBondContact O-N 2.82Å; L295-T298 HydrophobicContact CD1-CG2 4.19Å; L295-T298 WeakPolarHBondContact O-CB 3.2Å; L295-T298 WeakPolarHBondContact O-CG2 3.31Å; L295-T298 PolarHBondContact O-N 3.05Å; L295-T298 PolarHBondContact O-OG1 3.11Å; L295-L302 HydrophobicContact CD1-CD1 3.78Å; L295-L302 HydrophobicContact CG-CB 4.41Å; L295-L302 HydrophobicContact CG-CD1 4.19Å
296	A	94.4	Very high	93.4	Very high	4 Å²	4	63.1 Å²	63.1	3%	0.033	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-13.6	175	0	0	0	0	0	114.5	L292 R294 H303 C306	L292-A296 WeakPolarHBondContact O-CB 3.41Å; L292-A296 PolarHBondContact O-N 3Å; R294-A296 VanDerWaalsContact C-N 3.28Å; R294-A296 PolarHBondContact O-N 2.56Å; A296-H303 WeakPolarHBondContact O-CB 3.49Å; A296-H303 PolarHBondContact O-ND1 3.02Å; A296-C306 HydrophobicContact CB-CB 3.64Å
297	Q	94.5	Very high	93.6	Very high	158 Å²	158	57.2 Å²	57.2	74%	0.738	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-3.2	179.4	-63.4	169.9	61.9	0	0	112.9	C293 R294 L295	C293-Q297 PolarHBondContact O-NE2 2.92Å; R294-Q297 WeakPolarHBondContact O-CB 3.1Å; R294-Q297 PolarHBondContact O-N 3.3Å; L295-Q297 PolarHBondContact O-N 2.82Å
298	T	93.2	Very high	93.7	Very high	88 Å²	88	56.1 Å²	56.1	54%	0.54	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-45.5	-172.6	59.8	0	0	0	0	113.6	L295 L302	L295-T298 HydrophobicContact CD1-CG2 4.19Å; L295-T298 WeakPolarHBondContact O-CB 3.2Å; L295-T298 WeakPolarHBondContact O-CG2 3.31Å; L295-T298 PolarHBondContact O-N 3.05Å; L295-T298 PolarHBondContact O-OG1 3.11Å; T298-L302 WeakPolarHBondContact OG1-CD1 3.3Å
299	C	90.1	Very high	93.7	Very high	44 Å²	44	56.2 Å²	56.2	30%	0.297	28%	0.283	S	S	.	.			trans	-156.7	165.6	177.9	70.5	0	0	0	0	111.5	L301 L302 H303	C299-L301 PolarHBondContact O-N 3.17Å; C299-L302 PolarHBondContact O-N 3.1Å; C299-L302 VanDerWaalsContact SG-CG 3.59Å; C299-L302 PolarHBondContact SG-N 2.77Å; C299-L302 VanDerWaalsContact SG-N 3.42Å; C299-H303 VanDerWaalsContact O-CB 3.32Å; C299-H303 WeakPolarHBondContact O-CB 3.38Å; C299-H303 PolarHBondContact O-N 3.16Å
300	K	91.2	Very high	93.7	Very high	181 Å²	181	60 Å²	60	79%	0.787	30%	0.302	S	S	*	.	H	α-helix	trans	-61.9	-39.3	-178.1	-67.6	-177.3	179.8	178.6	0	113.1	H303 Q304	K300-H303 WeakPolarHBondContact O-CB 3.49Å; K300-H303 PolarHBondContact O-N 3.5Å; K300-Q304 WeakPolarHBondContact O-CG 3.27Å; K300-Q304 PolarHBondContact O-N 2.98Å; K300-Q304 VanDerWaalsContact O-N 3.12Å
301	L	90.4	Very high	93.7	Very high	28 Å²	28	59.1 Å²	59.1	15%	0.147	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-55.9	178.1	177.9	69.3	0	0	0	110.7	N269 F272 D273 C299 H303 Q304 H305	N269-L301 HydrophobicContact CB-CB 4.48Å; N269-L301 HydrophobicContact CB-CD2 3.83Å; F272-L301 HydrophobicContact CB-CD2 4.09Å; D273-L301 WeakPolarHBondContact OD1-CD2 3.46Å; C299-L301 PolarHBondContact O-N 3.17Å; L301-H303 VanDerWaalsContact C-N 3.26Å; L301-H303 PolarHBondContact O-N 3.43Å; L301-Q304 WeakPolarHBondContact O-CB 3.48Å; L301-Q304 PolarHBondContact O-N 3.17Å; L301-Q304 VanDerWaalsContact O-N 3.1Å; L301-H305 PolarHBondContact O-CD2 2.65Å; L301-H305 VanDerWaalsContact O-CD2 3.28Å; L301-H305 PolarHBondContact O-N 3.24Å; L301-H305 VanDerWaalsContact O-N 3.13Å
302	L	91.9	Very high	93.7	Very high	16 Å²	16	56.5 Å²	56.5	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-31.1	-179.6	-68.6	173.1	0	0	0	112	F272 L295 T298 C299 H305 C306	F272-L302 HydrophobicContact CD1-CD2 4.15Å; F272-L302 HydrophobicContact CE1-CD2 4.28Å; L295-L302 HydrophobicContact CD1-CD1 3.78Å; L295-L302 HydrophobicContact CG-CB 4.41Å; L295-L302 HydrophobicContact CG-CD1 4.19Å; T298-L302 WeakPolarHBondContact OG1-CD1 3.3Å; C299-L302 PolarHBondContact O-N 3.1Å; C299-L302 VanDerWaalsContact SG-CG 3.59Å; C299-L302 PolarHBondContact SG-N 2.77Å; C299-L302 VanDerWaalsContact SG-N 3.42Å; L302-H305 PolarHBondContact O-N 2.79Å; L302-C306 WeakPolarHBondContact O-CB 3.31Å; L302-C306 PolarHBondContact O-N 3.18Å; L302-C306 PolarHBondContact O-SG 2.83Å
303	H	93.9	Very high	93.8	Very high	89 Å²	89	57.9 Å²	57.9	41%	0.412	29%	0.29	S	S	.	.	H	α-helix	trans	-56.5	-49.3	170.1	-175.7	86.7	0	0	0	111.8	A296 C299 K300 L301 C306 C307	A296-H303 WeakPolarHBondContact O-CB 3.49Å; A296-H303 PolarHBondContact O-ND1 3.02Å; C299-H303 VanDerWaalsContact O-CB 3.32Å; C299-H303 WeakPolarHBondContact O-CB 3.38Å; C299-H303 PolarHBondContact O-N 3.16Å; K300-H303 WeakPolarHBondContact O-CB 3.49Å; K300-H303 PolarHBondContact O-N 3.5Å; L301-H303 VanDerWaalsContact C-N 3.26Å; L301-H303 PolarHBondContact O-N 3.43Å; H303-C306 PolarHBondContact O-N 3.01Å; H303-C307 VanDerWaalsContact O-CB 3.26Å; H303-C307 WeakPolarHBondContact O-CB 3.48Å; H303-C307 PolarHBondContact O-N 3.05Å; H303-C307 PolarHBondContact O-SG 3.02Å
304	Q	93.1	Very high	93.9	Very high	134 Å²	134	58 Å²	58	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-61	-47.8	179.3	-71.6	173.1	-18.7	0	0	111.4	K300 L301 C307 D308	K300-Q304 WeakPolarHBondContact O-CG 3.27Å; K300-Q304 PolarHBondContact O-N 2.98Å; K300-Q304 VanDerWaalsContact O-N 3.12Å; L301-Q304 WeakPolarHBondContact O-CB 3.48Å; L301-Q304 PolarHBondContact O-N 3.17Å; L301-Q304 VanDerWaalsContact O-N 3.1Å; Q304-C307 PolarHBondContact O-N 3.31Å; Q304-D308 PolarHBondContact O-N 2.88Å
305	H	94	Very high	93.9	Very high	15 Å²	15	51.5 Å²	51.5	7%	0.069	26%	0.263	C	S	.	.	H	α-helix	trans	-66.8	-40.9	179.2	-73.9	-82.4	0	0	0	113.2	Y277 I280 Q281 L284 L301 L302 C307 D308	Y277-H305 AromaticContact CD2-CE1 3.3Å; Y277-H305 WeakPolarHBondContact CD2-CE1 3.26Å; Y277-H305 AromaticContact CD2-ND1 3.86Å; Y277-H305 AromaticContact CE2-CE1 3.35Å; Y277-H305 WeakPolarHBondContact CE2-CE1 3.15Å; Y277-H305 AromaticContact CE2-ND1 3.5Å; Y277-H305 WeakPolarHBondContact CE2-ND1 3.38Å; I280-H305 HydrophobicContact CG2-CB 4.04Å; Q281-H305 PolarHBondContact NE2-ND1 2.71Å; Q281-H305 PolarHBondContact OE1-O 3.07Å; L284-H305 HydrophobicContact CD1-CB 3.49Å; L284-H305 VanDerWaalsContact CD1-CB 3.49Å; L301-H305 PolarHBondContact O-CD2 2.65Å; L301-H305 VanDerWaalsContact O-CD2 3.28Å; L301-H305 PolarHBondContact O-N 3.24Å; L301-H305 VanDerWaalsContact O-N 3.13Å; L302-H305 PolarHBondContact O-N 2.79Å; H305-C307 VanDerWaalsContact C-N 3.26Å; H305-C307 PolarHBondContact O-N 2.81Å; H305-D308 VanDerWaalsContact O-CB 3.27Å; H305-D308 WeakPolarHBondContact O-CB 3.37Å; H305-D308 PolarHBondContact O-N 2.71Å
306	C	95.3	Very high	93.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68.4	-27.3	178.3	-68.3	0	0	0	0	112.4	L292 A296 L302 H303 D308 Y312	L292-C306 HydrophobicContact CD1-CB 3.87Å; L292-C306 HydrophobicContact CG-CB 3.98Å; A296-C306 HydrophobicContact CB-CB 3.64Å; L302-C306 WeakPolarHBondContact O-CB 3.31Å; L302-C306 PolarHBondContact O-N 3.18Å; L302-C306 PolarHBondContact O-SG 2.83Å; H303-C306 PolarHBondContact O-N 3.01Å; C306-D308 VanDerWaalsContact C-N 3.34Å; C306-Y312 VanDerWaalsContact O-CE2 3.24Å; C306-Y312 WeakPolarHBondContact O-CE2 3.29Å; C306-Y312 PolarHBondContact O-OH 3.42Å
307	C	95.1	Very high	93.9	Very high	29 Å²	29	49.6 Å²	49.6	20%	0.196	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	0.8	175.6	-69.7	0	0	0	0	113.3	H303 Q304 H305 R335	H303-C307 VanDerWaalsContact O-CB 3.26Å; H303-C307 WeakPolarHBondContact O-CB 3.48Å; H303-C307 PolarHBondContact O-N 3.05Å; H303-C307 PolarHBondContact O-SG 3.02Å; Q304-C307 PolarHBondContact O-N 3.31Å; H305-C307 VanDerWaalsContact C-N 3.26Å; H305-C307 PolarHBondContact O-N 2.81Å; C307-R335 HydrophobicContact CB-CG 4.33Å; C307-R335 PolarHBondContact SG-NE 3.48Å
308	D	95.4	Very high	93.9	Very high	25 Å²	25	43.5 Å²	43.5	13%	0.134	22%	0.224	C	C	.	.			trans	-62.5	129.5	179.7	-176.7	-71.3	0	0	0	111.1	Y277 Q304 H305 C306 L310 Q311 Y312	Y277-D308 PolarHBondContact OH-OD2 3.08Å; Q304-D308 PolarHBondContact O-N 2.88Å; H305-D308 VanDerWaalsContact O-CB 3.27Å; H305-D308 WeakPolarHBondContact O-CB 3.37Å; H305-D308 PolarHBondContact O-N 2.71Å; C306-D308 VanDerWaalsContact C-N 3.34Å; D308-L310 VanDerWaalsContact C-N 3.26Å; D308-L310 PolarHBondContact O-N 2.53Å; D308-L310 WeakPolarHBondContact OD1-CA 3.35Å; D308-L310 WeakPolarHBondContact OD1-CB 3.43Å; D308-L310 VanDerWaalsContact OD1-CG 3.25Å; D308-L310 WeakPolarHBondContact OD1-CG 3.48Å; D308-L310 PolarHBondContact OD1-N 2.62Å; D308-Q311 WeakPolarHBondContact O-CB 3.28Å; D308-Q311 PolarHBondContact O-N 3.09Å; D308-Y312 WeakPolarHBondContact O-CD2 3.24Å
309	P	95.1	Very high	93.9	Very high	34 Å²	34	40.4 Å²	40.4	22%	0.221	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.3	-24.9	-177.7	-26.6	35.8	0	0	0	116.8	Q311 Y312 T313 R335 T337 L338	P309-Q311 PolarHBondContact O-N 2.6Å; P309-Y312 CarbonylContact O-C 3.51Å; P309-Y312 PolarHBondContact O-N 3.28Å; P309-T313 PolarHBondContact O-N 3.1Å; P309-R335 VanDerWaalsContact CA-O 3.28Å; P309-R335 WeakPolarHBondContact CA-O 3.39Å; P309-T337 WeakPolarHBondContact CB-OG1 3.43Å; P309-T337 WeakPolarHBondContact CG-OG1 3.47Å; P309-L338 HydrophobicContact CB-CB 4.12Å; P309-L338 HydrophobicContact CB-CD1 3.97Å; P309-L338 HydrophobicContact CB-CG 3.8Å
310	L	93.4	Very high	94.1	Very high	95 Å²	95	40.3 Å²	40.3	50%	0.497	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-60.1	-29	175.6	-63.2	172.3	0	0	0	111.4	D308 Y312 T313 L338	D308-L310 VanDerWaalsContact C-N 3.26Å; D308-L310 PolarHBondContact O-N 2.53Å; D308-L310 WeakPolarHBondContact OD1-CA 3.35Å; D308-L310 WeakPolarHBondContact OD1-CB 3.43Å; D308-L310 VanDerWaalsContact OD1-CG 3.25Å; D308-L310 WeakPolarHBondContact OD1-CG 3.48Å; D308-L310 PolarHBondContact OD1-N 2.62Å; L310-Y312 PolarHBondContact O-N 3.13Å; L310-T313 PolarHBondContact O-OG1 3.41Å; L310-L338 HydrophobicContact CD2-CD1 3.91Å
311	Q	93.3	Very high	94.1	Very high	18 Å²	18	32.6 Å²	32.6	8%	0.084	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-72.8	-13	177.1	-59	-55.2	-16.6	0	0	114	R111 Q281 L292 D308 P309	R111-Q311 PolarHBondContact NE-O 3.17Å; R111-Q311 VanDerWaalsContact NH2-CD 3.3Å; Q281-Q311 PolarHBondContact O-NE2 3Å; L292-Q311 HydrophobicContact CD2-CB 4.31Å; D308-Q311 WeakPolarHBondContact O-CB 3.28Å; D308-Q311 PolarHBondContact O-N 3.09Å; P309-Q311 PolarHBondContact O-N 2.6Å
312	Y	95.4	Very high	94	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.008	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-120.5	16.1	-175	-58.5	-85.4	0	0	0	112.9	L289 L292 C306 D308 P309 L310 Q314 L315 L332 R335 L339	L289-Y312 HydrophobicContact CD1-CD1 4.5Å; L289-Y312 HydrophobicContact CD1-CE1 3.67Å; L292-Y312 HydrophobicContact CD2-CE1 4.19Å; L292-Y312 HydrophobicContact CD2-CE2 4.23Å; L292-Y312 VanDerWaalsContact CD2-OH 3.28Å; L292-Y312 WeakPolarHBondContact CD2-OH 3.3Å; C306-Y312 VanDerWaalsContact O-CE2 3.24Å; C306-Y312 WeakPolarHBondContact O-CE2 3.29Å; C306-Y312 PolarHBondContact O-OH 3.42Å; D308-Y312 WeakPolarHBondContact O-CD2 3.24Å; P309-Y312 CarbonylContact O-C 3.51Å; P309-Y312 PolarHBondContact O-N 3.28Å; L310-Y312 PolarHBondContact O-N 3.13Å; Y312-Q314 PolarHBondContact O-N 3.19Å; Y312-L315 HydrophobicContact CD1-CD1 4.39Å; Y312-L332 HydrophobicContact CE1-CD2 4.19Å; Y312-R335 HydrophobicContact CD1-CB 4.47Å; Y312-R335 HydrophobicContact CD2-CB 3.61Å; Y312-R335 HydrophobicContact CE1-CB 4.38Å; Y312-R335 HydrophobicContact CE2-CB 3.5Å; Y312-R335 HydrophobicContact CE2-CG 4.2Å; Y312-R335 HydrophobicContact CG-CB 4.11Å; Y312-R335 WeakPolarHBondContact OH-CD 3.43Å; Y312-R335 PolarHBondContact OH-NH1 3.45Å; Y312-L339 WeakPolarHBondContact O-CD1 2.93Å
313	T	96	Very high	93.7	Very high	29 Å²	29	42.1 Å²	42.1	18%	0.178	21%	0.207	C	C	.	.	S	Bend	trans	-59.1	-32.6	173.5	50.3	0	0	0	0	112.1	P309 L310 L338 Q340 R341	P309-T313 PolarHBondContact O-N 3.1Å; L310-T313 PolarHBondContact O-OG1 3.41Å; T313-L338 HydrophobicContact CG2-CB 4.24Å; T313-Q340 PolarHBondContact O-N 2.89Å; T313-R341 PolarHBondContact O-N 3.49Å; T313-R341 VanDerWaalsContact O-N 3.12Å
314	Q	96.1	Very high	93.5	Very high	38 Å²	38	38.7 Å²	38.7	18%	0.178	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.6	171.4	-52.8	-175.1	15.8	0	0	109	F109 Y312 R341	F109-Q314 HydrophobicContact CD1-CB 4.32Å; Y312-Q314 PolarHBondContact O-N 3.19Å; Q314-R341 WeakPolarHBondContact CA-O 3.46Å; Q314-R341 HydrophobicContact CB-CB 4.31Å; Q314-R341 HydrophobicContact CG-CB 4.18Å; Q314-R341 HydrophobicContact CG-CG 4.18Å
315	L	95.4	Very high	93.4	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	107.5	-176.2	-177.2	61.4	0	0	0	110	L289 Y312 L317 L332 L339 R341 L342 N343	L289-L315 HydrophobicContact CD1-CD1 4.32Å; L289-L315 HydrophobicContact CD2-CD1 3.92Å; Y312-L315 HydrophobicContact CD1-CD1 4.39Å; L315-L317 HydrophobicContact CD1-CD2 3.83Å; L315-L317 HydrophobicContact CD1-CG 4.31Å; L315-L317 HydrophobicContact CD2-CD1 4.11Å; L315-L317 HydrophobicContact CD2-CD2 4.28Å; L315-L317 HydrophobicContact CD2-CG 4.2Å; L315-L317 HydrophobicContact CG-CD1 4.37Å; L315-L317 HydrophobicContact CG-CD2 3.99Å; L315-L317 HydrophobicContact CG-CG 3.92Å; L315-L332 HydrophobicContact CD2-CD1 4.3Å; L315-L339 HydrophobicContact CB-CD1 3.72Å; L315-R341 PolarHBondContact N-O 2.93Å; L315-L342 HydrophobicContact CB-CD1 4.27Å; L315-L342 HydrophobicContact CD2-CD1 4.11Å; L315-L342 HydrophobicContact CG-CD1 4.27Å; L315-L342 WeakPolarHBondContact O-CA 3.19Å; L315-N343 PolarHBondContact O-N 3.11Å
316	S	95.1	Very high	93.3	Very high	10 Å²	10	35.4 Å²	35.4	7%	0.07	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.8	168.4	-171.5	0	0	0	0	110.2	N343	S316-N343 PolarHBondContact OG-ND2 3.32Å
317	L	94.6	Very high	93.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.203	C	C	.	.			trans	-104.6	-9.6	176.4	-62.2	177.5	0	0	0	112.3	L289 L315 P319 Y320 W321 L324 L329 L332 L342 N343 L344	L289-L317 HydrophobicContact CD2-CD2 3.37Å; L315-L317 HydrophobicContact CD1-CD2 3.83Å; L315-L317 HydrophobicContact CD1-CG 4.31Å; L315-L317 HydrophobicContact CD2-CD1 4.11Å; L315-L317 HydrophobicContact CD2-CD2 4.28Å; L315-L317 HydrophobicContact CD2-CG 4.2Å; L315-L317 HydrophobicContact CG-CD1 4.37Å; L315-L317 HydrophobicContact CG-CD2 3.99Å; L315-L317 HydrophobicContact CG-CG 3.92Å; L317-P319 VanDerWaalsContact C-CD 3.45Å; L317-P319 VanDerWaalsContact C-N 3.35Å; L317-Y320 CarbonylContact O-C 3.57Å; L317-Y320 WeakPolarHBondContact O-CA 3.08Å; L317-Y320 PolarHBondContact O-N 2.71Å; L317-W321 PolarHBondContact O-N 3.15Å; L317-L324 HydrophobicContact CB-CD1 3.62Å; L317-L324 HydrophobicContact CB-CD2 4.05Å; L317-L324 HydrophobicContact CB-CG 4.47Å; L317-L324 HydrophobicContact CD1-CD2 4.23Å; L317-L324 HydrophobicContact CD2-CD2 4.28Å; L317-L324 HydrophobicContact CG-CD2 4.42Å; L317-L329 HydrophobicContact CD1-CD2 3.76Å; L317-L332 HydrophobicContact CD1-CD1 4.33Å; L317-L332 HydrophobicContact CD2-CD1 3.97Å; L317-L342 HydrophobicContact CD1-CD1 4.37Å; L317-N343 PolarHBondContact N-O 3.29Å; L317-L344 HydrophobicContact CB-CD2 4.06Å; L317-L344 HydrophobicContact CD1-CD2 3.59Å; L317-L344 HydrophobicContact CG-CD2 4.39Å
318	Q	94.3	Very high	92.9	Very high	30 Å²	30	38.4 Å²	38.4	14%	0.14	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-48.7	-44.3	176.2	176.9	-174	27.4	0	0	113.6	F116 Y320 W321 N343 W346	F116-Q318 HydrophobicContact CZ-CG 4.1Å; Q318-Y320 PolarHBondContact O-N 3.19Å; Q318-W321 VanDerWaalsContact O-CB 3.28Å; Q318-W321 WeakPolarHBondContact O-CB 3.46Å; Q318-W321 PolarHBondContact O-N 3.4Å; Q318-N343 PolarHBondContact N-O 3.47Å; Q318-N343 PolarHBondContact OE1-ND2 2.5Å; Q318-W346 HydrophobicContact CG-CD2 3.97Å; Q318-W346 HydrophobicContact CG-CE3 3.84Å; Q318-W346 HydrophobicContact CG-CG 4.4Å; Q318-W346 HydrophobicContact CG-CZ3 4.29Å
319	P	93.7	Very high	92.9	Very high	24 Å²	24	37.3 Å²	37.3	16%	0.156	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-60.4	-17.9	178.1	-24.9	35.8	0	0	0	114.7	T112 P113 F116 L317	T112-P319 HydrophobicContact CG2-CG 4.06Å; P113-P319 HydrophobicContact CG-CB 4.12Å; P113-P319 HydrophobicContact CG-CG 4.5Å; F116-P319 HydrophobicContact CB-CB 4.21Å; F116-P319 HydrophobicContact CB-CG 4.38Å; F116-P319 HydrophobicContact CD1-CB 4.26Å; F116-P319 HydrophobicContact CD1-CG 3.82Å; F116-P319 HydrophobicContact CD2-CB 3.68Å; F116-P319 HydrophobicContact CD2-CG 4.14Å; F116-P319 HydrophobicContact CE1-CG 4.09Å; F116-P319 HydrophobicContact CE2-CB 4.08Å; F116-P319 HydrophobicContact CE2-CG 4.4Å; F116-P319 HydrophobicContact CG-CB 3.77Å; F116-P319 HydrophobicContact CG-CG 3.83Å; F116-P319 HydrophobicContact CZ-CG 4.36Å; L317-P319 VanDerWaalsContact C-CD 3.45Å; L317-P319 VanDerWaalsContact C-N 3.35Å
320	Y	92.4	Very high	92.8	Very high	41 Å²	41	37.7 Å²	37.7	16%	0.161	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-111.3	13.5	-178.1	-44.5	-70	0	0	0	112.1	P113 L289 P290 L317 Q318 A322 R323 L324	P113-Y320 HydrophobicContact CG-CE1 4.27Å; P113-Y320 WeakPolarHBondContact CG-OH 3.5Å; L289-Y320 HydrophobicContact CB-CE2 4.13Å; L289-Y320 HydrophobicContact CD2-CE2 4.38Å; P290-Y320 WeakPolarHBondContact CD-OH 3.35Å; P290-Y320 HydrophobicContact CG-CD1 4.15Å; P290-Y320 HydrophobicContact CG-CE1 3.47Å; P290-Y320 VanDerWaalsContact CG-CE1 3.47Å; L317-Y320 CarbonylContact O-C 3.57Å; L317-Y320 WeakPolarHBondContact O-CA 3.08Å; L317-Y320 PolarHBondContact O-N 2.71Å; Q318-Y320 PolarHBondContact O-N 3.19Å; Y320-A322 PolarHBondContact O-N 3.07Å; Y320-R323 PolarHBondContact O-N 3Å; Y320-L324 WeakPolarHBondContact O-CG 3.27Å; Y320-L324 PolarHBondContact O-N 2.86Å
321	W	91.4	Very high	92.8	Very high	20 Å²	20	39.7 Å²	39.7	8%	0.076	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-44.6	-41.6	-171.3	66.6	-96.5	0	0	0	113.6	L150 W167 R201 E203 L317 Q318 R323 L324 W346	L150-W321 HydrophobicContact CD2-CZ2 4.31Å; W167-W321 AromaticContact CD1-CH2 3.69Å; W167-W321 AromaticContact CD1-CZ3 3.81Å; W167-W321 AromaticContact CD2-CH2 3.7Å; W167-W321 HydrophobicContact CD2-CH2 3.7Å; W167-W321 HydrophobicContact CD2-CZ2 4.49Å; W167-W321 HydrophobicContact CD2-CZ3 4.49Å; W167-W321 AromaticContact CE2-CH2 3.5Å; W167-W321 AromaticContact CE2-CZ3 3.99Å; W167-W321 HydrophobicContact CE3-CH2 4.38Å; W167-W321 AromaticContact CG-CH2 3.81Å; W167-W321 HydrophobicContact CG-CH2 3.81Å; W167-W321 HydrophobicContact CG-CZ3 4.37Å; W167-W321 HydrophobicContact CZ2-CH2 4Å; W167-W321 AromaticContact NE1-CH2 3.49Å; W167-W321 AromaticContact NE1-CZ3 3.53Å; R201-W321 VanDerWaalsContact CD-CZ2 3.48Å; R201-W321 VanDerWaalsContact NE-CZ2 3.34Å; E203-W321 PolarHBondContact OE1-NE1 3.33Å; L317-W321 PolarHBondContact O-N 3.15Å; Q318-W321 VanDerWaalsContact O-CB 3.28Å; Q318-W321 WeakPolarHBondContact O-CB 3.46Å; Q318-W321 PolarHBondContact O-N 3.4Å; W321-R323 PolarHBondContact O-N 3.23Å; W321-L324 PolarHBondContact O-N 3.29Å; W321-W346 HydrophobicContact CB-CB 4.16Å; W321-W346 AromaticContact CD1-CE3 3.9Å; W321-W346 HydrophobicContact CG-CB 4.12Å
322	A	88.1	Confident	92.8	Very high	38 Å²	38	39.3 Å²	39.3	31%	0.314	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-70.4	-15.3	-177.3	0	0	0	0	0	114.7	W167 Y320	W167-A322 HydrophobicContact CB-CB 3.86Å; W167-A322 HydrophobicContact CG-CB 4.05Å; Y320-A322 PolarHBondContact O-N 3.07Å
323	R	87	Confident	92.8	Very high	206 Å²	206	41.7 Å²	41.7	78%	0.777	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-113.1	0.8	-176.7	-62.5	-179.3	63.6	-176.7	0.5	113	Y320 W321	Y320-R323 PolarHBondContact O-N 3Å; W321-R323 PolarHBondContact O-N 3.23Å
324	L	89.3	Confident	92.7	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.084	25%	0.247	C	C	.	.			trans	-77.8	142	-177.7	-66.7	173.9	0	0	0	111.3	L317 Y320 W321 L344 T347 A352	L317-L324 HydrophobicContact CB-CD1 3.62Å; L317-L324 HydrophobicContact CB-CD2 4.05Å; L317-L324 HydrophobicContact CB-CG 4.47Å; L317-L324 HydrophobicContact CD1-CD2 4.23Å; L317-L324 HydrophobicContact CD2-CD2 4.28Å; L317-L324 HydrophobicContact CG-CD2 4.42Å; Y320-L324 WeakPolarHBondContact O-CG 3.27Å; Y320-L324 PolarHBondContact O-N 2.86Å; W321-L324 PolarHBondContact O-N 3.29Å; L324-L344 HydrophobicContact CD1-CD2 4.21Å; L324-T347 HydrophobicContact CB-CG2 4.42Å; L324-T347 HydrophobicContact CD1-CG2 3.5Å; L324-A352 WeakPolarHBondContact O-CB 3.42Å
325	S	89.9	Confident	92.6	Very high	34 Å²	34	44.3 Å²	44.3	24%	0.238	25%	0.245	C	C	.	.			trans	-150.7	169.7	178.5	63.1	0	0	0	0	111.4	A327 S328 L329 A352	S325-A327 PolarHBondContact O-N 3.34Å; S325-S328 PolarHBondContact N-OG 2.77Å; S325-S328 WeakPolarHBondContact O-CA 3.43Å; S325-S328 VanDerWaalsContact O-CB 3.3Å; S325-S328 WeakPolarHBondContact O-CB 3.32Å; S325-S328 PolarHBondContact O-N 3.12Å; S325-S328 PolarHBondContact OG-N 3.32Å; S325-S328 PolarHBondContact OG-OG 3.11Å; S325-L329 PolarHBondContact O-N 3.06Å; S325-L329 VanDerWaalsContact O-N 3.1Å; S325-A352 CarbonylContact C-O 3.54Å; S325-A352 WeakPolarHBondContact CA-O 3.27Å; S325-A352 WeakPolarHBondContact CB-O 3.39Å
326	D	92.2	Very high	92.7	Very high	46 Å²	46	44 Å²	44	25%	0.246	24%	0.243	C	C	.	.	H	α-helix	trans	-52.1	-43.2	171.2	-72.7	-0.5	0	0	0	111.9	S328 L329 G330 A352 L353 T354 G357	D326-S328 VanDerWaalsContact C-N 3.32Å; D326-S328 PolarHBondContact O-N 3.09Å; D326-L329 PolarHBondContact O-N 2.75Å; D326-G330 PolarHBondContact O-N 2.71Å; D326-A352 PolarHBondContact N-O 3.36Å; D326-L353 WeakPolarHBondContact OD1-CA 3.37Å; D326-L353 WeakPolarHBondContact OD1-CD1 3.38Å; D326-T354 PolarHBondContact OD1-N 3.22Å; D326-T354 PolarHBondContact OD1-OG1 3.26Å; D326-T354 WeakPolarHBondContact OD2-CB 3.15Å; D326-T354 WeakPolarHBondContact OD2-CG2 3.28Å; D326-T354 PolarHBondContact OD2-OG1 3.36Å; D326-G357 VanDerWaalsContact CG-CA 3.5Å; D326-G357 WeakPolarHBondContact OD1-CA 3.4Å; D326-G357 PolarHBondContact OD2-N 3.28Å
327	A	91.9	Very high	92.7	Very high	57 Å²	57	46.4 Å²	46.4	47%	0.471	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-42.2	176.3	0	0	0	0	0	111.3	S325 L329 G330 H331	S325-A327 PolarHBondContact O-N 3.34Å; A327-L329 VanDerWaalsContact C-N 3.34Å; A327-L329 PolarHBondContact O-N 2.85Å; A327-G330 PolarHBondContact O-N 2.69Å; A327-H331 PolarHBondContact O-N 2.95Å; A327-H331 PolarHBondContact O-ND1 2.98Å
328	S	91.7	Very high	92.8	Very high	35 Å²	35	50.3 Å²	50.3	25%	0.245	28%	0.278	C	S	.	.	H	α-helix	trans	-59.6	-44.1	178.1	-55.4	0	0	0	0	111.6	S325 D326 L332	S325-S328 PolarHBondContact N-OG 2.77Å; S325-S328 WeakPolarHBondContact O-CA 3.43Å; S325-S328 VanDerWaalsContact O-CB 3.3Å; S325-S328 WeakPolarHBondContact O-CB 3.32Å; S325-S328 PolarHBondContact O-N 3.12Å; S325-S328 PolarHBondContact OG-N 3.32Å; S325-S328 PolarHBondContact OG-OG 3.11Å; D326-S328 VanDerWaalsContact C-N 3.32Å; D326-S328 PolarHBondContact O-N 3.09Å; S328-L332 WeakPolarHBondContact O-CG 3.18Å; S328-L332 PolarHBondContact O-N 2.87Å
329	L	93.6	Very high	93	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-65.8	-40.9	174.8	-67.4	-166.5	0	0	0	112.3	L317 S325 D326 A327 H331 L332 Q333 L344 L353 F361	L317-L329 HydrophobicContact CD1-CD2 3.76Å; S325-L329 PolarHBondContact O-N 3.06Å; S325-L329 VanDerWaalsContact O-N 3.1Å; D326-L329 PolarHBondContact O-N 2.75Å; A327-L329 VanDerWaalsContact C-N 3.34Å; A327-L329 PolarHBondContact O-N 2.85Å; L329-H331 VanDerWaalsContact C-N 3.34Å; L329-H331 PolarHBondContact O-N 2.73Å; L329-L332 PolarHBondContact O-N 3.4Å; L329-L332 VanDerWaalsContact O-N 3.15Å; L329-Q333 WeakPolarHBondContact O-CB 3.48Å; L329-Q333 PolarHBondContact O-N 3.25Å; L329-L344 HydrophobicContact CD2-CD2 4.31Å; L329-L353 HydrophobicContact CD1-CD1 3.31Å; L329-L353 HydrophobicContact CD1-CD2 4.4Å; L329-L353 HydrophobicContact CG-CD1 3.99Å; L329-F361 HydrophobicContact CB-CB 4.32Å; L329-F361 HydrophobicContact CB-CD2 3.88Å; L329-F361 HydrophobicContact CB-CG 4.28Å; L329-F361 HydrophobicContact CD1-CB 3.98Å; L329-F361 HydrophobicContact CD1-CG 4.15Å; L329-F361 HydrophobicContact CD2-CD2 4.4Å
330	G	94.8	Very high	93.1	Very high	43 Å²	43	52.5 Å²	52.5	44%	0.443	29%	0.286	S	S	.	.	H	α-helix	trans	-56.9	-44.1	176.8	0	0	0	0	0	112.9	D326 A327 L332 Q333	D326-G330 PolarHBondContact O-N 2.71Å; A327-G330 PolarHBondContact O-N 2.69Å; G330-L332 VanDerWaalsContact C-N 3.32Å; G330-L332 PolarHBondContact O-N 2.8Å; G330-Q333 WeakPolarHBondContact O-CB 3.13Å; G330-Q333 PolarHBondContact O-N 2.73Å
331	H	92.1	Very high	93.4	Very high	136 Å²	136	51.4 Å²	51.4	63%	0.63	28%	0.282	S	S	*	.	H	α-helix	trans	-67.2	-30.4	177.7	-69.2	99.5	0	0	0	113.5	A327 L329	A327-H331 PolarHBondContact O-N 2.95Å; A327-H331 PolarHBondContact O-ND1 2.98Å; L329-H331 VanDerWaalsContact C-N 3.34Å; L329-H331 PolarHBondContact O-N 2.73Å
332	L	93.9	Very high	93.7	Very high	11 Å²	11	50.5 Å²	50.5	6%	0.058	28%	0.278	C	S	.	.	H	α-helix	trans	-84.8	-22.2	178.7	-66.4	173.6	0	0	0	112.6	L289 Y312 L315 L317 S328 L329 G330 S334 R335 C336	L289-L332 HydrophobicContact CD1-CD2 4Å; L289-L332 HydrophobicContact CD2-CD1 4.21Å; Y312-L332 HydrophobicContact CE1-CD2 4.19Å; L315-L332 HydrophobicContact CD2-CD1 4.3Å; L317-L332 HydrophobicContact CD1-CD1 4.33Å; L317-L332 HydrophobicContact CD2-CD1 3.97Å; S328-L332 WeakPolarHBondContact O-CG 3.18Å; S328-L332 PolarHBondContact O-N 2.87Å; L329-L332 PolarHBondContact O-N 3.4Å; L329-L332 VanDerWaalsContact O-N 3.15Å; G330-L332 VanDerWaalsContact C-N 3.32Å; G330-L332 PolarHBondContact O-N 2.8Å; L332-S334 VanDerWaalsContact C-N 3.3Å; L332-S334 PolarHBondContact O-N 2.83Å; L332-R335 PolarHBondContact O-N 2.95Å; L332-C336 PolarHBondContact O-N 2.69Å; L332-C336 PolarHBondContact O-SG 2.9Å
333	Q	95.2	Very high	94.1	Very high	52 Å²	52	49.1 Å²	49.1	24%	0.243	27%	0.266	C	S	.	.	H	α-helix	trans	-54.2	-42	-171.9	-173.1	177.3	-72.7	0	0	113.3	L329 G330 R335 C336 F361 A364 R365	L329-Q333 WeakPolarHBondContact O-CB 3.48Å; L329-Q333 PolarHBondContact O-N 3.25Å; G330-Q333 WeakPolarHBondContact O-CB 3.13Å; G330-Q333 PolarHBondContact O-N 2.73Å; Q333-R335 VanDerWaalsContact C-N 3.27Å; Q333-R335 PolarHBondContact O-N 3.31Å; Q333-C336 PolarHBondContact O-N 2.75Å; Q333-F361 HydrophobicContact CB-CD2 4.15Å; Q333-F361 HydrophobicContact CB-CE2 4.37Å; Q333-F361 HydrophobicContact CG-CD2 4.39Å; Q333-A364 HydrophobicContact CG-CB 3.89Å; Q333-R365 HydrophobicContact CG-CG 4.16Å; Q333-R365 VanDerWaalsContact O-CD 3.23Å; Q333-R365 WeakPolarHBondContact O-CD 3.3Å; Q333-R365 PolarHBondContact O-NE 3.42Å
334	S	94.1	Very high	94.5	Very high	87 Å²	87	39.3 Å²	39.3	61%	0.608	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.5	-179.1	58.6	0	0	0	0	113.5	L332	L332-S334 VanDerWaalsContact C-N 3.3Å; L332-S334 PolarHBondContact O-N 2.83Å
335	R	94.5	Very high	94.8	Very high	35 Å²	35	38.8 Å²	38.8	13%	0.132	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-21	-178.2	-46.3	-178.8	-169.6	179.8	2.6	112.3	C293 C307 P309 Y312 L332 Q333 T337	C293-R335 PolarHBondContact SG-NH1 2.92Å; C293-R335 VanDerWaalsContact SG-NH1 3.42Å; C307-R335 HydrophobicContact CB-CG 4.33Å; C307-R335 PolarHBondContact SG-NE 3.48Å; P309-R335 VanDerWaalsContact CA-O 3.28Å; P309-R335 WeakPolarHBondContact CA-O 3.39Å; Y312-R335 HydrophobicContact CD1-CB 4.47Å; Y312-R335 HydrophobicContact CD2-CB 3.61Å; Y312-R335 HydrophobicContact CE1-CB 4.38Å; Y312-R335 HydrophobicContact CE2-CB 3.5Å; Y312-R335 HydrophobicContact CE2-CG 4.2Å; Y312-R335 HydrophobicContact CG-CB 4.11Å; Y312-R335 WeakPolarHBondContact OH-CD 3.43Å; Y312-R335 PolarHBondContact OH-NH1 3.45Å; L332-R335 PolarHBondContact O-N 2.95Å; Q333-R335 VanDerWaalsContact C-N 3.27Å; Q333-R335 PolarHBondContact O-N 3.31Å; R335-T337 VanDerWaalsContact C-N 3.3Å; R335-T337 PolarHBondContact O-N 2.82Å
336	C	96.1	Very high	94.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.216	C	C	.	.			trans	-89.6	32.3	-173.2	-64.5	0	0	0	0	113.7	L332 Q333 L338 L339 F361 R365	L332-C336 PolarHBondContact O-N 2.69Å; L332-C336 PolarHBondContact O-SG 2.9Å; Q333-C336 PolarHBondContact O-N 2.75Å; C336-L338 VanDerWaalsContact C-N 3.27Å; C336-L338 PolarHBondContact O-N 2.92Å; C336-L339 HydrophobicContact CB-CB 4.06Å; C336-L339 HydrophobicContact CB-CD2 4.24Å; C336-L339 WeakPolarHBondContact O-CB 3.42Å; C336-L339 PolarHBondContact O-N 2.98Å; C336-F361 HydrophobicContact CB-CE2 4.48Å; C336-F361 HydrophobicContact CB-CZ 4.15Å; C336-R365 HydrophobicContact CB-CG 4.04Å; C336-R365 WeakPolarHBondContact O-CD 3.25Å
337	T	96	Very high	94.6	Very high	60 Å²	60	35.5 Å²	35.5	37%	0.368	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-23.1	-174.6	58.6	0	0	0	0	113.6	P309 R335	P309-T337 WeakPolarHBondContact CB-OG1 3.43Å; P309-T337 WeakPolarHBondContact CG-OG1 3.47Å; R335-T337 VanDerWaalsContact C-N 3.3Å; R335-T337 PolarHBondContact O-N 2.82Å
338	L	96.8	Very high	93.2	Very high	83 Å²	83	34.4 Å²	34.4	44%	0.435	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	21.2	176.4	-60.1	-178.2	0	0	0	112.8	P309 L310 T313 C336 Q340	P309-L338 HydrophobicContact CB-CB 4.12Å; P309-L338 HydrophobicContact CB-CD1 3.97Å; P309-L338 HydrophobicContact CB-CG 3.8Å; L310-L338 HydrophobicContact CD2-CD1 3.91Å; T313-L338 HydrophobicContact CG2-CB 4.24Å; C336-L338 VanDerWaalsContact C-N 3.27Å; C336-L338 PolarHBondContact O-N 2.92Å; L338-Q340 PolarHBondContact O-N 2.93Å
339	L	97.6	Very high	91.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	20%	0.199	C	C	.	.			trans	-62.4	127.7	-177.3	-178.4	66.7	0	0	0	111.2	Y312 L315 C336 R341 L342 F361 R365 S368 L369	Y312-L339 WeakPolarHBondContact O-CD1 2.93Å; L315-L339 HydrophobicContact CB-CD1 3.72Å; C336-L339 HydrophobicContact CB-CB 4.06Å; C336-L339 HydrophobicContact CB-CD2 4.24Å; C336-L339 WeakPolarHBondContact O-CB 3.42Å; C336-L339 PolarHBondContact O-N 2.98Å; L339-R341 VanDerWaalsContact CD1-O 3.3Å; L339-R341 WeakPolarHBondContact CD1-O 3.41Å; L339-L342 HydrophobicContact CD2-CB 4.28Å; L339-L342 HydrophobicContact CD2-CD1 4.43Å; L339-L342 HydrophobicContact CD2-CD2 4.43Å; L339-F361 HydrophobicContact CD2-CE1 3.86Å; L339-F361 HydrophobicContact CD2-CZ 3.98Å; L339-R365 HydrophobicContact CD2-CB 4.42Å; L339-S368 CarbonylContact O-C 3.59Å; L339-S368 PolarHBondContact O-OG 2.62Å; L339-L369 HydrophobicContact CD2-CD1 4.18Å; L339-L369 HydrophobicContact CG-CD1 3.94Å
340	Q	97.6	Very high	89.8	Confident	99 Å²	99	35.8 Å²	35.8	46%	0.463	21%	0.205	S	C	.	.			trans	-120.3	-29.2	178.3	-67.1	-179.9	-1.7	0	0	112.5	T313 L338 V370 C371	T313-Q340 PolarHBondContact O-N 2.89Å; L338-Q340 PolarHBondContact O-N 2.93Å; Q340-V370 PolarHBondContact O-N 3.45Å; Q340-C371 PolarHBondContact O-N 3.06Å; Q340-C371 VanDerWaalsContact O-N 3.09Å
341	R	98.1	Very high	88	Confident	18 Å²	18	35.7 Å²	35.7	7%	0.068	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	126.3	-179.7	-51.2	-173.6	65.8	-145.5	0.7	110.2	L107 A108 F109 T313 Q314 L315 L339 C371	L107-R341 VanDerWaalsContact O-CZ 3.23Å; L107-R341 PolarHBondContact O-NH1 3.1Å; L107-R341 PolarHBondContact O-NH2 3.49Å; A108-R341 PolarHBondContact O-NH1 3.33Å; A108-R341 VanDerWaalsContact O-NH1 3.13Å; F109-R341 HydrophobicContact CD1-CB 4.44Å; F109-R341 HydrophobicContact CE1-CB 3.67Å; F109-R341 HydrophobicContact CZ-CB 4.03Å; T313-R341 PolarHBondContact O-N 3.49Å; T313-R341 VanDerWaalsContact O-N 3.12Å; Q314-R341 WeakPolarHBondContact CA-O 3.46Å; Q314-R341 HydrophobicContact CB-CB 4.31Å; Q314-R341 HydrophobicContact CG-CB 4.18Å; Q314-R341 HydrophobicContact CG-CG 4.18Å; L315-R341 PolarHBondContact N-O 2.93Å; L339-R341 VanDerWaalsContact CD1-O 3.3Å; L339-R341 WeakPolarHBondContact CD1-O 3.41Å; R341-C371 WeakPolarHBondContact CA-O 3.37Å; R341-C371 HydrophobicContact CB-CB 4.05Å; R341-C371 HydrophobicContact CG-CB 3.87Å
342	L	97.6	Very high	87.3	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.2	-179.8	-179.6	62	0	0	0	110.3	L315 L317 L339 L344 F361 M362 L369 C371 L372 E373	L315-L342 HydrophobicContact CB-CD1 4.27Å; L315-L342 HydrophobicContact CD2-CD1 4.11Å; L315-L342 HydrophobicContact CG-CD1 4.27Å; L315-L342 WeakPolarHBondContact O-CA 3.19Å; L317-L342 HydrophobicContact CD1-CD1 4.37Å; L339-L342 HydrophobicContact CD2-CB 4.28Å; L339-L342 HydrophobicContact CD2-CD1 4.43Å; L339-L342 HydrophobicContact CD2-CD2 4.43Å; L342-L344 HydrophobicContact CD1-CG 4.17Å; L342-L344 HydrophobicContact CD2-CD1 3.77Å; L342-L344 HydrophobicContact CD2-CG 4.24Å; L342-L344 HydrophobicContact CG-CD1 4.16Å; L342-L344 HydrophobicContact CG-CG 4.06Å; L342-F361 HydrophobicContact CD2-CD1 4.36Å; L342-F361 HydrophobicContact CD2-CE1 3.85Å; L342-M362 HydrophobicContact CD2-SD 4.14Å; L342-L369 HydrophobicContact CB-CD1 3.81Å; L342-L369 HydrophobicContact CB-CD2 4.47Å; L342-C371 PolarHBondContact N-O 3.26Å; L342-L372 HydrophobicContact CB-CD1 4.13Å; L342-L372 HydrophobicContact CD2-CD1 4Å; L342-L372 HydrophobicContact CG-CD1 4.18Å; L342-L372 WeakPolarHBondContact O-CA 3.39Å; L342-E373 PolarHBondContact O-N 3.27Å
343	N	97.1	Very high	87	Confident	10 Å²	10	31.8 Å²	31.8	5%	0.053	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	114	170.9	-180	6.3	0	0	0	110	F109 L315 S316 L317 Q318 S345 E373	F109-N343 HydrophobicContact CD1-CB 4.34Å; F109-N343 HydrophobicContact CD2-CB 4.26Å; F109-N343 HydrophobicContact CE1-CB 3.81Å; F109-N343 HydrophobicContact CE2-CB 3.74Å; F109-N343 HydrophobicContact CZ-CB 3.5Å; L315-N343 PolarHBondContact O-N 3.11Å; S316-N343 PolarHBondContact OG-ND2 3.32Å; L317-N343 PolarHBondContact N-O 3.29Å; Q318-N343 PolarHBondContact N-O 3.47Å; Q318-N343 PolarHBondContact OE1-ND2 2.5Å; N343-S345 WeakPolarHBondContact OD1-CB 3.48Å; N343-S345 PolarHBondContact OD1-N 3.13Å; N343-S345 PolarHBondContact OD1-OG 3.19Å; N343-E373 HydrophobicContact CB-CB 3.94Å; N343-E373 PolarHBondContact OD1-O 3.35Å
344	L	95.6	Very high	86.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.198	C	C	.	.			trans	-115.2	16.4	176.1	-75.2	168.1	0	0	0	111.2	L317 L324 L329 L342 T347 F358 E373 L374 C377	L317-L344 HydrophobicContact CB-CD2 4.06Å; L317-L344 HydrophobicContact CD1-CD2 3.59Å; L317-L344 HydrophobicContact CG-CD2 4.39Å; L324-L344 HydrophobicContact CD1-CD2 4.21Å; L329-L344 HydrophobicContact CD2-CD2 4.31Å; L342-L344 HydrophobicContact CD1-CG 4.17Å; L342-L344 HydrophobicContact CD2-CD1 3.77Å; L342-L344 HydrophobicContact CD2-CG 4.24Å; L342-L344 HydrophobicContact CG-CD1 4.16Å; L342-L344 HydrophobicContact CG-CG 4.06Å; L344-T347 WeakPolarHBondContact O-CB 3.42Å; L344-T347 WeakPolarHBondContact O-CG2 3.33Å; L344-T347 PolarHBondContact O-N 3.19Å; L344-T347 PolarHBondContact O-OG1 2.55Å; L344-F358 HydrophobicContact CD1-CD2 4.18Å; L344-F358 HydrophobicContact CD1-CE2 4Å; L344-E373 PolarHBondContact N-O 3.16Å; L344-L374 HydrophobicContact CB-CD2 3.76Å; L344-L374 HydrophobicContact CD1-CD2 4.23Å; L344-C377 PolarHBondContact O-SG 2.9Å
345	S	95.1	Very high	86.5	Confident	4 Å²	4	30 Å²	30	3%	0.028	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	147.8	-178	-57.6	0	0	0	0	112.1	N343 T347 E373 S375	N343-S345 WeakPolarHBondContact OD1-CB 3.48Å; N343-S345 PolarHBondContact OD1-N 3.13Å; N343-S345 PolarHBondContact OD1-OG 3.19Å; S345-T347 PolarHBondContact O-N 3.11Å; S345-E373 PolarHBondContact N-O 2.76Å; S345-E373 PolarHBondContact OG-O 3.25Å; S345-S375 CarbonylContact C-O 3.58Å; S345-S375 VanDerWaalsContact CA-O 3.24Å; S345-S375 WeakPolarHBondContact CA-O 3.44Å; S345-S375 WeakPolarHBondContact CB-O 3.28Å; S345-S375 PolarHBondContact OG-N 3.14Å; S345-S375 VanDerWaalsContact OG-N 3.12Å
346	W	92.3	Very high	86.4	Confident	5 Å²	5	33.4 Å²	33.4	2%	0.019	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	12.1	-179	-48.4	-14.8	0	0	0	114.8	F116 Q119 Y121 Q318 W321 G348 S375	F116-W346 HydrophobicContact CE2-CZ3 4.06Å; F116-W346 HydrophobicContact CZ-CE3 4.39Å; F116-W346 HydrophobicContact CZ-CH2 4.06Å; F116-W346 AromaticContact CZ-CZ3 3.59Å; F116-W346 HydrophobicContact CZ-CZ3 3.59Å; Q119-W346 WeakPolarHBondContact O-CZ2 3.36Å; Y121-W346 HydrophobicContact CD1-CD2 4.03Å; Y121-W346 AromaticContact CD1-CE2 3.84Å; Y121-W346 HydrophobicContact CD1-CG 4.15Å; Y121-W346 HydrophobicContact CD1-CZ2 4.34Å; Y121-W346 AromaticContact CD1-NE1 3.89Å; Y121-W346 HydrophobicContact CE1-CB 4.46Å; Y121-W346 AromaticContact CE1-CD1 3.62Å; Y121-W346 HydrophobicContact CE1-CD2 4.26Å; Y121-W346 AromaticContact CE1-CG 3.88Å; Y121-W346 HydrophobicContact CE1-CG 3.88Å; Y121-W346 AromaticContact CE1-NE1 3.81Å; Q318-W346 HydrophobicContact CG-CD2 3.97Å; Q318-W346 HydrophobicContact CG-CE3 3.84Å; Q318-W346 HydrophobicContact CG-CG 4.4Å; Q318-W346 HydrophobicContact CG-CZ3 4.29Å; W321-W346 HydrophobicContact CB-CB 4.16Å; W321-W346 AromaticContact CD1-CE3 3.9Å; W321-W346 HydrophobicContact CG-CB 4.12Å; W346-G348 PolarHBondContact O-N 3.47Å; W346-S375 PolarHBondContact N-O 3.49Å
347	T	84.3	Confident	86.3	Confident	6 Å²	6	34 Å²	34	4%	0.037	21%	0.212	C	C	.	.			trans	-69.4	105.7	170.9	45	0	0	0	0	109.6	L324 L344 S345 C377 H378 F379	L324-T347 HydrophobicContact CB-CG2 4.42Å; L324-T347 HydrophobicContact CD1-CG2 3.5Å; L344-T347 WeakPolarHBondContact O-CB 3.42Å; L344-T347 WeakPolarHBondContact O-CG2 3.33Å; L344-T347 PolarHBondContact O-N 3.19Å; L344-T347 PolarHBondContact O-OG1 2.55Å; S345-T347 PolarHBondContact O-N 3.11Å; T347-C377 WeakPolarHBondContact O-CA 3.32Å; T347-C377 PolarHBondContact OG1-SG 3.34Å; T347-H378 PolarHBondContact O-N 3.46Å; T347-F379 VanDerWaalsContact OG1-CE1 3.29Å; T347-F379 WeakPolarHBondContact OG1-CE1 3.46Å
348	G	63.9	Low	86.3	Confident	35 Å²	35	31.1 Å²	31.1	36%	0.361	20%	0.195	S	C	.	.			trans	-113.5	126.8	-158.5	0	0	0	0	0	116.2	W346 R350	W346-G348 PolarHBondContact O-N 3.47Å; G348-R350 VanDerWaalsContact C-N 3.28Å; G348-R350 PolarHBondContact O-N 2.82Å
349	S	55	Low	86.2	Confident	31 Å²	31	27.8 Å²	27.8	22%	0.217	18%	0.179	C	C	.	.	S	Bend	trans	51.4	-21.8	150.5	71.8	0	0	0	0	122.2
350	R	58	Low	86.2	Confident	35 Å²	35	30.7 Å²	30.7	13%	0.132	20%	0.199	C	C	.	.	S	Bend	trans	-109.2	19.2	-172.9	-85.9	-167.8	-76.8	-145.2	0.7	116.8	C152 H154 N155 P156 V165 G348 A352	C152-R350 PolarHBondContact SG-NH2 2.77Å; H154-R350 PolarHBondContact O-NH1 2.97Å; H154-R350 PolarHBondContact O-NH2 2.9Å; N155-R350 VanDerWaalsContact C-NH1 3.26Å; P156-R350 VanDerWaalsContact CA-CZ 3.42Å; P156-R350 HydrophobicContact CB-CG 3.86Å; P156-R350 VanDerWaalsContact CB-NE 3.34Å; P156-R350 VanDerWaalsContact CD-CZ 3.44Å; P156-R350 VanDerWaalsContact CD-NH2 3.28Å; V165-R350 VanDerWaalsContact CB-NH2 3.25Å; G348-R350 VanDerWaalsContact C-N 3.28Å; G348-R350 PolarHBondContact O-N 2.82Å; R350-A352 PolarHBondContact O-N 3.4Å
351	G	56.8	Low	86.2	Confident	40 Å²	40	26 Å²	26	41%	0.412	18%	0.177	S	C	.	.	S	Bend	trans	63.2	12.2	166.1	0	0	0	0	0	115	L353 T354	G351-L353 CarbonylContact C-O 3.55Å; G351-L353 CarbonylContact O-C 3.55Å; G351-L353 PolarHBondContact O-N 3.5Å; G351-T354 WeakPolarHBondContact O-CG2 3.35Å
352	A	77.4	Confident	86.2	Confident	57 Å²	57	25.2 Å²	25.2	47%	0.471	17%	0.174	S	C	.	.	S	Bend	trans	-56.9	-39	168.6	0	0	0	0	0	109.9	L324 S325 D326 R350	L324-A352 WeakPolarHBondContact O-CB 3.42Å; S325-A352 CarbonylContact C-O 3.54Å; S325-A352 WeakPolarHBondContact CA-O 3.27Å; S325-A352 WeakPolarHBondContact CB-O 3.39Å; D326-A352 PolarHBondContact N-O 3.36Å; R350-A352 PolarHBondContact O-N 3.4Å
353	L	87.2	Confident	86.2	Confident	9 Å²	9	31.9 Å²	31.9	5%	0.047	20%	0.203	C	C	.	.	S	Bend	trans	-95.7	116.1	159.5	-176	62.1	0	0	0	109	D326 L329 G351 F358 F379	D326-L353 WeakPolarHBondContact OD1-CA 3.37Å; D326-L353 WeakPolarHBondContact OD1-CD1 3.38Å; L329-L353 HydrophobicContact CD1-CD1 3.31Å; L329-L353 HydrophobicContact CD1-CD2 4.4Å; L329-L353 HydrophobicContact CG-CD1 3.99Å; G351-L353 CarbonylContact C-O 3.55Å; G351-L353 CarbonylContact O-C 3.55Å; G351-L353 PolarHBondContact O-N 3.5Å; L353-F358 HydrophobicContact CD1-CB 4.39Å; L353-F379 HydrophobicContact CD2-CD1 4.25Å; L353-F379 HydrophobicContact CD2-CE1 3.65Å; L353-F379 HydrophobicContact CD2-CE2 4.04Å; L353-F379 HydrophobicContact CD2-CZ 3.53Å; L353-F379 HydrophobicContact CG-CD2 4.42Å; L353-F379 HydrophobicContact CG-CE1 4.41Å; L353-F379 HydrophobicContact CG-CE2 4.17Å; L353-F379 HydrophobicContact CG-CZ 4.17Å
354	T	89.1	Confident	86.2	Confident	47 Å²	47	33 Å²	33	29%	0.288	21%	0.214	S	C	.	.			trans	-99.1	168.4	179.8	76	0	0	0	0	111.2	D326 G351 T356 G357 F358	D326-T354 PolarHBondContact OD1-N 3.22Å; D326-T354 PolarHBondContact OD1-OG1 3.26Å; D326-T354 WeakPolarHBondContact OD2-CB 3.15Å; D326-T354 WeakPolarHBondContact OD2-CG2 3.28Å; D326-T354 PolarHBondContact OD2-OG1 3.36Å; G351-T354 WeakPolarHBondContact O-CG2 3.35Å; T354-T356 PolarHBondContact O-N 3.24Å; T354-T356 PolarHBondContact OG1-N 2.84Å; T354-T356 VanDerWaalsContact OG1-N 3.08Å; T354-G357 PolarHBondContact O-N 3.46Å; T354-G357 PolarHBondContact OG1-N 3.35Å; T354-F358 VanDerWaalsContact O-CB 3.3Å; T354-F358 WeakPolarHBondContact O-CB 3.18Å; T354-F358 PolarHBondContact O-N 3.28Å
355	L	90.8	Very high	86.2	Confident	54 Å²	54	36.2 Å²	36.2	28%	0.283	23%	0.226	S	C	.	.	H	α-helix	trans	-52.7	-39.1	166.8	171.8	62	0	0	0	111.6	S359 P383 C384	L355-S359 VanDerWaalsContact CD1-OG 3.28Å; L355-S359 WeakPolarHBondContact CD1-OG 3.41Å; L355-S359 WeakPolarHBondContact O-CB 3.49Å; L355-S359 PolarHBondContact O-N 3.38Å; L355-S359 PolarHBondContact O-OG 2.53Å; L355-P383 HydrophobicContact CD1-CB 3.74Å; L355-P383 HydrophobicContact CD2-CB 3.75Å; L355-P383 HydrophobicContact CD2-CG 4.17Å; L355-P383 HydrophobicContact CG-CB 4.41Å; L355-C384 HydrophobicContact CD1-CB 4.49Å; L355-C384 WeakPolarHBondContact CD1-SG 3.37Å
356	T	92.6	Very high	86.3	Confident	107 Å²	107	36 Å²	36	66%	0.656	23%	0.225	S	C	*	.	H	α-helix	trans	-68.8	-50.5	-175.6	-54.6	0	0	0	0	111.1	T354 S359 S360	T354-T356 PolarHBondContact O-N 3.24Å; T354-T356 PolarHBondContact OG1-N 2.84Å; T354-T356 VanDerWaalsContact OG1-N 3.08Å; T356-S359 PolarHBondContact O-N 2.86Å; T356-S360 VanDerWaalsContact O-CB 3.31Å; T356-S360 WeakPolarHBondContact O-CB 3.33Å; T356-S360 PolarHBondContact O-N 3.07Å
357	G	93.6	Very high	86.5	Confident	11 Å²	11	41.8 Å²	41.8	11%	0.113	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-44	177.9	0	0	0	0	0	112.3	D326 T354 F361	D326-G357 VanDerWaalsContact CG-CA 3.5Å; D326-G357 WeakPolarHBondContact OD1-CA 3.4Å; D326-G357 PolarHBondContact OD2-N 3.28Å; T354-G357 PolarHBondContact O-N 3.46Å; T354-G357 PolarHBondContact OG1-N 3.35Å; G357-F361 WeakPolarHBondContact O-CB 3.48Å; G357-F361 PolarHBondContact O-N 3.04Å; G357-F361 VanDerWaalsContact O-N 3.1Å
358	F	95	Very high	87.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-51.4	174	179.2	-102.1	0	0	0	111.5	L344 L353 T354 S360 F361 M362 L374 F379 C384 I388	L344-F358 HydrophobicContact CD1-CD2 4.18Å; L344-F358 HydrophobicContact CD1-CE2 4Å; L353-F358 HydrophobicContact CD1-CB 4.39Å; T354-F358 VanDerWaalsContact O-CB 3.3Å; T354-F358 WeakPolarHBondContact O-CB 3.18Å; T354-F358 PolarHBondContact O-N 3.28Å; F358-S360 VanDerWaalsContact C-N 3.35Å; F358-S360 PolarHBondContact O-N 2.75Å; F358-F361 PolarHBondContact O-N 3.07Å; F358-M362 HydrophobicContact CD1-CG 4.05Å; F358-M362 HydrophobicContact CD2-CG 4.07Å; F358-M362 HydrophobicContact CE1-CG 3.65Å; F358-M362 HydrophobicContact CE2-CG 3.68Å; F358-M362 HydrophobicContact CE2-SD 3.82Å; F358-M362 HydrophobicContact CG-CG 4.24Å; F358-M362 HydrophobicContact CZ-CE 4.46Å; F358-M362 HydrophobicContact CZ-CG 3.45Å; F358-M362 VanDerWaalsContact CZ-CG 3.45Å; F358-M362 HydrophobicContact CZ-SD 3.91Å; F358-M362 VanDerWaalsContact O-CG 3.28Å; F358-M362 WeakPolarHBondContact O-CG 3.38Å; F358-M362 PolarHBondContact O-N 3.06Å; F358-L374 HydrophobicContact CE2-CD2 4.42Å; F358-F379 HydrophobicContact CB-CE2 3.78Å; F358-F379 HydrophobicContact CB-CZ 4.41Å; F358-F379 HydrophobicContact CD1-CE2 4.29Å; F358-F379 AromaticContact CD2-CE2 3.91Å; F358-F379 HydrophobicContact CD2-CE2 3.91Å; F358-F379 AromaticContact CD2-CZ 3.75Å; F358-F379 HydrophobicContact CD2-CZ 3.75Å; F358-F379 HydrophobicContact CE2-CZ 4.22Å; F358-F379 AromaticContact CG-CE2 3.72Å; F358-F379 HydrophobicContact CG-CE2 3.72Å; F358-F379 HydrophobicContact CG-CZ 4.08Å; F358-C384 HydrophobicContact CD1-CB 4.05Å; F358-C384 HydrophobicContact CE1-CB 3.85Å; F358-I388 HydrophobicContact CE1-CD1 4.17Å; F358-I388 HydrophobicContact CE1-CG1 4.08Å; F358-I388 HydrophobicContact CZ-CD1 3.89Å; F358-I388 HydrophobicContact CZ-CG1 3.91Å
359	S	96.2	Very high	88.8	Confident	13 Å²	13	41.6 Å²	41.6	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-41	-177.1	-63.4	0	0	0	0	112.6	L355 T356 K363	L355-S359 VanDerWaalsContact CD1-OG 3.28Å; L355-S359 WeakPolarHBondContact CD1-OG 3.41Å; L355-S359 WeakPolarHBondContact O-CB 3.49Å; L355-S359 PolarHBondContact O-N 3.38Å; L355-S359 PolarHBondContact O-OG 2.53Å; T356-S359 PolarHBondContact O-N 2.86Å; S359-K363 WeakPolarHBondContact O-CB 3.3Å; S359-K363 VanDerWaalsContact O-CG 3.23Å; S359-K363 WeakPolarHBondContact O-CG 3.48Å; S359-K363 PolarHBondContact O-N 2.69Å
360	S	97.2	Very high	90.8	Very high	63 Å²	63	42 Å²	42	44%	0.441	25%	0.25	S	S	.	.	H	α-helix	trans	-59	-49.3	175.6	-176.4	0	0	0	0	110.9	T356 F358 K363 A364	T356-S360 VanDerWaalsContact O-CB 3.31Å; T356-S360 WeakPolarHBondContact O-CB 3.33Å; T356-S360 PolarHBondContact O-N 3.07Å; F358-S360 VanDerWaalsContact C-N 3.35Å; F358-S360 PolarHBondContact O-N 2.75Å; S360-K363 PolarHBondContact O-N 2.99Å; S360-A364 WeakPolarHBondContact O-CB 3.23Å; S360-A364 PolarHBondContact O-N 2.85Å
361	F	97.3	Very high	92.7	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-47	179.6	-172.6	-88.9	0	0	0	112.1	L329 Q333 C336 L339 L342 G357 F358 A364 R365	L329-F361 HydrophobicContact CB-CB 4.32Å; L329-F361 HydrophobicContact CB-CD2 3.88Å; L329-F361 HydrophobicContact CB-CG 4.28Å; L329-F361 HydrophobicContact CD1-CB 3.98Å; L329-F361 HydrophobicContact CD1-CG 4.15Å; L329-F361 HydrophobicContact CD2-CD2 4.4Å; Q333-F361 HydrophobicContact CB-CD2 4.15Å; Q333-F361 HydrophobicContact CB-CE2 4.37Å; Q333-F361 HydrophobicContact CG-CD2 4.39Å; C336-F361 HydrophobicContact CB-CE2 4.48Å; C336-F361 HydrophobicContact CB-CZ 4.15Å; L339-F361 HydrophobicContact CD2-CE1 3.86Å; L339-F361 HydrophobicContact CD2-CZ 3.98Å; L342-F361 HydrophobicContact CD2-CD1 4.36Å; L342-F361 HydrophobicContact CD2-CE1 3.85Å; G357-F361 WeakPolarHBondContact O-CB 3.48Å; G357-F361 PolarHBondContact O-N 3.04Å; G357-F361 VanDerWaalsContact O-N 3.1Å; F358-F361 PolarHBondContact O-N 3.07Å; F361-A364 PolarHBondContact O-N 2.88Å; F361-R365 HydrophobicContact CE1-CB 4.24Å; F361-R365 HydrophobicContact CE2-CG 4.38Å; F361-R365 HydrophobicContact CZ-CB 4.4Å; F361-R365 HydrophobicContact CZ-CG 4.35Å; F361-R365 PolarHBondContact O-N 3.46Å
362	M	97.7	Very high	94.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-64	-43.6	180	-65.7	-51.5	-66.4	0	0	111.8	L342 F358 A364 R365 G366 L369 L372 V387 I388 A391 C392	L342-M362 HydrophobicContact CD2-SD 4.14Å; F358-M362 HydrophobicContact CD1-CG 4.05Å; F358-M362 HydrophobicContact CD2-CG 4.07Å; F358-M362 HydrophobicContact CE1-CG 3.65Å; F358-M362 HydrophobicContact CE2-CG 3.68Å; F358-M362 HydrophobicContact CE2-SD 3.82Å; F358-M362 HydrophobicContact CG-CG 4.24Å; F358-M362 HydrophobicContact CZ-CE 4.46Å; F358-M362 HydrophobicContact CZ-CG 3.45Å; F358-M362 VanDerWaalsContact CZ-CG 3.45Å; F358-M362 HydrophobicContact CZ-SD 3.91Å; F358-M362 VanDerWaalsContact O-CG 3.28Å; F358-M362 WeakPolarHBondContact O-CG 3.38Å; F358-M362 PolarHBondContact O-N 3.06Å; M362-A364 VanDerWaalsContact C-N 3.28Å; M362-A364 PolarHBondContact O-N 2.72Å; M362-R365 PolarHBondContact O-N 2.9Å; M362-G366 VanDerWaalsContact O-CA 3.24Å; M362-G366 WeakPolarHBondContact O-CA 3.4Å; M362-G366 PolarHBondContact O-N 2.89Å; M362-L369 HydrophobicContact CE-CD2 3.82Å; M362-L372 HydrophobicContact CE-CD2 3.83Å; M362-V387 HydrophobicContact CB-CG1 3.79Å; M362-I388 HydrophobicContact CE-CG1 4.3Å; M362-A391 WeakPolarHBondContact O-CB 3.33Å; M362-C392 WeakPolarHBondContact CE-SG 3.37Å
363	K	97.4	Very high	95.7	Very high	141 Å²	141	36.3 Å²	36.3	61%	0.613	21%	0.205	S	C	*	.	H	α-helix	trans	-62.4	-36.2	175.7	-73.1	174	-179.2	-179.1	0	112.1	S359 S360 V387	S359-K363 WeakPolarHBondContact O-CB 3.3Å; S359-K363 VanDerWaalsContact O-CG 3.23Å; S359-K363 WeakPolarHBondContact O-CG 3.48Å; S359-K363 PolarHBondContact O-N 2.69Å; S360-K363 PolarHBondContact O-N 2.99Å; K363-V387 HydrophobicContact CG-CG1 4.07Å
364	A	97.1	Very high	96.1	Very high	34 Å²	34	35.9 Å²	35.9	28%	0.281	20%	0.202	S	C	.	.	H	α-helix	trans	-77.4	-35.6	-179.9	0	0	0	0	0	113.5	Q333 S360 F361 M362	Q333-A364 HydrophobicContact CG-CB 3.89Å; S360-A364 WeakPolarHBondContact O-CB 3.23Å; S360-A364 PolarHBondContact O-N 2.85Å; F361-A364 PolarHBondContact O-N 2.88Å; M362-A364 VanDerWaalsContact C-N 3.28Å; M362-A364 PolarHBondContact O-N 2.72Å
365	R	96.9	Very high	96.4	Very high	66 Å²	66	34.4 Å²	34.4	25%	0.249	19%	0.194	C	C	.	.	H	α-helix	trans	-125.8	0.4	-166.6	-54.4	-62	132.3	-146.5	1.2	115.3	Q333 C336 L339 F361 M362	Q333-R365 HydrophobicContact CG-CG 4.16Å; Q333-R365 VanDerWaalsContact O-CD 3.23Å; Q333-R365 WeakPolarHBondContact O-CD 3.3Å; Q333-R365 PolarHBondContact O-NE 3.42Å; C336-R365 HydrophobicContact CB-CG 4.04Å; C336-R365 WeakPolarHBondContact O-CD 3.25Å; L339-R365 HydrophobicContact CD2-CB 4.42Å; F361-R365 HydrophobicContact CE1-CB 4.24Å; F361-R365 HydrophobicContact CE2-CG 4.38Å; F361-R365 HydrophobicContact CZ-CB 4.4Å; F361-R365 HydrophobicContact CZ-CG 4.35Å; F361-R365 PolarHBondContact O-N 3.46Å; M362-R365 PolarHBondContact O-N 2.9Å
366	G	96.6	Very high	96.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	18%	0.18	C	C	.	.			trans	-76.6	-20.1	-175.7	0	0	0	0	0	115.6	M362 S368 L369 A391 C392	M362-G366 VanDerWaalsContact O-CA 3.24Å; M362-G366 WeakPolarHBondContact O-CA 3.4Å; M362-G366 PolarHBondContact O-N 2.89Å; G366-S368 VanDerWaalsContact C-N 3.27Å; G366-S368 PolarHBondContact O-N 2.67Å; G366-S368 VanDerWaalsContact O-N 3.14Å; G366-L369 VanDerWaalsContact O-CB 3.22Å; G366-L369 WeakPolarHBondContact O-CB 3.3Å; G366-L369 PolarHBondContact O-N 2.6Å; G366-A391 CarbonylContact C-O 3.55Å; G366-C392 WeakPolarHBondContact O-CA 3.45Å
367	L	97.3	Very high	96.6	Very high	125 Å²	125	26.8 Å²	26.8	65%	0.654	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-35.3	-168.2	-176.2	64.8	0	0	0	114.1	A391 P393	L367-A391 WeakPolarHBondContact CA-O 3.37Å; L367-A391 PolarHBondContact N-O 3.32Å; L367-P393 HydrophobicContact CD1-CG 3.99Å
368	S	96.8	Very high	96.2	Very high	36 Å²	36	26.8 Å²	26.8	25%	0.252	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	2.5	178.9	51.3	0	0	0	0	113.8	L339 G366 V370	L339-S368 CarbonylContact O-C 3.59Å; L339-S368 PolarHBondContact O-OG 2.62Å; G366-S368 VanDerWaalsContact C-N 3.27Å; G366-S368 PolarHBondContact O-N 2.67Å; G366-S368 VanDerWaalsContact O-N 3.14Å; S368-V370 PolarHBondContact O-N 3.5Å
369	L	98.1	Very high	95.9	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.152	C	C	.	.			trans	-70.9	127.6	-173.8	-161	73.5	0	0	0	110.8	L339 L342 M362 G366 L372 K394 L395	L339-L369 HydrophobicContact CD2-CD1 4.18Å; L339-L369 HydrophobicContact CG-CD1 3.94Å; L342-L369 HydrophobicContact CB-CD1 3.81Å; L342-L369 HydrophobicContact CB-CD2 4.47Å; M362-L369 HydrophobicContact CE-CD2 3.82Å; G366-L369 VanDerWaalsContact O-CB 3.22Å; G366-L369 WeakPolarHBondContact O-CB 3.3Å; G366-L369 PolarHBondContact O-N 2.6Å; L369-L372 HydrophobicContact CD2-CB 3.91Å; L369-L372 HydrophobicContact CD2-CD1 4.13Å; L369-L372 HydrophobicContact CD2-CD2 4.19Å; L369-L372 HydrophobicContact CD2-CG 4.29Å; L369-K394 CarbonylContact O-C 3.52Å; L369-L395 HydrophobicContact CB-CD1 4.48Å; L369-L395 HydrophobicContact CD2-CD1 4.11Å; L369-L395 HydrophobicContact CG-CD1 4.1Å; L369-L395 WeakPolarHBondContact O-CA 3.43Å; L369-L395 PolarHBondContact O-N 2.93Å
370	V	97.9	Very high	95.6	Very high	39 Å²	39	27.7 Å²	27.7	24%	0.236	15%	0.149	C	C	.	.			trans	-108.6	-33.9	-179.8	179.7	0	0	0	0	110.8	Q340 S368 Q396 E397	Q340-V370 PolarHBondContact O-N 3.45Å; S368-V370 PolarHBondContact O-N 3.5Å; V370-Q396 HydrophobicContact CG1-CB 3.9Å; V370-Q396 HydrophobicContact CG1-CG 3.94Å; V370-Q396 PolarHBondContact O-N 2.96Å; V370-E397 PolarHBondContact O-N 3.48Å
371	C	98.3	Very high	95.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	128	-177.4	176.7	0	0	0	0	110.8	Q340 R341 L342 E397	Q340-C371 PolarHBondContact O-N 3.06Å; Q340-C371 VanDerWaalsContact O-N 3.09Å; R341-C371 WeakPolarHBondContact CA-O 3.37Å; R341-C371 HydrophobicContact CB-CB 4.05Å; R341-C371 HydrophobicContact CG-CB 3.87Å; L342-C371 PolarHBondContact N-O 3.26Å; C371-E397 HydrophobicContact CB-CB 4.13Å; C371-E397 PolarHBondContact SG-OE2 2.93Å
372	L	98.3	Very high	95.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	109.6	178	-177.5	54.3	0	0	0	110.4	L342 M362 L369 L374 I388 L395 E397 L398 N399	L342-L372 HydrophobicContact CB-CD1 4.13Å; L342-L372 HydrophobicContact CD2-CD1 4Å; L342-L372 HydrophobicContact CG-CD1 4.18Å; L342-L372 WeakPolarHBondContact O-CA 3.39Å; M362-L372 HydrophobicContact CE-CD2 3.83Å; L369-L372 HydrophobicContact CD2-CB 3.91Å; L369-L372 HydrophobicContact CD2-CD1 4.13Å; L369-L372 HydrophobicContact CD2-CD2 4.19Å; L369-L372 HydrophobicContact CD2-CG 4.29Å; L372-L374 HydrophobicContact CD1-CD1 4.19Å; L372-L374 HydrophobicContact CD1-CD2 4.03Å; L372-L374 HydrophobicContact CD1-CG 3.93Å; L372-L374 HydrophobicContact CD2-CD1 3.81Å; L372-L374 HydrophobicContact CD2-CG 4.42Å; L372-L374 HydrophobicContact CG-CD1 3.78Å; L372-L374 HydrophobicContact CG-CD2 4.47Å; L372-L374 HydrophobicContact CG-CG 3.84Å; L372-I388 HydrophobicContact CD2-CD1 3.92Å; L372-I388 HydrophobicContact CD2-CG1 3.9Å; L372-I388 HydrophobicContact CD2-CG2 4.04Å; L372-L395 HydrophobicContact CB-CD1 3.77Å; L372-L395 HydrophobicContact CB-CD2 4.24Å; L372-E397 PolarHBondContact N-O 3.26Å; L372-L398 HydrophobicContact CB-CD1 4.22Å; L372-L398 HydrophobicContact CD2-CD1 4.21Å; L372-L398 HydrophobicContact CG-CD1 4.2Å; L372-L398 WeakPolarHBondContact O-CA 3.45Å; L372-N399 PolarHBondContact O-N 2.79Å
373	E	97.8	Very high	95.1	Very high	12 Å²	12	33.5 Å²	33.5	6%	0.056	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.9	177.8	-65	-73.2	147.4	0	0	109.8	F109 L342 N343 L344 S345 N399 R422	F109-E373 HydrophobicContact CE2-CG 4.17Å; F109-E373 HydrophobicContact CZ-CG 4.37Å; L342-E373 PolarHBondContact O-N 3.27Å; N343-E373 HydrophobicContact CB-CB 3.94Å; N343-E373 PolarHBondContact OD1-O 3.35Å; L344-E373 PolarHBondContact N-O 3.16Å; S345-E373 PolarHBondContact N-O 2.76Å; S345-E373 PolarHBondContact OG-O 3.25Å; E373-N399 WeakPolarHBondContact OE2-CB 3.46Å; E373-N399 VanDerWaalsContact OE2-CG 3.31Å; E373-N399 PolarHBondContact OE2-ND2 2.73Å; E373-R422 IonicContact OE1-CZ 2.93Å; E373-R422 VanDerWaalsContact OE1-CZ 3.3Å; E373-R422 IonicContact OE1-NH1 3.01Å; E373-R422 PolarHBondContact OE1-NH1 3.25Å; E373-R422 IonicContact OE1-NH2 3.02Å; E373-R422 PolarHBondContact OE1-NH2 3.22Å; E373-R422 IonicContact OE2-NH2 3.85Å
374	L	96.9	Very high	95	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.			trans	-131.1	34.3	-175.9	-63.2	171.1	0	0	0	111.7	L344 F358 L372 C376 C377 L380 I388 L398 N399 L400 C403	L344-L374 HydrophobicContact CB-CD2 3.76Å; L344-L374 HydrophobicContact CD1-CD2 4.23Å; F358-L374 HydrophobicContact CE2-CD2 4.42Å; L372-L374 HydrophobicContact CD1-CD1 4.19Å; L372-L374 HydrophobicContact CD1-CD2 4.03Å; L372-L374 HydrophobicContact CD1-CG 3.93Å; L372-L374 HydrophobicContact CD2-CD1 3.81Å; L372-L374 HydrophobicContact CD2-CG 4.42Å; L372-L374 HydrophobicContact CG-CD1 3.78Å; L372-L374 HydrophobicContact CG-CD2 4.47Å; L372-L374 HydrophobicContact CG-CG 3.84Å; L374-C376 PolarHBondContact O-N 2.91Å; L374-C377 VanDerWaalsContact CA-SG 3.51Å; L374-C377 HydrophobicContact CB-CB 4.28Å; L374-C377 WeakPolarHBondContact O-CB 3.45Å; L374-C377 PolarHBondContact O-N 3.41Å; L374-C377 PolarHBondContact O-SG 3.46Å; L374-L380 HydrophobicContact CB-CD1 4.04Å; L374-L380 HydrophobicContact CD1-CD1 4.1Å; L374-L380 HydrophobicContact CD1-CD2 4.28Å; L374-I388 HydrophobicContact CD1-CD1 3.81Å; L374-L398 HydrophobicContact CD1-CD1 4.45Å; L374-N399 CarbonylContact C-O 3.59Å; L374-N399 WeakPolarHBondContact CA-O 3.41Å; L374-N399 WeakPolarHBondContact CB-O 3.43Å; L374-N399 PolarHBondContact N-O 3.02Å; L374-L400 HydrophobicContact CB-CD2 4.13Å; L374-L400 HydrophobicContact CD1-CD2 4.03Å; L374-C403 PolarHBondContact O-SG 2.67Å
375	S	95.4	Very high	95	Very high	15 Å²	15	25.3 Å²	25.3	11%	0.105	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	134.5	179.2	179.5	0	0	0	0	110.9	S345 W346 C377 S401	S345-S375 CarbonylContact C-O 3.58Å; S345-S375 VanDerWaalsContact CA-O 3.24Å; S345-S375 WeakPolarHBondContact CA-O 3.44Å; S345-S375 WeakPolarHBondContact CB-O 3.28Å; S345-S375 PolarHBondContact OG-N 3.14Å; S345-S375 VanDerWaalsContact OG-N 3.12Å; W346-S375 PolarHBondContact N-O 3.49Å; S375-C377 PolarHBondContact O-N 2.63Å; S375-S401 CarbonylContact C-O 3.59Å; S375-S401 WeakPolarHBondContact CA-O 3.21Å; S375-S401 WeakPolarHBondContact CB-OG 3.42Å; S375-S401 PolarHBondContact OG-OG 2.85Å
376	C	94.1	Very high	95	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	36.6	178.9	-41.3	0	0	0	0	113.7	S57 Y121 L374 H378 S401	S57-C376 VanDerWaalsContact CA-SG 3.59Å; Y121-C376 HydrophobicContact CE1-CB 3.96Å; Y121-C376 VanDerWaalsContact OH-CB 3.25Å; Y121-C376 WeakPolarHBondContact OH-CB 3.4Å; L374-C376 PolarHBondContact O-N 2.91Å; C376-H378 PolarHBondContact O-N 3.06Å; C376-S401 PolarHBondContact N-O 3.49Å
377	C	92.3	Very high	95.1	Very high	1 Å²	1	26 Å²	26	1%	0.007	14%	0.14	C	C	.	.			trans	-90.2	88.9	177.7	-69.9	0	0	0	0	111.4	L344 T347 L374 S375 F379 L380	L344-C377 PolarHBondContact O-SG 2.9Å; T347-C377 WeakPolarHBondContact O-CA 3.32Å; T347-C377 PolarHBondContact OG1-SG 3.34Å; L374-C377 VanDerWaalsContact CA-SG 3.51Å; L374-C377 HydrophobicContact CB-CB 4.28Å; L374-C377 WeakPolarHBondContact O-CB 3.45Å; L374-C377 PolarHBondContact O-N 3.41Å; L374-C377 PolarHBondContact O-SG 3.46Å; S375-C377 PolarHBondContact O-N 2.63Å; C377-F379 VanDerWaalsContact C-N 3.25Å; C377-F379 HydrophobicContact CB-CD1 4.21Å; C377-F379 HydrophobicContact CB-CE1 3.89Å; C377-F379 PolarHBondContact O-N 3.42Å; C377-L380 HydrophobicContact CB-CD1 3.65Å; C377-L380 HydrophobicContact CB-CG 3.76Å; C377-L380 WeakPolarHBondContact O-CB 3.49Å; C377-L380 WeakPolarHBondContact O-CG 3.36Å; C377-L380 PolarHBondContact O-N 2.98Å
378	H	85.9	Confident	95.1	Very high	12 Å²	12	20.1 Å²	20.1	6%	0.056	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-9.1	-173.3	-65.9	-56.7	0	0	0	115.4	D55 T347 C376 L380 D404 R405	D55-H378 VanDerWaalsContact CG-NE2 3.27Å; D55-H378 IonicContact OD1-CE1 2.73Å; D55-H378 IonicContact OD1-NE2 3.77Å; D55-H378 PolarHBondContact OD1-NE2 3.07Å; D55-H378 IonicContact OD2-CD2 2.73Å; D55-H378 PolarHBondContact OD2-CD2 2.99Å; D55-H378 IonicContact OD2-CE1 2.81Å; D55-H378 IonicContact OD2-NE2 2.79Å; D55-H378 PolarHBondContact OD2-NE2 3.33Å; T347-H378 PolarHBondContact O-N 3.46Å; C376-H378 PolarHBondContact O-N 3.06Å; H378-L380 VanDerWaalsContact C-N 3.31Å; H378-D404 IonicContact CE1-OD1 2.87Å; H378-D404 IonicContact ND1-OD1 3.13Å; H378-D404 PolarHBondContact ND1-OD1 3.02Å; H378-R405 WeakPolarHBondContact O-CD 3.22Å
379	F	87.6	Confident	95.2	Very high	26 Å²	26	19 Å²	19	11%	0.114	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-12.1	174	79.1	-84.4	0	0	0	112.9	T347 L353 F358 C377	T347-F379 VanDerWaalsContact OG1-CE1 3.29Å; T347-F379 WeakPolarHBondContact OG1-CE1 3.46Å; L353-F379 HydrophobicContact CD2-CD1 4.25Å; L353-F379 HydrophobicContact CD2-CE1 3.65Å; L353-F379 HydrophobicContact CD2-CE2 4.04Å; L353-F379 HydrophobicContact CD2-CZ 3.53Å; L353-F379 HydrophobicContact CG-CD2 4.42Å; L353-F379 HydrophobicContact CG-CE1 4.41Å; L353-F379 HydrophobicContact CG-CE2 4.17Å; L353-F379 HydrophobicContact CG-CZ 4.17Å; F358-F379 HydrophobicContact CB-CE2 3.78Å; F358-F379 HydrophobicContact CB-CZ 4.41Å; F358-F379 HydrophobicContact CD1-CE2 4.29Å; F358-F379 AromaticContact CD2-CE2 3.91Å; F358-F379 HydrophobicContact CD2-CE2 3.91Å; F358-F379 AromaticContact CD2-CZ 3.75Å; F358-F379 HydrophobicContact CD2-CZ 3.75Å; F358-F379 HydrophobicContact CE2-CZ 4.22Å; F358-F379 AromaticContact CG-CE2 3.72Å; F358-F379 HydrophobicContact CG-CE2 3.72Å; F358-F379 HydrophobicContact CG-CZ 4.08Å; C377-F379 VanDerWaalsContact C-N 3.25Å; C377-F379 HydrophobicContact CB-CD1 4.21Å; C377-F379 HydrophobicContact CB-CE1 3.89Å; C377-F379 PolarHBondContact O-N 3.42Å
380	L	91.2	Very high	95.1	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.031	13%	0.126	C	C	.	.			trans	-66.7	136.9	-176.9	-66.1	177.4	0	0	0	111.7	L374 C377 H378 C384 L400 L406	L374-L380 HydrophobicContact CB-CD1 4.04Å; L374-L380 HydrophobicContact CD1-CD1 4.1Å; L374-L380 HydrophobicContact CD1-CD2 4.28Å; C377-L380 HydrophobicContact CB-CD1 3.65Å; C377-L380 HydrophobicContact CB-CG 3.76Å; C377-L380 WeakPolarHBondContact O-CB 3.49Å; C377-L380 WeakPolarHBondContact O-CG 3.36Å; C377-L380 PolarHBondContact O-N 2.98Å; H378-L380 VanDerWaalsContact C-N 3.31Å; L380-C384 HydrophobicContact CD2-CB 3.8Å; L380-L400 HydrophobicContact CD1-CD2 3.87Å; L380-L406 HydrophobicContact CB-CD1 4.44Å; L380-L406 HydrophobicContact CB-CD2 3.8Å; L380-L406 HydrophobicContact CB-CG 4.07Å; L380-L406 HydrophobicContact CD1-CD1 4.43Å
381	N	91.6	Very high	95.1	Very high	55 Å²	55	23.2 Å²	23.2	29%	0.294	12%	0.122	S	C	.	.			trans	-137	-178.6	174.8	58.2	34.2	0	0	0	109.8	P383 C384 L385	N381-P383 VanDerWaalsContact OD1-CD 3.24Å; N381-P383 WeakPolarHBondContact OD1-CD 3.46Å; N381-C384 WeakPolarHBondContact O-CB 3.44Å; N381-C384 PolarHBondContact O-N 3.42Å; N381-C384 VanDerWaalsContact O-N 3.17Å; N381-C384 PolarHBondContact OD1-N 3.43Å; N381-C384 VanDerWaalsContact OD1-N 3.1Å; N381-C384 PolarHBondContact OD1-SG 3.33Å; N381-C384 VanDerWaalsContact OD1-SG 3.34Å; N381-L385 PolarHBondContact O-N 2.83Å
382	E	94	Very high	95.1	Very high	80 Å²	80	23.1 Å²	23.1	37%	0.374	12%	0.121	S	C	.	.	H	α-helix	trans	-56.3	-50	179.7	172.4	179.5	-157	0	0	113.6	C384 L385 E386 A410	E382-C384 PolarHBondContact O-N 3.02Å; E382-L385 PolarHBondContact O-N 3.33Å; E382-E386 PolarHBondContact O-N 3.18Å; E382-A410 HydrophobicContact CB-CB 3.76Å; E382-A410 HydrophobicContact CG-CB 4.12Å
383	P	95.6	Very high	95	Very high	51 Å²	51	26 Å²	26	33%	0.331	14%	0.14	S	C	.	.	H	α-helix	trans	-53.9	-34.6	174	-30	34	0	0	0	114.8	L355 N381 L385 E386 V387	L355-P383 HydrophobicContact CD1-CB 3.74Å; L355-P383 HydrophobicContact CD2-CB 3.75Å; L355-P383 HydrophobicContact CD2-CG 4.17Å; L355-P383 HydrophobicContact CG-CB 4.41Å; N381-P383 VanDerWaalsContact OD1-CD 3.24Å; N381-P383 WeakPolarHBondContact OD1-CD 3.46Å; P383-L385 PolarHBondContact O-N 2.91Å; P383-E386 PolarHBondContact O-N 3.46Å; P383-V387 WeakPolarHBondContact O-CG2 3.47Å; P383-V387 PolarHBondContact O-N 3.34Å
384	C	95.4	Very high	95	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-44.7	174.9	-67.9	0	0	0	0	111.7	L355 F358 L380 N381 E382 V387 I388	L355-C384 HydrophobicContact CD1-CB 4.49Å; L355-C384 WeakPolarHBondContact CD1-SG 3.37Å; F358-C384 HydrophobicContact CD1-CB 4.05Å; F358-C384 HydrophobicContact CE1-CB 3.85Å; L380-C384 HydrophobicContact CD2-CB 3.8Å; N381-C384 WeakPolarHBondContact O-CB 3.44Å; N381-C384 PolarHBondContact O-N 3.42Å; N381-C384 VanDerWaalsContact O-N 3.17Å; N381-C384 PolarHBondContact OD1-N 3.43Å; N381-C384 VanDerWaalsContact OD1-N 3.1Å; N381-C384 PolarHBondContact OD1-SG 3.33Å; N381-C384 VanDerWaalsContact OD1-SG 3.34Å; E382-C384 PolarHBondContact O-N 3.02Å; C384-V387 PolarHBondContact O-N 3.42Å; C384-I388 WeakPolarHBondContact O-CD1 3.38Å; C384-I388 VanDerWaalsContact O-CG1 3.28Å; C384-I388 WeakPolarHBondContact O-CG1 3.44Å; C384-I388 PolarHBondContact O-N 3.13Å
385	L	96.9	Very high	95.1	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-70.9	-34.4	179	-80.9	176	0	0	0	112.5	N381 E382 P383 I388 A389 L400 L406 A410 H413 I414	N381-L385 PolarHBondContact O-N 2.83Å; E382-L385 PolarHBondContact O-N 3.33Å; P383-L385 PolarHBondContact O-N 2.91Å; L385-I388 HydrophobicContact CD2-CD1 3.99Å; L385-I388 PolarHBondContact O-N 2.86Å; L385-A389 WeakPolarHBondContact O-CB 3.2Å; L385-A389 PolarHBondContact O-N 2.91Å; L385-L400 HydrophobicContact CD1-CD1 4.48Å; L385-L400 HydrophobicContact CD2-CD1 3.89Å; L385-L400 HydrophobicContact CD2-CD2 4.29Å; L385-L406 HydrophobicContact CD1-CD1 3.92Å; L385-L406 HydrophobicContact CD1-CD2 3.94Å; L385-L406 HydrophobicContact CG-CD2 4.37Å; L385-A410 HydrophobicContact CD1-CB 3.71Å; L385-H413 HydrophobicContact CB-CB 4.4Å; L385-I414 HydrophobicContact CD2-CG1 4.38Å
386	E	97.1	Very high	95.2	Very high	74 Å²	74	33.2 Å²	33.2	35%	0.346	17%	0.17	S	C	.	.	H	α-helix	trans	-59.9	-47.2	171.1	-174	-179.7	-166.9	0	0	111.2	E382 P383 I388 A389 Q390	E382-E386 PolarHBondContact O-N 3.18Å; P383-E386 PolarHBondContact O-N 3.46Å; E386-I388 PolarHBondContact O-N 3.36Å; E386-A389 PolarHBondContact O-N 3.1Å; E386-Q390 WeakPolarHBondContact O-CG 3.36Å; E386-Q390 PolarHBondContact O-N 3.17Å; E386-Q390 PolarHBondContact OE1-NE2 3.12Å
387	V	98.1	Very high	95.4	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.055	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-40.8	178.1	171.3	0	0	0	0	111.5	M362 K363 P383 C384 A389 Q390 A391	M362-V387 HydrophobicContact CB-CG1 3.79Å; K363-V387 HydrophobicContact CG-CG1 4.07Å; P383-V387 WeakPolarHBondContact O-CG2 3.47Å; P383-V387 PolarHBondContact O-N 3.34Å; C384-V387 PolarHBondContact O-N 3.42Å; V387-A389 VanDerWaalsContact C-N 3.33Å; V387-A389 PolarHBondContact O-N 2.89Å; V387-Q390 PolarHBondContact O-N 2.52Å; V387-A391 HydrophobicContact CG1-CB 4.43Å; V387-A391 WeakPolarHBondContact O-CB 3.32Å; V387-A391 PolarHBondContact O-N 3.18Å
388	I	98.3	Very high	95.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-57.8	-49	174.2	-69.6	160.6	0	0	0	110	F358 M362 L372 L374 C384 L385 E386 Q390 A391 C392 L395 L417	F358-I388 HydrophobicContact CE1-CD1 4.17Å; F358-I388 HydrophobicContact CE1-CG1 4.08Å; F358-I388 HydrophobicContact CZ-CD1 3.89Å; F358-I388 HydrophobicContact CZ-CG1 3.91Å; M362-I388 HydrophobicContact CE-CG1 4.3Å; L372-I388 HydrophobicContact CD2-CD1 3.92Å; L372-I388 HydrophobicContact CD2-CG1 3.9Å; L372-I388 HydrophobicContact CD2-CG2 4.04Å; L374-I388 HydrophobicContact CD1-CD1 3.81Å; C384-I388 WeakPolarHBondContact O-CD1 3.38Å; C384-I388 VanDerWaalsContact O-CG1 3.28Å; C384-I388 WeakPolarHBondContact O-CG1 3.44Å; C384-I388 PolarHBondContact O-N 3.13Å; L385-I388 HydrophobicContact CD2-CD1 3.99Å; L385-I388 PolarHBondContact O-N 2.86Å; E386-I388 PolarHBondContact O-N 3.36Å; I388-Q390 VanDerWaalsContact C-N 3.3Å; I388-Q390 PolarHBondContact O-N 2.85Å; I388-A391 PolarHBondContact O-N 3.35Å; I388-C392 VanDerWaalsContact O-CB 3.28Å; I388-C392 WeakPolarHBondContact O-CB 3.48Å; I388-C392 PolarHBondContact O-N 2.98Å; I388-L395 HydrophobicContact CG2-CD2 4.04Å; I388-L417 HydrophobicContact CG2-CD1 4.47Å
389	A	97.5	Very high	96.3	Very high	11 Å²	11	35.3 Å²	35.3	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-35.1	-179.5	0	0	0	0	0	113.4	L385 E386 V387 H413 K416	L385-A389 WeakPolarHBondContact O-CB 3.2Å; L385-A389 PolarHBondContact O-N 2.91Å; E386-A389 PolarHBondContact O-N 3.1Å; V387-A389 VanDerWaalsContact C-N 3.33Å; V387-A389 PolarHBondContact O-N 2.89Å; A389-H413 HydrophobicContact CB-CB 4.04Å; A389-H413 WeakPolarHBondContact CB-O 3.14Å; A389-K416 HydrophobicContact CB-CB 4.18Å; A389-K416 HydrophobicContact CB-CD 4.21Å
390	Q	97.3	Very high	96.7	Very high	114 Å²	114	34 Å²	34	53%	0.533	18%	0.175	S	C	.	.	H	α-helix	trans	-81.5	-39.7	178.6	-69	174.8	5.4	0	0	112.9	E386 V387 I388	E386-Q390 WeakPolarHBondContact O-CG 3.36Å; E386-Q390 PolarHBondContact O-N 3.17Å; E386-Q390 PolarHBondContact OE1-NE2 3.12Å; V387-Q390 PolarHBondContact O-N 2.52Å; I388-Q390 VanDerWaalsContact C-N 3.3Å; I388-Q390 PolarHBondContact O-N 2.85Å
391	A	97.9	Very high	97	Very high	16 Å²	16	34.4 Å²	34.4	13%	0.132	18%	0.177	C	C	.	.	H	α-helix	trans	-90.8	-19.7	-170.4	0	0	0	0	0	113.9	M362 G366 L367 V387 I388 P393	M362-A391 WeakPolarHBondContact O-CB 3.33Å; G366-A391 CarbonylContact C-O 3.55Å; L367-A391 WeakPolarHBondContact CA-O 3.37Å; L367-A391 PolarHBondContact N-O 3.32Å; V387-A391 HydrophobicContact CG1-CB 4.43Å; V387-A391 WeakPolarHBondContact O-CB 3.32Å; V387-A391 PolarHBondContact O-N 3.18Å; I388-A391 PolarHBondContact O-N 3.35Å; A391-P393 VanDerWaalsContact O-CD 3.23Å; A391-P393 WeakPolarHBondContact O-CD 3.39Å
392	C	98.1	Very high	97.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.			trans	-119.1	61.9	-172.8	-49.8	0	0	0	0	112.8	M362 G366 I388 K394 L395 L417	M362-C392 WeakPolarHBondContact CE-SG 3.37Å; G366-C392 WeakPolarHBondContact O-CA 3.45Å; I388-C392 VanDerWaalsContact O-CB 3.28Å; I388-C392 WeakPolarHBondContact O-CB 3.48Å; I388-C392 PolarHBondContact O-N 2.98Å; C392-K394 PolarHBondContact O-N 3.45Å; C392-K394 VanDerWaalsContact O-N 3.16Å; C392-L395 HydrophobicContact CB-CB 4.08Å; C392-L395 WeakPolarHBondContact O-CB 3.13Å; C392-L395 PolarHBondContact O-N 3.03Å; C392-L417 WeakPolarHBondContact O-CD2 3.2Å
393	P	96.4	Very high	97	Very high	60 Å²	60	28 Å²	28	39%	0.39	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.8	-175.6	28.4	-36.3	0	0	0	114	L367 A391	L367-P393 HydrophobicContact CD1-CG 3.99Å; A391-P393 VanDerWaalsContact O-CD 3.23Å; A391-P393 WeakPolarHBondContact O-CD 3.39Å
394	K	97.3	Very high	96.4	Very high	123 Å²	123	27.8 Å²	27.8	54%	0.535	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	7.5	179.8	-64.7	-175.4	179.5	179.8	0	113.7	L369 C392 Q396	L369-K394 CarbonylContact O-C 3.52Å; C392-K394 PolarHBondContact O-N 3.45Å; C392-K394 VanDerWaalsContact O-N 3.16Å; K394-Q396 PolarHBondContact O-N 2.82Å
395	L	98.4	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.			trans	-65.9	127	-174.1	-162.7	70.5	0	0	0	110.9	L369 L372 I388 C392 L398 L417 H419	L369-L395 HydrophobicContact CB-CD1 4.48Å; L369-L395 HydrophobicContact CD2-CD1 4.11Å; L369-L395 HydrophobicContact CG-CD1 4.1Å; L369-L395 WeakPolarHBondContact O-CA 3.43Å; L369-L395 PolarHBondContact O-N 2.93Å; L372-L395 HydrophobicContact CB-CD1 3.77Å; L372-L395 HydrophobicContact CB-CD2 4.24Å; I388-L395 HydrophobicContact CG2-CD2 4.04Å; C392-L395 HydrophobicContact CB-CB 4.08Å; C392-L395 WeakPolarHBondContact O-CB 3.13Å; C392-L395 PolarHBondContact O-N 3.03Å; L395-L398 HydrophobicContact CD2-CB 4.11Å; L395-L398 HydrophobicContact CD2-CD1 4.27Å; L395-L417 HydrophobicContact CB-CD2 4.21Å; L395-L417 HydrophobicContact CD2-CD1 3.95Å; L395-H419 CarbonylContact O-C 3.55Å
396	Q	98.1	Very high	95.6	Very high	55 Å²	55	34 Å²	34	26%	0.257	17%	0.165	S	C	.	.			trans	-112.4	-27.8	179.4	-63	179.4	30.4	0	0	112	V370 K394 R421 R422	V370-Q396 HydrophobicContact CG1-CB 3.9Å; V370-Q396 HydrophobicContact CG1-CG 3.94Å; V370-Q396 PolarHBondContact O-N 2.96Å; K394-Q396 PolarHBondContact O-N 2.82Å; Q396-R421 HydrophobicContact CB-CB 4.47Å; Q396-R421 HydrophobicContact CB-CG 4.46Å; Q396-R421 WeakPolarHBondContact O-CA 3.16Å; Q396-R421 PolarHBondContact O-N 3.05Å; Q396-R422 PolarHBondContact O-N 2.82Å
397	E	98.4	Very high	95.2	Very high	42 Å²	42	35.4 Å²	35.4	20%	0.196	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.4	-178.2	-50.3	178.6	179.1	0	0	110.1	V370 C371 L372 R422	V370-E397 PolarHBondContact O-N 3.48Å; C371-E397 HydrophobicContact CB-CB 4.13Å; C371-E397 PolarHBondContact SG-OE2 2.93Å; L372-E397 PolarHBondContact N-O 3.26Å; E397-R422 WeakPolarHBondContact CA-O 3.37Å; E397-R422 HydrophobicContact CB-CB 4.22Å; E397-R422 HydrophobicContact CG-CB 4.05Å
398	L	98.5	Very high	95	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.3	176.6	179.7	59.4	0	0	0	110.1	L372 L374 L395 L400 I414 L417 L420 R422 L423 V424	L372-L398 HydrophobicContact CB-CD1 4.22Å; L372-L398 HydrophobicContact CD2-CD1 4.21Å; L372-L398 HydrophobicContact CG-CD1 4.2Å; L372-L398 WeakPolarHBondContact O-CA 3.45Å; L374-L398 HydrophobicContact CD1-CD1 4.45Å; L395-L398 HydrophobicContact CD2-CB 4.11Å; L395-L398 HydrophobicContact CD2-CD1 4.27Å; L398-L400 HydrophobicContact CD1-CD2 4.21Å; L398-L400 HydrophobicContact CD1-CG 4.14Å; L398-L400 HydrophobicContact CD2-CD1 3.99Å; L398-L400 HydrophobicContact CD2-CG 4.37Å; L398-L400 HydrophobicContact CG-CD1 4.2Å; L398-L400 HydrophobicContact CG-CG 4.05Å; L398-I414 HydrophobicContact CD2-CD1 4.32Å; L398-I414 HydrophobicContact CD2-CG1 4.26Å; L398-I414 HydrophobicContact CD2-CG2 4.45Å; L398-L417 HydrophobicContact CD2-CD1 4.11Å; L398-L420 HydrophobicContact CB-CD1 3.91Å; L398-R422 PolarHBondContact N-O 3.1Å; L398-L423 HydrophobicContact CB-CD1 4.32Å; L398-L423 HydrophobicContact CD2-CD1 4.38Å; L398-L423 HydrophobicContact CG-CD1 4.41Å; L398-L423 WeakPolarHBondContact O-CA 3.33Å; L398-V424 PolarHBondContact O-N 2.57Å
399	N	98	Very high	94.5	Very high	15 Å²	15	39.6 Å²	39.6	8%	0.08	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.9	173.3	-176.1	0	0	0	0	110.7	L372 E373 L374 S401 V424	L372-N399 PolarHBondContact O-N 2.79Å; E373-N399 WeakPolarHBondContact OE2-CB 3.46Å; E373-N399 VanDerWaalsContact OE2-CG 3.31Å; E373-N399 PolarHBondContact OE2-ND2 2.73Å; L374-N399 CarbonylContact C-O 3.59Å; L374-N399 WeakPolarHBondContact CA-O 3.41Å; L374-N399 WeakPolarHBondContact CB-O 3.43Å; L374-N399 PolarHBondContact N-O 3.02Å; N399-S401 VanDerWaalsContact OD1-CB 3.27Å; N399-S401 WeakPolarHBondContact OD1-CB 3.26Å; N399-S401 PolarHBondContact OD1-N 3.12Å; N399-S401 PolarHBondContact OD1-OG 3.17Å; N399-S401 VanDerWaalsContact OD1-OG 3.11Å; N399-V424 HydrophobicContact CB-CB 4.12Å; N399-V424 WeakPolarHBondContact OD1-CB 3.17Å; N399-V424 WeakPolarHBondContact OD1-CG1 3.24Å
400	L	97.5	Very high	94.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.			trans	-122	24.7	177.6	-62.7	168.2	0	0	0	110.9	L374 L380 L385 L398 S402 C403 L406 F411 I414 V424 L425 T428	L374-L400 HydrophobicContact CB-CD2 4.13Å; L374-L400 HydrophobicContact CD1-CD2 4.03Å; L380-L400 HydrophobicContact CD1-CD2 3.87Å; L385-L400 HydrophobicContact CD1-CD1 4.48Å; L385-L400 HydrophobicContact CD2-CD1 3.89Å; L385-L400 HydrophobicContact CD2-CD2 4.29Å; L398-L400 HydrophobicContact CD1-CD2 4.21Å; L398-L400 HydrophobicContact CD1-CG 4.14Å; L398-L400 HydrophobicContact CD2-CD1 3.99Å; L398-L400 HydrophobicContact CD2-CG 4.37Å; L398-L400 HydrophobicContact CG-CD1 4.2Å; L398-L400 HydrophobicContact CG-CG 4.05Å; L400-S402 PolarHBondContact O-N 2.93Å; L400-C403 HydrophobicContact CB-CB 4.49Å; L400-C403 VanDerWaalsContact O-CB 3.27Å; L400-C403 WeakPolarHBondContact O-CB 3.28Å; L400-C403 PolarHBondContact O-N 2.74Å; L400-C403 PolarHBondContact O-SG 3.11Å; L400-C403 VanDerWaalsContact O-SG 3.35Å; L400-L406 HydrophobicContact CD2-CD1 4.34Å; L400-F411 HydrophobicContact CD1-CE1 4.26Å; L400-I414 HydrophobicContact CD1-CD1 3.77Å; L400-V424 PolarHBondContact N-O 2.8Å; L400-L425 HydrophobicContact CB-CD2 4.24Å; L400-L425 HydrophobicContact CD1-CD2 4.06Å; L400-T428 WeakPolarHBondContact O-CG2 3.22Å
401	S	95.6	Very high	94.3	Very high	13 Å²	13	33.6 Å²	33.6	9%	0.091	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	138.9	-176.7	64.6	0	0	0	0	111.5	S375 C376 N399 C403 Y426	S375-S401 CarbonylContact C-O 3.59Å; S375-S401 WeakPolarHBondContact CA-O 3.21Å; S375-S401 WeakPolarHBondContact CB-OG 3.42Å; S375-S401 PolarHBondContact OG-OG 2.85Å; C376-S401 PolarHBondContact N-O 3.49Å; N399-S401 VanDerWaalsContact OD1-CB 3.27Å; N399-S401 WeakPolarHBondContact OD1-CB 3.26Å; N399-S401 PolarHBondContact OD1-N 3.12Å; N399-S401 PolarHBondContact OD1-OG 3.17Å; N399-S401 VanDerWaalsContact OD1-OG 3.11Å; S401-C403 PolarHBondContact O-N 3.12Å; S401-Y426 CarbonylContact C-O 3.59Å; S401-Y426 VanDerWaalsContact CA-O 3.32Å; S401-Y426 WeakPolarHBondContact CA-O 3.42Å
402	S	93.6	Very high	94.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.007	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	25.1	179.9	-59	0	0	0	0	114.2	S57 L400 D404 Y426	S57-S402 PolarHBondContact O-OG 3.47Å; L400-S402 PolarHBondContact O-N 2.93Å; S402-D404 PolarHBondContact O-N 2.95Å; S402-D404 VanDerWaalsContact O-N 3.11Å; S402-Y426 PolarHBondContact N-O 2.9Å
403	C	92.7	Very high	94.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.007	18%	0.177	C	C	.	.			trans	-83.9	66.6	169.2	-65.7	0	0	0	0	110.5	L374 L400 S401 R405 L406	L374-C403 PolarHBondContact O-SG 2.67Å; L400-C403 HydrophobicContact CB-CB 4.49Å; L400-C403 VanDerWaalsContact O-CB 3.27Å; L400-C403 WeakPolarHBondContact O-CB 3.28Å; L400-C403 PolarHBondContact O-N 2.74Å; L400-C403 PolarHBondContact O-SG 3.11Å; L400-C403 VanDerWaalsContact O-SG 3.35Å; S401-C403 PolarHBondContact O-N 3.12Å; C403-R405 VanDerWaalsContact C-N 3.27Å; C403-R405 PolarHBondContact O-N 2.94Å; C403-L406 HydrophobicContact CB-CD1 3.74Å; C403-L406 HydrophobicContact CB-CG 4.25Å; C403-L406 PolarHBondContact O-N 3.49Å
404	D	83	Confident	94.3	Very high	45 Å²	45	33.9 Å²	33.9	24%	0.241	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-11.2	-171.8	72.8	-18.6	0	0	0	114.4	H378 S402 K429	H378-D404 IonicContact CE1-OD1 2.87Å; H378-D404 IonicContact ND1-OD1 3.13Å; H378-D404 PolarHBondContact ND1-OD1 3.02Å; S402-D404 PolarHBondContact O-N 2.95Å; S402-D404 VanDerWaalsContact O-N 3.11Å; D404-K429 VanDerWaalsContact O-CD 3.23Å; D404-K429 WeakPolarHBondContact O-CD 3.41Å; D404-K429 WeakPolarHBondContact O-CE 3.36Å; D404-K429 PolarHBondContact O-NZ 2.63Å
405	R	83.8	Confident	94.2	Very high	132 Å²	132	29 Å²	29	50%	0.498	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-14.1	174.9	-61.3	-163.7	-177.1	-157.2	-0.9	114.3	H378 C403 H407	H378-R405 WeakPolarHBondContact O-CD 3.22Å; C403-R405 VanDerWaalsContact C-N 3.27Å; C403-R405 PolarHBondContact O-N 2.94Å; R405-H407 PolarHBondContact O-N 2.69Å
406	L	91	Very high	94.2	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.165	C	C	.	.	S	Bend	trans	-63.6	129.7	174.8	-78.4	172.4	0	0	0	110.7	L380 L385 L400 C403 A410 F411	L380-L406 HydrophobicContact CB-CD1 4.44Å; L380-L406 HydrophobicContact CB-CD2 3.8Å; L380-L406 HydrophobicContact CB-CG 4.07Å; L380-L406 HydrophobicContact CD1-CD1 4.43Å; L385-L406 HydrophobicContact CD1-CD1 3.92Å; L385-L406 HydrophobicContact CD1-CD2 3.94Å; L385-L406 HydrophobicContact CG-CD2 4.37Å; L400-L406 HydrophobicContact CD2-CD1 4.34Å; C403-L406 HydrophobicContact CB-CD1 3.74Å; C403-L406 HydrophobicContact CB-CG 4.25Å; C403-L406 PolarHBondContact O-N 3.49Å; L406-A410 HydrophobicContact CD2-CB 4.37Å; L406-F411 HydrophobicContact CB-CE2 4Å; L406-F411 HydrophobicContact CB-CZ 3.83Å; L406-F411 HydrophobicContact CD1-CE1 4.19Å; L406-F411 HydrophobicContact CD1-CZ 3.98Å
407	H	90.6	Very high	94.1	Very high	104 Å²	104	32.2 Å²	32.2	48%	0.481	15%	0.153	S	C	.	.			trans	-74	140.9	175.9	-159.5	-83.6	0	0	0	110.2	R405 Q409 A410	R405-H407 PolarHBondContact O-N 2.69Å; H407-Q409 VanDerWaalsContact C-N 3.3Å; H407-Q409 PolarHBondContact CE1-OE1 3.48Å; H407-Q409 PolarHBondContact ND1-OE1 3.23Å; H407-Q409 PolarHBondContact O-N 2.92Å; H407-Q409 VanDerWaalsContact O-N 3.14Å; H407-A410 WeakPolarHBondContact O-CB 3.18Å; H407-A410 PolarHBondContact O-N 2.92Å
408	P	92.1	Very high	94	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.039	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-51.4	-36.9	-175.2	-32.1	34.3	0	0	0	116.9	A410 F411 K429 E431	P408-A410 PolarHBondContact O-N 2.88Å; P408-F411 WeakPolarHBondContact O-CD2 3.41Å; P408-F411 PolarHBondContact O-N 2.9Å; P408-K429 HydrophobicContact CG-CB 4.34Å; P408-E431 VanDerWaalsContact CB-CD 3.43Å; P408-E431 HydrophobicContact CB-CG 3.81Å; P408-E431 VanDerWaalsContact CB-OE1 3.26Å; P408-E431 WeakPolarHBondContact CB-OE1 3.21Å
409	Q	89.8	Confident	93.9	Very high	92 Å²	92	36.8 Å²	36.8	43%	0.43	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-67.2	-23.9	179.4	-62.8	98.5	10.3	0	0	113.3	H407 F411 T412	H407-Q409 VanDerWaalsContact C-N 3.3Å; H407-Q409 PolarHBondContact CE1-OE1 3.48Å; H407-Q409 PolarHBondContact ND1-OE1 3.23Å; H407-Q409 PolarHBondContact O-N 2.92Å; H407-Q409 VanDerWaalsContact O-N 3.14Å; Q409-F411 PolarHBondContact O-N 2.72Å; Q409-T412 WeakPolarHBondContact O-CB 3.15Å; Q409-T412 WeakPolarHBondContact O-CG2 3.41Å; Q409-T412 PolarHBondContact O-N 2.94Å; Q409-T412 PolarHBondContact O-OG1 3.17Å
410	A	93.9	Very high	93.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-58.5	-33	179.5	0	0	0	0	0	112.8	E382 L385 L406 H407 P408 T412 H413	E382-A410 HydrophobicContact CB-CB 3.76Å; E382-A410 HydrophobicContact CG-CB 4.12Å; L385-A410 HydrophobicContact CD1-CB 3.71Å; L406-A410 HydrophobicContact CD2-CB 4.37Å; H407-A410 WeakPolarHBondContact O-CB 3.18Å; H407-A410 PolarHBondContact O-N 2.92Å; P408-A410 PolarHBondContact O-N 2.88Å; A410-T412 PolarHBondContact O-N 3.05Å; A410-H413 PolarHBondContact O-CD2 2.89Å; A410-H413 PolarHBondContact O-N 2.89Å
411	F	96.7	Very high	94	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-65.6	-20	-179.1	-65.2	-81.4	0	0	0	112.9	L400 L406 P408 Q409 H413 I414 L425 T428 I430 A434	L400-F411 HydrophobicContact CD1-CE1 4.26Å; L406-F411 HydrophobicContact CB-CE2 4Å; L406-F411 HydrophobicContact CB-CZ 3.83Å; L406-F411 HydrophobicContact CD1-CE1 4.19Å; L406-F411 HydrophobicContact CD1-CZ 3.98Å; P408-F411 WeakPolarHBondContact O-CD2 3.41Å; P408-F411 PolarHBondContact O-N 2.9Å; Q409-F411 PolarHBondContact O-N 2.72Å; F411-H413 PolarHBondContact O-N 2.85Å; F411-I414 HydrophobicContact CB-CD1 4.4Å; F411-I414 HydrophobicContact CD1-CD1 3.83Å; F411-I414 WeakPolarHBondContact O-CB 3.22Å; F411-I414 WeakPolarHBondContact O-CG1 3.09Å; F411-I414 PolarHBondContact O-N 3.38Å; F411-I414 VanDerWaalsContact O-N 3.14Å; F411-L425 HydrophobicContact CD1-CD2 3.94Å; F411-L425 HydrophobicContact CE1-CD2 3.79Å; F411-T428 HydrophobicContact CE1-CG2 4.28Å; F411-T428 HydrophobicContact CZ-CG2 4.26Å; F411-I430 HydrophobicContact CB-CB 4.47Å; F411-I430 HydrophobicContact CB-CD1 4.02Å; F411-I430 HydrophobicContact CB-CG1 3.91Å; F411-I430 HydrophobicContact CD1-CB 4.14Å; F411-I430 HydrophobicContact CD1-CD1 4.27Å; F411-I430 HydrophobicContact CD1-CG1 4.33Å; F411-I430 HydrophobicContact CD2-CB 4.11Å; F411-I430 HydrophobicContact CD2-CG1 4.41Å; F411-I430 HydrophobicContact CE1-CB 4.46Å; F411-I430 HydrophobicContact CE2-CB 4.43Å; F411-I430 HydrophobicContact CG-CB 3.97Å; F411-I430 HydrophobicContact CG-CD1 4.25Å; F411-I430 HydrophobicContact CG-CG1 3.96Å; F411-A434 HydrophobicContact CB-CB 3.97Å
412	T	95.4	Very high	94.1	Very high	57 Å²	57	40.5 Å²	40.5	35%	0.35	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-62.9	-28.2	177.5	64.1	0	0	0	0	112.3	Q409 A410 I414 S415 A434	Q409-T412 WeakPolarHBondContact O-CB 3.15Å; Q409-T412 WeakPolarHBondContact O-CG2 3.41Å; Q409-T412 PolarHBondContact O-N 2.94Å; Q409-T412 PolarHBondContact O-OG1 3.17Å; A410-T412 PolarHBondContact O-N 3.05Å; T412-I414 PolarHBondContact O-N 3.14Å; T412-S415 WeakPolarHBondContact O-CB 3.12Å; T412-S415 PolarHBondContact O-N 2.96Å; T412-S415 PolarHBondContact O-OG 3.13Å; T412-A434 HydrophobicContact CG2-CB 4.14Å
413	H	97.1	Very high	94.3	Very high	22 Å²	22	40.4 Å²	40.4	10%	0.102	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-63.7	-26.3	177	-66.5	-58	0	0	0	113.3	L385 A389 A410 F411 S415 K416	L385-H413 HydrophobicContact CB-CB 4.4Å; A389-H413 HydrophobicContact CB-CB 4.04Å; A389-H413 WeakPolarHBondContact CB-O 3.14Å; A410-H413 PolarHBondContact O-CD2 2.89Å; A410-H413 PolarHBondContact O-N 2.89Å; F411-H413 PolarHBondContact O-N 2.85Å; H413-S415 PolarHBondContact O-N 2.91Å; H413-K416 WeakPolarHBondContact O-CB 3.44Å; H413-K416 PolarHBondContact O-N 3.41Å; H413-K416 VanDerWaalsContact O-N 3.1Å
414	I	97.9	Very high	94.5	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-62.5	-28.7	-179.8	-59.5	173.3	0	0	0	110.9	L385 L398 L400 F411 T412 K416 L417 L420 L423 L425 I438	L385-I414 HydrophobicContact CD2-CG1 4.38Å; L398-I414 HydrophobicContact CD2-CD1 4.32Å; L398-I414 HydrophobicContact CD2-CG1 4.26Å; L398-I414 HydrophobicContact CD2-CG2 4.45Å; L400-I414 HydrophobicContact CD1-CD1 3.77Å; F411-I414 HydrophobicContact CB-CD1 4.4Å; F411-I414 HydrophobicContact CD1-CD1 3.83Å; F411-I414 WeakPolarHBondContact O-CB 3.22Å; F411-I414 WeakPolarHBondContact O-CG1 3.09Å; F411-I414 PolarHBondContact O-N 3.38Å; F411-I414 VanDerWaalsContact O-N 3.14Å; T412-I414 PolarHBondContact O-N 3.14Å; I414-K416 PolarHBondContact O-N 2.72Å; I414-K416 VanDerWaalsContact O-N 3.07Å; I414-L417 HydrophobicContact CG2-CD1 4.34Å; I414-L417 WeakPolarHBondContact O-CB 3.35Å; I414-L417 PolarHBondContact O-N 3.05Å; I414-L420 HydrophobicContact CG2-CD2 3.89Å; I414-L423 HydrophobicContact CG2-CD1 4.47Å; I414-L423 HydrophobicContact CG2-CD2 4.24Å; I414-L425 HydrophobicContact CD1-CD2 4.41Å; I414-I438 HydrophobicContact CB-CD1 3.78Å; I414-I438 HydrophobicContact CB-CG1 3.94Å; I414-I438 HydrophobicContact CD1-CD1 4.26Å; I414-I438 HydrophobicContact CG2-CD1 3.85Å; I414-I438 HydrophobicContact CG2-CG1 3.98Å; I414-I438 HydrophobicContact CG2-CG2 4.31Å
415	S	97.1	Very high	95.2	Very high	20 Å²	20	39.1 Å²	39.1	14%	0.14	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-60.9	-18.5	177.2	65.2	0	0	0	0	113.9	T412 H413 L417 S437 F441	T412-S415 WeakPolarHBondContact O-CB 3.12Å; T412-S415 PolarHBondContact O-N 2.96Å; T412-S415 PolarHBondContact O-OG 3.13Å; H413-S415 PolarHBondContact O-N 2.91Å; S415-L417 VanDerWaalsContact C-N 3.26Å; S415-L417 PolarHBondContact O-N 3.16Å; S415-S437 WeakPolarHBondContact CB-OG 3.33Å; S415-F441 WeakPolarHBondContact O-CB 3.43Å
416	K	97.1	Very high	95.8	Very high	121 Å²	121	33.3 Å²	33.3	53%	0.526	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-77	-11.1	175.3	-57.7	-179.1	-178.3	-178.5	0	113.1	A389 H413 I414 S418	A389-K416 HydrophobicContact CB-CB 4.18Å; A389-K416 HydrophobicContact CB-CD 4.21Å; H413-K416 WeakPolarHBondContact O-CB 3.44Å; H413-K416 PolarHBondContact O-N 3.41Å; H413-K416 VanDerWaalsContact O-N 3.1Å; I414-K416 PolarHBondContact O-N 2.72Å; I414-K416 VanDerWaalsContact O-N 3.07Å; K416-S418 PolarHBondContact O-N 3.2Å
417	L	97.5	Very high	95.9	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	17%	0.166	C	C	.	.			trans	-89.9	75	-179.8	-59.3	172.5	0	0	0	110.3	I388 C392 L395 L398 I414 S415 H419 L420 C442	I388-L417 HydrophobicContact CG2-CD1 4.47Å; C392-L417 WeakPolarHBondContact O-CD2 3.2Å; L395-L417 HydrophobicContact CB-CD2 4.21Å; L395-L417 HydrophobicContact CD2-CD1 3.95Å; L398-L417 HydrophobicContact CD2-CD1 4.11Å; I414-L417 HydrophobicContact CG2-CD1 4.34Å; I414-L417 WeakPolarHBondContact O-CB 3.35Å; I414-L417 PolarHBondContact O-N 3.05Å; S415-L417 VanDerWaalsContact C-N 3.26Å; S415-L417 PolarHBondContact O-N 3.16Å; L417-H419 PolarHBondContact O-N 3.21Å; L417-H419 VanDerWaalsContact O-N 3.11Å; L417-L420 WeakPolarHBondContact O-CB 3.43Å; L417-L420 PolarHBondContact O-N 2.96Å; L417-C442 PolarHBondContact O-SG 3.04Å
418	S	95.6	Very high	96.1	Very high	56 Å²	56	29.3 Å²	29.3	39%	0.392	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.7	-169.9	55.9	0	0	0	0	115.5	K416	K416-S418 PolarHBondContact O-N 3.2Å
419	H	96.9	Very high	96.2	Very high	82 Å²	82	32.5 Å²	32.5	38%	0.38	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	12.4	-179.4	-65	-61	0	0	0	114	L395 L417 R421 E444	L395-H419 CarbonylContact O-C 3.55Å; L417-H419 PolarHBondContact O-N 3.21Å; L417-H419 VanDerWaalsContact O-N 3.11Å; H419-R421 PolarHBondContact O-N 3.14Å; H419-E444 IonicContact CE1-OE1 3.63Å; H419-E444 IonicContact ND1-OE1 3.73Å; H419-E444 PolarHBondContact ND1-OE1 2.93Å
420	L	98.1	Very high	96.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.			trans	-65.3	124.9	-177.3	-159.8	71.1	0	0	0	111.3	L398 I414 L417 L423 C442 E444 I445	L398-L420 HydrophobicContact CB-CD1 3.91Å; I414-L420 HydrophobicContact CG2-CD2 3.89Å; L417-L420 WeakPolarHBondContact O-CB 3.43Å; L417-L420 PolarHBondContact O-N 2.96Å; L420-L423 HydrophobicContact CD2-CB 3.79Å; L420-L423 HydrophobicContact CD2-CD1 4.1Å; L420-L423 HydrophobicContact CD2-CD2 3.86Å; L420-L423 HydrophobicContact CD2-CG 4.12Å; L420-L423 HydrophobicContact CG-CB 4.45Å; L420-C442 HydrophobicContact CB-CB 4.26Å; L420-E444 CarbonylContact O-C 3.44Å; L420-I445 WeakPolarHBondContact O-CG1 3.49Å; L420-I445 PolarHBondContact O-N 3.49Å
421	R	97.8	Very high	96.6	Very high	87 Å²	87	31.3 Å²	31.3	33%	0.328	15%	0.151	S	C	.	.			trans	-112.3	-32	179.7	-67.4	179.5	178.5	-176.8	-1.6	112.5	Q396 H419 E444 R446 H447	Q396-R421 HydrophobicContact CB-CB 4.47Å; Q396-R421 HydrophobicContact CB-CG 4.46Å; Q396-R421 WeakPolarHBondContact O-CA 3.16Å; Q396-R421 PolarHBondContact O-N 3.05Å; H419-R421 PolarHBondContact O-N 3.14Å; R421-E444 HydrophobicContact CG-CB 4.19Å; R421-E444 IonicContact CZ-OE2 3.66Å; R421-E444 IonicContact NE-OE2 2.82Å; R421-E444 PolarHBondContact NE-OE2 2.96Å; R421-E444 IonicContact NH2-OE2 3.63Å; R421-E444 PolarHBondContact NH2-OE2 3.07Å; R421-R446 PolarHBondContact O-N 3.45Å; R421-H447 PolarHBondContact O-N 3.46Å
422	R	98.3	Very high	96.5	Very high	18 Å²	18	32.9 Å²	32.9	7%	0.068	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.1	176.8	177.6	175.1	159.6	-76.8	4.3	110.2	S104 E373 Q396 E397 L398 V424 H447	S104-R422 PolarHBondContact O-NE 3.19Å; E373-R422 IonicContact OE1-CZ 2.93Å; E373-R422 VanDerWaalsContact OE1-CZ 3.3Å; E373-R422 IonicContact OE1-NH1 3.01Å; E373-R422 PolarHBondContact OE1-NH1 3.25Å; E373-R422 IonicContact OE1-NH2 3.02Å; E373-R422 PolarHBondContact OE1-NH2 3.22Å; E373-R422 IonicContact OE2-NH2 3.85Å; Q396-R422 PolarHBondContact O-N 2.82Å; E397-R422 WeakPolarHBondContact CA-O 3.37Å; E397-R422 HydrophobicContact CB-CB 4.22Å; E397-R422 HydrophobicContact CG-CB 4.05Å; L398-R422 PolarHBondContact N-O 3.1Å; R422-V424 HydrophobicContact CG-CG2 4.35Å; R422-H447 WeakPolarHBondContact CA-O 3.27Å; R422-H447 HydrophobicContact CB-CB 4.12Å; R422-H447 HydrophobicContact CG-CB 3.94Å
423	L	98.4	Very high	96.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	119.1	177.2	179.5	54.2	0	0	0	110.2	L398 I414 L420 L425 I438 H447 L448 N449	L398-L423 HydrophobicContact CB-CD1 4.32Å; L398-L423 HydrophobicContact CD2-CD1 4.38Å; L398-L423 HydrophobicContact CG-CD1 4.41Å; L398-L423 WeakPolarHBondContact O-CA 3.33Å; I414-L423 HydrophobicContact CG2-CD1 4.47Å; I414-L423 HydrophobicContact CG2-CD2 4.24Å; L420-L423 HydrophobicContact CD2-CB 3.79Å; L420-L423 HydrophobicContact CD2-CD1 4.1Å; L420-L423 HydrophobicContact CD2-CD2 3.86Å; L420-L423 HydrophobicContact CD2-CG 4.12Å; L420-L423 HydrophobicContact CG-CB 4.45Å; L423-L425 HydrophobicContact CD1-CD1 4.24Å; L423-L425 HydrophobicContact CD1-CD2 3.97Å; L423-L425 HydrophobicContact CD1-CG 3.85Å; L423-L425 HydrophobicContact CD2-CD1 3.78Å; L423-L425 HydrophobicContact CD2-CG 4.29Å; L423-L425 HydrophobicContact CG-CD1 3.9Å; L423-L425 HydrophobicContact CG-CD2 4.49Å; L423-L425 HydrophobicContact CG-CG 3.85Å; L423-I438 HydrophobicContact CD2-CD1 4.31Å; L423-I438 HydrophobicContact CD2-CG2 3.79Å; L423-H447 PolarHBondContact N-O 3.21Å; L423-L448 HydrophobicContact CB-CD1 4.01Å; L423-L448 HydrophobicContact CD2-CD1 4.13Å; L423-L448 HydrophobicContact CG-CD1 4.13Å; L423-L448 WeakPolarHBondContact O-CA 3.36Å; L423-N449 PolarHBondContact O-N 2.77Å
424	V	97.7	Very high	96.6	Very high	18 Å²	18	33.9 Å²	33.9	11%	0.109	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.7	177.5	-177.4	0	0	0	0	109.8	L398 N399 L400 R422 N449	L398-V424 PolarHBondContact O-N 2.57Å; N399-V424 HydrophobicContact CB-CB 4.12Å; N399-V424 WeakPolarHBondContact OD1-CB 3.17Å; N399-V424 WeakPolarHBondContact OD1-CG1 3.24Å; L400-V424 PolarHBondContact N-O 2.8Å; R422-V424 HydrophobicContact CG-CG2 4.35Å; V424-N449 HydrophobicContact CB-CB 4.36Å; V424-N449 HydrophobicContact CG1-CB 4.01Å; V424-N449 HydrophobicContact CG2-CB 4.36Å
425	L	97.4	Very high	96.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.			trans	-122.5	18.7	-177	-66.3	171.8	0	0	0	112.3	L400 F411 I414 L423 R427 T428 I430 N449 L450 C453	L400-L425 HydrophobicContact CB-CD2 4.24Å; L400-L425 HydrophobicContact CD1-CD2 4.06Å; F411-L425 HydrophobicContact CD1-CD2 3.94Å; F411-L425 HydrophobicContact CE1-CD2 3.79Å; I414-L425 HydrophobicContact CD1-CD2 4.41Å; L423-L425 HydrophobicContact CD1-CD1 4.24Å; L423-L425 HydrophobicContact CD1-CD2 3.97Å; L423-L425 HydrophobicContact CD1-CG 3.85Å; L423-L425 HydrophobicContact CD2-CD1 3.78Å; L423-L425 HydrophobicContact CD2-CG 4.29Å; L423-L425 HydrophobicContact CG-CD1 3.9Å; L423-L425 HydrophobicContact CG-CD2 4.49Å; L423-L425 HydrophobicContact CG-CG 3.85Å; L425-R427 PolarHBondContact O-N 3.49Å; L425-T428 HydrophobicContact CB-CG2 4.38Å; L425-T428 HydrophobicContact CD2-CG2 4.43Å; L425-T428 WeakPolarHBondContact O-CB 3.27Å; L425-T428 WeakPolarHBondContact O-CG2 3.32Å; L425-T428 PolarHBondContact O-N 3.17Å; L425-T428 VanDerWaalsContact O-N 3.13Å; L425-T428 PolarHBondContact O-OG1 3.38Å; L425-I430 HydrophobicContact CD1-CD1 3.49Å; L425-I430 VanDerWaalsContact CD1-CD1 3.49Å; L425-I430 HydrophobicContact CD1-CG2 4.36Å; L425-N449 WeakPolarHBondContact CA-O 3.37Å; L425-N449 WeakPolarHBondContact CB-O 3.03Å; L425-N449 PolarHBondContact N-O 2.95Å; L425-L450 HydrophobicContact CB-CD2 4.32Å; L425-L450 HydrophobicContact CD1-CD2 3.96Å; L425-C453 PolarHBondContact O-SG 3.42Å
426	Y	95.4	Very high	96.6	Very high	11 Å²	11	34.6 Å²	34.6	4%	0.043	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	128.7	179.3	170.9	-101	0	0	0	111.5	H59 S401 S402 T428 G451	H59-Y426 PolarHBondContact N-OH 3.17Å; H59-Y426 VanDerWaalsContact N-OH 3.12Å; H59-Y426 PolarHBondContact O-OH 3.28Å; S401-Y426 CarbonylContact C-O 3.59Å; S401-Y426 VanDerWaalsContact CA-O 3.32Å; S401-Y426 WeakPolarHBondContact CA-O 3.42Å; S402-Y426 PolarHBondContact N-O 2.9Å; Y426-T428 VanDerWaalsContact C-N 3.3Å; Y426-T428 PolarHBondContact O-N 3.43Å; Y426-G451 VanDerWaalsContact CA-O 3.32Å; Y426-G451 WeakPolarHBondContact CA-O 3.21Å; Y426-G451 VanDerWaalsContact CD2-O 3.27Å; Y426-G451 WeakPolarHBondContact CD2-O 3.46Å
427	R	93.5	Very high	96.6	Very high	18 Å²	18	30.4 Å²	30.4	7%	0.068	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	43.6	179.1	-162.4	-175.7	159.9	-144.4	-5.3	113.3	F56 E63 L425 G451	F56-R427 VanDerWaalsContact CD2-NH1 3.28Å; F56-R427 PolarHBondContact O-NH1 3.33Å; F56-R427 VanDerWaalsContact O-NH1 3.12Å; E63-R427 IonicContact OE1-CZ 2.69Å; E63-R427 IonicContact OE1-NE 3.68Å; E63-R427 PolarHBondContact OE1-NE 2.99Å; E63-R427 IonicContact OE1-NH2 2.72Å; L425-R427 PolarHBondContact O-N 3.49Å; R427-G451 PolarHBondContact N-O 3.34Å
428	T	94.4	Very high	96.7	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	15%	0.153	C	C	.	.			trans	-105.8	171.9	171.3	65	0	0	0	0	112	L400 F411 L425 Y426	L400-T428 WeakPolarHBondContact O-CG2 3.22Å; F411-T428 HydrophobicContact CE1-CG2 4.28Å; F411-T428 HydrophobicContact CZ-CG2 4.26Å; L425-T428 HydrophobicContact CB-CG2 4.38Å; L425-T428 HydrophobicContact CD2-CG2 4.43Å; L425-T428 WeakPolarHBondContact O-CB 3.27Å; L425-T428 WeakPolarHBondContact O-CG2 3.32Å; L425-T428 PolarHBondContact O-N 3.17Å; L425-T428 VanDerWaalsContact O-N 3.13Å; L425-T428 PolarHBondContact O-OG1 3.38Å; Y426-T428 VanDerWaalsContact C-N 3.3Å; Y426-T428 PolarHBondContact O-N 3.43Å
429	K	94.1	Very high	96.8	Very high	74 Å²	74	27.6 Å²	27.6	32%	0.322	14%	0.135	S	C	.	.			trans	-98.3	26.4	179.2	-66.3	178.8	175.2	161.6	0	112.5	D404 P408 E431 R455	D404-K429 VanDerWaalsContact O-CD 3.23Å; D404-K429 WeakPolarHBondContact O-CD 3.41Å; D404-K429 WeakPolarHBondContact O-CE 3.36Å; D404-K429 PolarHBondContact O-NZ 2.63Å; P408-K429 HydrophobicContact CG-CB 4.34Å; K429-E431 PolarHBondContact O-N 3.27Å; K429-R455 VanDerWaalsContact O-CD 3.3Å; K429-R455 WeakPolarHBondContact O-CD 3.49Å
430	I	95.9	Very high	96.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.			trans	-62.1	133.8	179	-172.2	167.3	0	0	0	111.5	F411 L425 A434 I435 I438 C453 R455 I456	F411-I430 HydrophobicContact CB-CB 4.47Å; F411-I430 HydrophobicContact CB-CD1 4.02Å; F411-I430 HydrophobicContact CB-CG1 3.91Å; F411-I430 HydrophobicContact CD1-CB 4.14Å; F411-I430 HydrophobicContact CD1-CD1 4.27Å; F411-I430 HydrophobicContact CD1-CG1 4.33Å; F411-I430 HydrophobicContact CD2-CB 4.11Å; F411-I430 HydrophobicContact CD2-CG1 4.41Å; F411-I430 HydrophobicContact CE1-CB 4.46Å; F411-I430 HydrophobicContact CE2-CB 4.43Å; F411-I430 HydrophobicContact CG-CB 3.97Å; F411-I430 HydrophobicContact CG-CD1 4.25Å; F411-I430 HydrophobicContact CG-CG1 3.96Å; L425-I430 HydrophobicContact CD1-CD1 3.49Å; L425-I430 VanDerWaalsContact CD1-CD1 3.49Å; L425-I430 HydrophobicContact CD1-CG2 4.36Å; I430-A434 HydrophobicContact CD1-CB 4.29Å; I430-A434 HydrophobicContact CG1-CB 3.94Å; I430-I435 HydrophobicContact CD1-CB 3.91Å; I430-I435 HydrophobicContact CD1-CD1 4.39Å; I430-I435 HydrophobicContact CG1-CB 4.45Å; I430-I438 HydrophobicContact CD1-CD1 3.84Å; I430-C453 HydrophobicContact CG2-CB 4.17Å; I430-R455 WeakPolarHBondContact O-CB 3.35Å; I430-I456 HydrophobicContact CG2-CD1 4.29Å
431	E	95.8	Very high	96.8	Very high	66 Å²	66	32.2 Å²	32.2	31%	0.308	16%	0.159	S	C	.	.			trans	-89.9	157.8	175.3	-78.3	170.2	-175.5	0	0	111.9	P408 K429 T433 A434 I435 R455	P408-E431 VanDerWaalsContact CB-CD 3.43Å; P408-E431 HydrophobicContact CB-CG 3.81Å; P408-E431 VanDerWaalsContact CB-OE1 3.26Å; P408-E431 WeakPolarHBondContact CB-OE1 3.21Å; K429-E431 PolarHBondContact O-N 3.27Å; E431-T433 VanDerWaalsContact C-N 3.32Å; E431-T433 PolarHBondContact O-N 3.43Å; E431-A434 PolarHBondContact O-N 2.81Å; E431-A434 VanDerWaalsContact O-N 3.16Å; E431-I435 PolarHBondContact O-N 2.95Å; E431-R455 HydrophobicContact CG-CB 4.22Å
432	Q	95.4	Very high	96.8	Very high	34 Å²	34	28 Å²	28	16%	0.159	14%	0.143	C	C	.	.	H	α-helix	trans	-55.6	-43.8	-179.8	-177.5	165.3	-23.5	0	0	112.9	A434 I435 L436	Q432-A434 VanDerWaalsContact C-N 3.3Å; Q432-A434 PolarHBondContact O-N 2.88Å; Q432-I435 WeakPolarHBondContact O-CG2 3.32Å; Q432-I435 PolarHBondContact O-N 3.03Å; Q432-L436 HydrophobicContact CG-CD1 3.82Å; Q432-L436 HydrophobicContact CG-CG 4.21Å; Q432-L436 WeakPolarHBondContact O-CG 3.22Å; Q432-L436 PolarHBondContact O-N 2.79Å
433	T	96.5	Very high	96.6	Very high	98 Å²	98	30.5 Å²	30.5	60%	0.601	16%	0.161	S	C	*	.	H	α-helix	trans	-59.3	-40.6	179	50.1	0	0	0	0	112.3	E431 S437	E431-T433 VanDerWaalsContact C-N 3.32Å; E431-T433 PolarHBondContact O-N 3.43Å; T433-S437 WeakPolarHBondContact O-CB 3.16Å; T433-S437 PolarHBondContact O-N 2.87Å
434	A	97.6	Very high	96.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-67.4	-46.4	178.7	0	0	0	0	0	111.7	F411 T412 I430 E431 Q432 L436 S437 I438	F411-A434 HydrophobicContact CB-CB 3.97Å; T412-A434 HydrophobicContact CG2-CB 4.14Å; I430-A434 HydrophobicContact CD1-CB 4.29Å; I430-A434 HydrophobicContact CG1-CB 3.94Å; E431-A434 PolarHBondContact O-N 2.81Å; E431-A434 VanDerWaalsContact O-N 3.16Å; Q432-A434 VanDerWaalsContact C-N 3.3Å; Q432-A434 PolarHBondContact O-N 2.88Å; A434-L436 PolarHBondContact O-N 3.45Å; A434-S437 WeakPolarHBondContact O-CB 3.24Å; A434-S437 PolarHBondContact O-N 2.88Å; A434-I438 VanDerWaalsContact O-CG1 3.29Å; A434-I438 WeakPolarHBondContact O-CG1 3.45Å; A434-I438 PolarHBondContact O-N 3.36Å
435	I	97.7	Very high	96.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.3	-40	178.1	-173.8	59.4	0	0	0	111.7	I430 E431 Q432 S437 I438 L439 L448 L450 I456 V462	I430-I435 HydrophobicContact CD1-CB 3.91Å; I430-I435 HydrophobicContact CD1-CD1 4.39Å; I430-I435 HydrophobicContact CG1-CB 4.45Å; E431-I435 PolarHBondContact O-N 2.95Å; Q432-I435 WeakPolarHBondContact O-CG2 3.32Å; Q432-I435 PolarHBondContact O-N 3.03Å; I435-S437 VanDerWaalsContact C-N 3.3Å; I435-S437 PolarHBondContact O-N 2.83Å; I435-I438 HydrophobicContact CD1-CB 4.46Å; I435-I438 PolarHBondContact O-N 3.06Å; I435-L439 HydrophobicContact CD1-CD2 4.37Å; I435-L439 HydrophobicContact CD1-CG 4.22Å; I435-L439 HydrophobicContact CG1-CD1 4.3Å; I435-L439 HydrophobicContact CG1-CG 4.29Å; I435-L439 VanDerWaalsContact O-CG 3.3Å; I435-L439 WeakPolarHBondContact O-CG 3.47Å; I435-L439 PolarHBondContact O-N 2.89Å; I435-L448 HydrophobicContact CD1-CD1 4.45Å; I435-L450 HydrophobicContact CD1-CD1 4.47Å; I435-L450 HydrophobicContact CD1-CD2 3.96Å; I435-L450 HydrophobicContact CG1-CD1 4.19Å; I435-L450 HydrophobicContact CG1-CD2 4.26Å; I435-I456 HydrophobicContact CG2-CD1 4.21Å; I435-I456 HydrophobicContact CG2-CG1 4.42Å; I435-V462 HydrophobicContact CG1-CG1 4.45Å; I435-V462 HydrophobicContact CG2-CG2 4.06Å
436	L	97.8	Very high	96.6	Very high	37 Å²	37	37.9 Å²	37.9	19%	0.194	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-38	176.3	-63.5	174.1	0	0	0	111.9	Q432 A434 L439 T440 V461 V462 M465	Q432-L436 HydrophobicContact CG-CD1 3.82Å; Q432-L436 HydrophobicContact CG-CG 4.21Å; Q432-L436 WeakPolarHBondContact O-CG 3.22Å; Q432-L436 PolarHBondContact O-N 2.79Å; A434-L436 PolarHBondContact O-N 3.45Å; L436-L439 PolarHBondContact O-N 2.98Å; L436-T440 WeakPolarHBondContact O-CB 3.2Å; L436-T440 PolarHBondContact O-N 2.94Å; L436-T440 PolarHBondContact O-OG1 2.98Å; L436-V461 HydrophobicContact CD1-CG1 3.93Å; L436-V461 HydrophobicContact CD2-CG1 3.82Å; L436-V462 HydrophobicContact CD2-CG2 4.25Å; L436-M465 HydrophobicContact CD2-CB 4.1Å; L436-M465 HydrophobicContact CD2-CG 3.59Å
437	S	97.9	Very high	96.7	Very high	33 Å²	33	38.8 Å²	38.8	23%	0.231	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-47.8	173	-173.8	0	0	0	0	111.5	S415 T433 A434 I435 L439 T440 F441	S415-S437 WeakPolarHBondContact CB-OG 3.33Å; T433-S437 WeakPolarHBondContact O-CB 3.16Å; T433-S437 PolarHBondContact O-N 2.87Å; A434-S437 WeakPolarHBondContact O-CB 3.24Å; A434-S437 PolarHBondContact O-N 2.88Å; I435-S437 VanDerWaalsContact C-N 3.3Å; I435-S437 PolarHBondContact O-N 2.83Å; S437-L439 PolarHBondContact O-N 2.9Å; S437-T440 WeakPolarHBondContact O-CB 3.32Å; S437-T440 PolarHBondContact O-N 2.91Å; S437-F441 VanDerWaalsContact O-CD2 3.22Å; S437-F441 WeakPolarHBondContact O-CD2 3.32Å; S437-F441 PolarHBondContact O-N 3.31Å; S437-F441 VanDerWaalsContact O-N 3.07Å
438	I	98.3	Very high	97	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-56.1	-49.3	175.8	-67	164.1	0	0	0	110.8	I414 L423 I430 A434 I435 T440 F441 C442 I445	I414-I438 HydrophobicContact CB-CD1 3.78Å; I414-I438 HydrophobicContact CB-CG1 3.94Å; I414-I438 HydrophobicContact CD1-CD1 4.26Å; I414-I438 HydrophobicContact CG2-CD1 3.85Å; I414-I438 HydrophobicContact CG2-CG1 3.98Å; I414-I438 HydrophobicContact CG2-CG2 4.31Å; L423-I438 HydrophobicContact CD2-CD1 4.31Å; L423-I438 HydrophobicContact CD2-CG2 3.79Å; I430-I438 HydrophobicContact CD1-CD1 3.84Å; A434-I438 VanDerWaalsContact O-CG1 3.29Å; A434-I438 WeakPolarHBondContact O-CG1 3.45Å; A434-I438 PolarHBondContact O-N 3.36Å; I435-I438 HydrophobicContact CD1-CB 4.46Å; I435-I438 PolarHBondContact O-N 3.06Å; I438-T440 PolarHBondContact O-N 2.91Å; I438-F441 PolarHBondContact O-N 2.82Å; I438-C442 HydrophobicContact CG2-CB 4.33Å; I438-C442 WeakPolarHBondContact O-CA 3.4Å; I438-C442 WeakPolarHBondContact O-CB 3.46Å; I438-C442 PolarHBondContact O-N 2.82Å; I438-C442 PolarHBondContact O-SG 3.11Å; I438-I445 HydrophobicContact CG2-CD1 4.08Å
439	L	97.9	Very high	97.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-24	179.5	-63.3	-178	0	0	0	113.6	I435 L436 S437 I445 L448 V462 M465 L466 R469	I435-L439 HydrophobicContact CD1-CD2 4.37Å; I435-L439 HydrophobicContact CD1-CG 4.22Å; I435-L439 HydrophobicContact CG1-CD1 4.3Å; I435-L439 HydrophobicContact CG1-CG 4.29Å; I435-L439 VanDerWaalsContact O-CG 3.3Å; I435-L439 WeakPolarHBondContact O-CG 3.47Å; I435-L439 PolarHBondContact O-N 2.89Å; L436-L439 PolarHBondContact O-N 2.98Å; S437-L439 PolarHBondContact O-N 2.9Å; L439-I445 HydrophobicContact CD2-CD1 3.93Å; L439-L448 HydrophobicContact CD2-CD2 4.06Å; L439-V462 HydrophobicContact CD1-CG1 3.98Å; L439-M465 HydrophobicContact CB-CB 4.47Å; L439-M465 HydrophobicContact CD1-CB 3.99Å; L439-L466 HydrophobicContact CD1-CD2 3.85Å; L439-L466 HydrophobicContact CD1-CG 3.79Å; L439-L466 HydrophobicContact CD2-CD2 3.52Å; L439-L466 HydrophobicContact CD2-CG 4.4Å; L439-L466 HydrophobicContact CG-CD2 4.31Å; L439-R469 WeakPolarHBondContact O-CB 3.17Å
440	T	97.5	Very high	97.3	Very high	58 Å²	58	35.8 Å²	35.8	36%	0.356	18%	0.184	S	C	.	.	H	α-helix	trans	-75.8	-41.6	176.4	-60.1	0	0	0	0	111.6	L436 S437 I438 M465	L436-T440 WeakPolarHBondContact O-CB 3.2Å; L436-T440 PolarHBondContact O-N 2.94Å; L436-T440 PolarHBondContact O-OG1 2.98Å; S437-T440 WeakPolarHBondContact O-CB 3.32Å; S437-T440 PolarHBondContact O-N 2.91Å; I438-T440 PolarHBondContact O-N 2.91Å; T440-M465 VanDerWaalsContact OG1-CE 3.23Å; T440-M465 WeakPolarHBondContact OG1-CE 3.1Å
441	F	97.6	Very high	97.2	Very high	121 Å²	121	35.8 Å²	35.8	53%	0.531	18%	0.184	S	C	.	.	H	α-helix	trans	-100.4	-11.5	-172.5	-65.1	-69.4	0	0	0	114.5	S415 S437 I438 P443	S415-F441 WeakPolarHBondContact O-CB 3.43Å; S437-F441 VanDerWaalsContact O-CD2 3.22Å; S437-F441 WeakPolarHBondContact O-CD2 3.32Å; S437-F441 PolarHBondContact O-N 3.31Å; S437-F441 VanDerWaalsContact O-N 3.07Å; I438-F441 PolarHBondContact O-N 2.82Å; F441-P443 VanDerWaalsContact O-CD 3.25Å; F441-P443 WeakPolarHBondContact O-CD 3.23Å
442	C	97.1	Very high	97.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.			trans	-117.2	67.9	177.9	-53.1	0	0	0	0	111.3	L417 L420 I438 E444 I445	L417-C442 PolarHBondContact O-SG 3.04Å; L420-C442 HydrophobicContact CB-CB 4.26Å; I438-C442 HydrophobicContact CG2-CB 4.33Å; I438-C442 WeakPolarHBondContact O-CA 3.4Å; I438-C442 WeakPolarHBondContact O-CB 3.46Å; I438-C442 PolarHBondContact O-N 2.82Å; I438-C442 PolarHBondContact O-SG 3.11Å; C442-E444 PolarHBondContact O-N 2.89Å; C442-I445 HydrophobicContact CB-CD1 3.79Å; C442-I445 HydrophobicContact CB-CG1 4.05Å; C442-I445 WeakPolarHBondContact O-CD1 3.35Å; C442-I445 VanDerWaalsContact O-CG1 3.27Å; C442-I445 WeakPolarHBondContact O-CG1 3.39Å; C442-I445 PolarHBondContact O-N 3.38Å
443	P	95.7	Very high	97	Very high	69 Å²	69	32 Å²	32	45%	0.448	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-11.5	-176.4	31.5	-37.2	0	0	0	114	F441 I445	F441-P443 VanDerWaalsContact O-CD 3.25Å; F441-P443 WeakPolarHBondContact O-CD 3.23Å; P443-I445 PolarHBondContact O-N 3.37Å
444	E	96.9	Very high	96.5	Very high	63 Å²	63	31.8 Å²	31.8	29%	0.294	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	0.2	178	-72.7	-167.4	-132.7	0	0	113.8	H419 L420 R421 C442 R446	H419-E444 IonicContact CE1-OE1 3.63Å; H419-E444 IonicContact ND1-OE1 3.73Å; H419-E444 PolarHBondContact ND1-OE1 2.93Å; L420-E444 CarbonylContact O-C 3.44Å; R421-E444 HydrophobicContact CG-CB 4.19Å; R421-E444 IonicContact CZ-OE2 3.66Å; R421-E444 IonicContact NE-OE2 2.82Å; R421-E444 PolarHBondContact NE-OE2 2.96Å; R421-E444 IonicContact NH2-OE2 3.63Å; R421-E444 PolarHBondContact NH2-OE2 3.07Å; C442-E444 PolarHBondContact O-N 2.89Å; E444-R446 WeakPolarHBondContact O-CG 3.28Å; E444-R446 PolarHBondContact O-N 2.9Å
445	I	97.9	Very high	96.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.			trans	-58	125.6	-178.4	-70	169	0	0	0	110.9	L420 I438 L439 C442 P443 L448 L473	L420-I445 WeakPolarHBondContact O-CG1 3.49Å; L420-I445 PolarHBondContact O-N 3.49Å; I438-I445 HydrophobicContact CG2-CD1 4.08Å; L439-I445 HydrophobicContact CD2-CD1 3.93Å; C442-I445 HydrophobicContact CB-CD1 3.79Å; C442-I445 HydrophobicContact CB-CG1 4.05Å; C442-I445 WeakPolarHBondContact O-CD1 3.35Å; C442-I445 VanDerWaalsContact O-CG1 3.27Å; C442-I445 WeakPolarHBondContact O-CG1 3.39Å; C442-I445 PolarHBondContact O-N 3.38Å; P443-I445 PolarHBondContact O-N 3.37Å; I445-L448 HydrophobicContact CG2-CB 4.05Å; I445-L473 HydrophobicContact CG2-CD1 3.89Å
446	R	97.9	Very high	96.1	Very high	110 Å²	110	37 Å²	37	42%	0.415	19%	0.187	S	C	.	.			trans	-114.2	-29.5	175.6	-60	-167.7	179.9	-168.1	-3.2	112.7	R421 E444 C474 S475	R421-R446 PolarHBondContact O-N 3.45Å; E444-R446 WeakPolarHBondContact O-CG 3.28Å; E444-R446 PolarHBondContact O-N 2.9Å; R446-C474 WeakPolarHBondContact O-CA 3.46Å; R446-C474 PolarHBondContact O-N 2.9Å; R446-S475 PolarHBondContact O-N 3.41Å
447	H	98.3	Very high	95.9	Very high	30 Å²	30	42.4 Å²	42.4	14%	0.139	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	119.2	-178.3	-51	-69.7	0	0	0	109.5	A103 S104 R421 R422 L423 S475	A103-H447 PolarHBondContact O-CE1 3.38Å; A103-H447 VanDerWaalsContact O-CE1 3.28Å; A103-H447 PolarHBondContact O-NE2 3.06Å; S104-H447 WeakPolarHBondContact CA-ND1 3.43Å; R421-H447 PolarHBondContact O-N 3.46Å; R422-H447 WeakPolarHBondContact CA-O 3.27Å; R422-H447 HydrophobicContact CB-CB 4.12Å; R422-H447 HydrophobicContact CG-CB 3.94Å; L423-H447 PolarHBondContact N-O 3.21Å; H447-S475 WeakPolarHBondContact CA-O 3.32Å; H447-S475 VanDerWaalsContact ND1-CB 3.29Å; H447-S475 WeakPolarHBondContact ND1-CB 3.48Å
448	L	98.4	Very high	95.8	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.5	-178.9	-180	62.5	0	0	0	110.5	L423 I435 L439 I445 L450 L466 L473 S475 L476 D477	L423-L448 HydrophobicContact CB-CD1 4.01Å; L423-L448 HydrophobicContact CD2-CD1 4.13Å; L423-L448 HydrophobicContact CG-CD1 4.13Å; L423-L448 WeakPolarHBondContact O-CA 3.36Å; I435-L448 HydrophobicContact CD1-CD1 4.45Å; L439-L448 HydrophobicContact CD2-CD2 4.06Å; I445-L448 HydrophobicContact CG2-CB 4.05Å; L448-L450 HydrophobicContact CD1-CD2 4.05Å; L448-L450 HydrophobicContact CD1-CG 4.23Å; L448-L450 HydrophobicContact CD2-CD1 3.99Å; L448-L450 HydrophobicContact CD2-CG 4.17Å; L448-L450 HydrophobicContact CG-CD1 4.37Å; L448-L450 HydrophobicContact CG-CD2 4.37Å; L448-L450 HydrophobicContact CG-CG 3.99Å; L448-L466 HydrophobicContact CD2-CD1 4.33Å; L448-L466 HydrophobicContact CD2-CD2 3.8Å; L448-L473 HydrophobicContact CB-CD1 4.25Å; L448-S475 PolarHBondContact N-O 3.27Å; L448-L476 HydrophobicContact CB-CD1 3.91Å; L448-L476 HydrophobicContact CD2-CD1 3.98Å; L448-L476 HydrophobicContact CG-CD1 4.07Å; L448-L476 WeakPolarHBondContact O-CA 3.33Å; L448-D477 PolarHBondContact O-N 3.03Å
449	N	97.5	Very high	95.7	Very high	28 Å²	28	44 Å²	44	15%	0.15	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	113.4	174.5	-172.8	-35.8	0	0	0	110.7	L423 V424 L425 G451 D477	L423-N449 PolarHBondContact O-N 2.77Å; V424-N449 HydrophobicContact CB-CB 4.36Å; V424-N449 HydrophobicContact CG1-CB 4.01Å; V424-N449 HydrophobicContact CG2-CB 4.36Å; L425-N449 WeakPolarHBondContact CA-O 3.37Å; L425-N449 WeakPolarHBondContact CB-O 3.03Å; L425-N449 PolarHBondContact N-O 2.95Å; N449-G451 PolarHBondContact OD1-N 3.42Å; N449-D477 HydrophobicContact CB-CB 4.13Å; N449-D477 PolarHBondContact ND2-OD2 2.82Å; N449-D477 PolarHBondContact OD1-OD2 3.32Å
450	L	97.3	Very high	95.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.			trans	-114.6	17.2	176.1	-59.9	177.9	0	0	0	111.8	L425 I435 L448 S452 C453 I456 Y459 V462 D477 L478	L425-L450 HydrophobicContact CB-CD2 4.32Å; L425-L450 HydrophobicContact CD1-CD2 3.96Å; I435-L450 HydrophobicContact CD1-CD1 4.47Å; I435-L450 HydrophobicContact CD1-CD2 3.96Å; I435-L450 HydrophobicContact CG1-CD1 4.19Å; I435-L450 HydrophobicContact CG1-CD2 4.26Å; L448-L450 HydrophobicContact CD1-CD2 4.05Å; L448-L450 HydrophobicContact CD1-CG 4.23Å; L448-L450 HydrophobicContact CD2-CD1 3.99Å; L448-L450 HydrophobicContact CD2-CG 4.17Å; L448-L450 HydrophobicContact CG-CD1 4.37Å; L448-L450 HydrophobicContact CG-CD2 4.37Å; L448-L450 HydrophobicContact CG-CG 3.99Å; L450-S452 PolarHBondContact O-N 3.02Å; L450-C453 WeakPolarHBondContact O-CB 3.34Å; L450-C453 PolarHBondContact O-N 3.5Å; L450-C453 VanDerWaalsContact O-N 3.16Å; L450-C453 PolarHBondContact O-SG 3.05Å; L450-C453 VanDerWaalsContact O-SG 3.41Å; L450-I456 HydrophobicContact CD1-CD1 4.18Å; L450-I456 HydrophobicContact CD2-CD1 4.31Å; L450-Y459 HydrophobicContact CB-CE1 4.41Å; L450-Y459 HydrophobicContact CD1-CE1 4.41Å; L450-V462 HydrophobicContact CD1-CG1 3.99Å; L450-D477 PolarHBondContact N-O 3.06Å; L450-L478 HydrophobicContact CB-CD2 4.25Å; L450-L478 HydrophobicContact CD1-CD2 4.25Å
451	G	95.1	Very high	95.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	131.3	-176.4	0	0	0	0	0	111.9	Y426 R427 N449 C453 D477 W479	Y426-G451 VanDerWaalsContact CA-O 3.32Å; Y426-G451 WeakPolarHBondContact CA-O 3.21Å; Y426-G451 VanDerWaalsContact CD2-O 3.27Å; Y426-G451 WeakPolarHBondContact CD2-O 3.46Å; R427-G451 PolarHBondContact N-O 3.34Å; N449-G451 PolarHBondContact OD1-N 3.42Å; G451-C453 PolarHBondContact O-N 3.31Å; G451-D477 PolarHBondContact N-O 3.35Å; G451-W479 CarbonylContact C-O 3.56Å; G451-W479 WeakPolarHBondContact CA-O 3.24Å
452	S	92.5	Very high	95.7	Very high	13 Å²	13	39.5 Å²	39.5	9%	0.091	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	26.5	-178	-60.3	0	0	0	0	114.8	L450 V454 W479	L450-S452 PolarHBondContact O-N 3.02Å; S452-V454 PolarHBondContact O-N 3.43Å; S452-W479 PolarHBondContact N-O 3.43Å
453	C	93.3	Very high	95.8	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.041	20%	0.198	C	C	.	.			trans	-74.6	106.4	168	-73.8	0	0	0	0	110.4	L425 I430 L450 G451 I456 Y459	L425-C453 PolarHBondContact O-SG 3.42Å; I430-C453 HydrophobicContact CG2-CB 4.17Å; L450-C453 WeakPolarHBondContact O-CB 3.34Å; L450-C453 PolarHBondContact O-N 3.5Å; L450-C453 VanDerWaalsContact O-N 3.16Å; L450-C453 PolarHBondContact O-SG 3.05Å; L450-C453 VanDerWaalsContact O-SG 3.41Å; G451-C453 PolarHBondContact O-N 3.31Å; C453-I456 HydrophobicContact CB-CD1 3.89Å; C453-I456 HydrophobicContact CB-CG1 4.32Å; C453-Y459 PolarHBondContact O-OH 3.12Å; C453-Y459 VanDerWaalsContact O-OH 3.05Å
454	V	86.9	Confident	95.9	Very high	94 Å²	94	37.9 Å²	37.9	57%	0.57	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-9.2	-169.2	-61.6	0	0	0	0	115.3	S452	S452-V454 PolarHBondContact O-N 3.43Å
455	R	93.1	Very high	95.9	Very high	101 Å²	101	36.7 Å²	36.7	38%	0.381	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	5.8	-175.2	-83.3	-169.5	167.2	85.4	-3.7	114.5	K429 I430 E431	K429-R455 VanDerWaalsContact O-CD 3.3Å; K429-R455 WeakPolarHBondContact O-CD 3.49Å; I430-R455 WeakPolarHBondContact O-CB 3.35Å; E431-R455 HydrophobicContact CG-CB 4.22Å
456	I	94.3	Very high	95.9	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.056	18%	0.183	C	C	.	.			trans	-89	122.2	171.3	-60.7	175.3	0	0	0	107.6	I430 I435 L450 C453 Y459 V462	I430-I456 HydrophobicContact CG2-CD1 4.29Å; I435-I456 HydrophobicContact CG2-CD1 4.21Å; I435-I456 HydrophobicContact CG2-CG1 4.42Å; L450-I456 HydrophobicContact CD1-CD1 4.18Å; L450-I456 HydrophobicContact CD2-CD1 4.31Å; C453-I456 HydrophobicContact CB-CD1 3.89Å; C453-I456 HydrophobicContact CB-CG1 4.32Å; I456-Y459 HydrophobicContact CB-CD2 4.41Å; I456-Y459 HydrophobicContact CB-CE1 4.22Å; I456-Y459 HydrophobicContact CB-CE2 3.69Å; I456-Y459 HydrophobicContact CD1-CE1 3.91Å; I456-Y459 HydrophobicContact CG2-CD1 4.1Å; I456-Y459 HydrophobicContact CG2-CD2 3.83Å; I456-Y459 HydrophobicContact CG2-CE1 3.87Å; I456-Y459 HydrophobicContact CG2-CE2 3.61Å; I456-Y459 HydrophobicContact CG2-CG 4.09Å; I456-V462 HydrophobicContact CG2-CG2 4Å
457	E	92.8	Very high	95.9	Very high	149 Å²	149	31.8 Å²	31.8	70%	0.696	17%	0.166	S	C	*	.			trans	-88.6	-46	-172.3	-57.6	-179.1	172.6	0	0	111.8	N483	E457-N483 WeakPolarHBondContact O-CB 3.24Å; E457-N483 PolarHBondContact O-ND2 3.43Å
458	D	95.1	Very high	95.9	Very high	61 Å²	61	33.2 Å²	33.2	33%	0.326	18%	0.176	S	C	.	.			trans	-125.4	109.1	-177.3	-173.6	-20.2	0	0	0	110.5	D460 V461	D458-D460 WeakPolarHBondContact OD1-CA 3.48Å; D458-D460 WeakPolarHBondContact OD1-CB 3.21Å; D458-D460 PolarHBondContact OD1-N 3.24Å; D458-V461 HydrophobicContact CB-CG2 4.23Å; D458-V461 PolarHBondContact OD1-N 3.2Å; D458-V461 WeakPolarHBondContact OD2-CG2 3.29Å
459	Y	96.9	Very high	95.8	Very high	7 Å²	7	39.7 Å²	39.7	3%	0.027	20%	0.2	C	C	.	.	H	α-helix	trans	-82.7	-16	179.7	-82.8	-88.6	0	0	0	113.1	L450 C453 I456 V462 A463 L478 C481 N483	L450-Y459 HydrophobicContact CB-CE1 4.41Å; L450-Y459 HydrophobicContact CD1-CE1 4.41Å; C453-Y459 PolarHBondContact O-OH 3.12Å; C453-Y459 VanDerWaalsContact O-OH 3.05Å; I456-Y459 HydrophobicContact CB-CD2 4.41Å; I456-Y459 HydrophobicContact CB-CE1 4.22Å; I456-Y459 HydrophobicContact CB-CE2 3.69Å; I456-Y459 HydrophobicContact CD1-CE1 3.91Å; I456-Y459 HydrophobicContact CG2-CD1 4.1Å; I456-Y459 HydrophobicContact CG2-CD2 3.83Å; I456-Y459 HydrophobicContact CG2-CE1 3.87Å; I456-Y459 HydrophobicContact CG2-CE2 3.61Å; I456-Y459 HydrophobicContact CG2-CG 4.09Å; Y459-V462 PolarHBondContact O-N 2.99Å; Y459-A463 VanDerWaalsContact O-CB 3.3Å; Y459-A463 WeakPolarHBondContact O-CB 3.22Å; Y459-A463 PolarHBondContact O-N 3.34Å; Y459-L478 HydrophobicContact CD1-CD2 4.19Å; Y459-L478 HydrophobicContact CE1-CD2 4.24Å; Y459-C481 HydrophobicContact CD1-CB 3.77Å; Y459-C481 VanDerWaalsContact CD1-SG 3.59Å; Y459-C481 HydrophobicContact CD2-CB 3.8Å; Y459-C481 HydrophobicContact CE1-CB 3.82Å; Y459-C481 WeakPolarHBondContact CE1-SG 3.45Å; Y459-C481 HydrophobicContact CE2-CB 3.83Å; Y459-C481 HydrophobicContact CG-CB 3.75Å; Y459-N483 PolarHBondContact N-O 2.9Å
460	D	97.6	Very high	95.8	Very high	28 Å²	28	38.3 Å²	38.3	15%	0.15	19%	0.193	C	C	.	.	H	α-helix	trans	-68.6	-39.3	174.5	-70.3	-2.4	0	0	0	110.4	D458 V462 A463 S464 T485 G488	D458-D460 WeakPolarHBondContact OD1-CA 3.48Å; D458-D460 WeakPolarHBondContact OD1-CB 3.21Å; D458-D460 PolarHBondContact OD1-N 3.24Å; D460-V462 VanDerWaalsContact C-N 3.31Å; D460-V462 PolarHBondContact O-N 3.42Å; D460-A463 WeakPolarHBondContact O-CB 3.38Å; D460-A463 PolarHBondContact O-N 3.11Å; D460-S464 WeakPolarHBondContact O-CB 3.15Å; D460-S464 PolarHBondContact O-N 3.17Å; D460-T485 VanDerWaalsContact CG-OG1 3.32Å; D460-T485 PolarHBondContact OD1-N 2.82Å; D460-T485 PolarHBondContact OD1-OG1 2.95Å; D460-T485 WeakPolarHBondContact OD2-CB 3.39Å; D460-T485 WeakPolarHBondContact OD2-CG2 3.3Å; D460-T485 PolarHBondContact OD2-OG1 2.98Å; D460-G488 WeakPolarHBondContact OD1-CA 3.31Å
461	V	97.7	Very high	95.7	Very high	55 Å²	55	46 Å²	46	33%	0.333	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-40.2	174.5	178	0	0	0	0	110.9	L436 D458 S464 M465	L436-V461 HydrophobicContact CD1-CG1 3.93Å; L436-V461 HydrophobicContact CD2-CG1 3.82Å; D458-V461 HydrophobicContact CB-CG2 4.23Å; D458-V461 PolarHBondContact OD1-N 3.2Å; D458-V461 WeakPolarHBondContact OD2-CG2 3.29Å; V461-S464 PolarHBondContact O-N 3.27Å; V461-M465 WeakPolarHBondContact O-CG 3.43Å; V461-M465 PolarHBondContact O-N 3.2Å
462	V	97.8	Very high	95.7	Very high	1 Å²	1	49 Å²	49	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-64.4	-44.8	174.7	179.3	0	0	0	0	110.6	I435 L436 L439 L450 I456 Y459 D460 S464 M465 L466	I435-V462 HydrophobicContact CG1-CG1 4.45Å; I435-V462 HydrophobicContact CG2-CG2 4.06Å; L436-V462 HydrophobicContact CD2-CG2 4.25Å; L439-V462 HydrophobicContact CD1-CG1 3.98Å; L450-V462 HydrophobicContact CD1-CG1 3.99Å; I456-V462 HydrophobicContact CG2-CG2 4Å; Y459-V462 PolarHBondContact O-N 2.99Å; D460-V462 VanDerWaalsContact C-N 3.31Å; D460-V462 PolarHBondContact O-N 3.42Å; V462-S464 PolarHBondContact O-N 3.39Å; V462-M465 PolarHBondContact O-N 3.15Å; V462-L466 HydrophobicContact CG1-CD1 4.18Å; V462-L466 WeakPolarHBondContact O-CG 3.49Å; V462-L466 PolarHBondContact O-N 2.62Å
463	A	98.1	Very high	96	Very high	2 Å²	2	48.3 Å²	48.3	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-43.8	176.5	0	0	0	0	0	112.7	Y459 D460 L466 A467 L484 G488 L492	Y459-A463 VanDerWaalsContact O-CB 3.3Å; Y459-A463 WeakPolarHBondContact O-CB 3.22Å; Y459-A463 PolarHBondContact O-N 3.34Å; D460-A463 WeakPolarHBondContact O-CB 3.38Å; D460-A463 PolarHBondContact O-N 3.11Å; A463-L466 PolarHBondContact O-N 3.35Å; A463-A467 WeakPolarHBondContact O-CB 3.41Å; A463-A467 PolarHBondContact O-N 2.77Å; A463-L484 HydrophobicContact CB-CD1 4.17Å; A463-G488 WeakPolarHBondContact CB-O 3.35Å; A463-L492 HydrophobicContact CB-CB 4.04Å
464	S	97.9	Very high	96.2	Very high	33 Å²	33	48.9 Å²	48.9	23%	0.231	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-45	174.3	-179.8	0	0	0	0	112	D460 V461 V462 L466 A467 T468 E491	D460-S464 WeakPolarHBondContact O-CB 3.15Å; D460-S464 PolarHBondContact O-N 3.17Å; V461-S464 PolarHBondContact O-N 3.27Å; V462-S464 PolarHBondContact O-N 3.39Å; S464-L466 PolarHBondContact O-N 2.9Å; S464-A467 PolarHBondContact O-N 3.28Å; S464-T468 WeakPolarHBondContact O-CG2 3.5Å; S464-T468 PolarHBondContact O-N 2.75Å; S464-T468 PolarHBondContact O-OG1 3.03Å; S464-E491 WeakPolarHBondContact CA-OE1 3.17Å; S464-E491 VanDerWaalsContact CB-CD 3.49Å; S464-E491 WeakPolarHBondContact CB-OE1 3.37Å; S464-E491 PolarHBondContact OG-OE1 3.07Å
465	M	98	Very high	96.8	Very high	37 Å²	37	45 Å²	45	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-40.6	176	-78	-60.1	-64.8	0	0	112.6	L436 L439 T440 V461 V462 T468 R469	L436-M465 HydrophobicContact CD2-CB 4.1Å; L436-M465 HydrophobicContact CD2-CG 3.59Å; L439-M465 HydrophobicContact CB-CB 4.47Å; L439-M465 HydrophobicContact CD1-CB 3.99Å; T440-M465 VanDerWaalsContact OG1-CE 3.23Å; T440-M465 WeakPolarHBondContact OG1-CE 3.1Å; V461-M465 WeakPolarHBondContact O-CG 3.43Å; V461-M465 PolarHBondContact O-N 3.2Å; V462-M465 PolarHBondContact O-N 3.15Å; M465-T468 PolarHBondContact O-N 3.12Å; M465-T468 PolarHBondContact O-OG1 3.1Å; M465-T468 VanDerWaalsContact O-OG1 3.12Å; M465-R469 HydrophobicContact CE-CG 3.82Å; M465-R469 WeakPolarHBondContact O-CB 3.38Å; M465-R469 PolarHBondContact O-N 3.3Å
466	L	98.2	Very high	97	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-49.2	173.4	-73.2	168.2	0	0	0	111.1	L439 L448 V462 A463 S464 T468 R469 C470 L473 L476 L492 C496	L439-L466 HydrophobicContact CD1-CD2 3.85Å; L439-L466 HydrophobicContact CD1-CG 3.79Å; L439-L466 HydrophobicContact CD2-CD2 3.52Å; L439-L466 HydrophobicContact CD2-CG 4.4Å; L439-L466 HydrophobicContact CG-CD2 4.31Å; L448-L466 HydrophobicContact CD2-CD1 4.33Å; L448-L466 HydrophobicContact CD2-CD2 3.8Å; V462-L466 HydrophobicContact CG1-CD1 4.18Å; V462-L466 WeakPolarHBondContact O-CG 3.49Å; V462-L466 PolarHBondContact O-N 2.62Å; A463-L466 PolarHBondContact O-N 3.35Å; S464-L466 PolarHBondContact O-N 2.9Å; L466-T468 VanDerWaalsContact C-N 3.25Å; L466-T468 PolarHBondContact O-N 3.41Å; L466-R469 PolarHBondContact O-N 2.81Å; L466-C470 HydrophobicContact CD2-CB 4.06Å; L466-C470 CarbonylContact O-C 3.45Å; L466-C470 WeakPolarHBondContact O-CA 3.44Å; L466-C470 PolarHBondContact O-N 3.45Å; L466-L473 HydrophobicContact CD1-CD2 4.46Å; L466-L473 HydrophobicContact CD2-CD2 4.16Å; L466-L476 HydrophobicContact CD1-CD1 4.02Å; L466-L476 HydrophobicContact CD1-CD2 3.97Å; L466-L492 HydrophobicContact CB-CD1 3.78Å; L466-L492 HydrophobicContact CD1-CD1 4.01Å; L466-C496 PolarHBondContact O-SG 3.2Å
467	A	97.6	Very high	97.2	Very high	7 Å²	7	40.5 Å²	40.5	6%	0.058	20%	0.203	C	C	.	.	H	α-helix	trans	-58.5	-36.3	-179.7	0	0	0	0	0	113	A463 S464 E491 G495	A463-A467 WeakPolarHBondContact O-CB 3.41Å; A463-A467 PolarHBondContact O-N 2.77Å; S464-A467 PolarHBondContact O-N 3.28Å; A467-E491 HydrophobicContact CB-CG 4.24Å; A467-E491 VanDerWaalsContact CB-O 3.28Å; A467-E491 WeakPolarHBondContact CB-O 3.24Å; A467-G495 WeakPolarHBondContact O-CA 3.32Å
468	T	97.4	Very high	97.4	Very high	59 Å²	59	33.6 Å²	33.6	36%	0.362	17%	0.171	S	C	.	.	H	α-helix	trans	-85.7	-38	-176.9	54.3	0	0	0	0	113.2	S464 M465 L466	S464-T468 WeakPolarHBondContact O-CG2 3.5Å; S464-T468 PolarHBondContact O-N 2.75Å; S464-T468 PolarHBondContact O-OG1 3.03Å; M465-T468 PolarHBondContact O-N 3.12Å; M465-T468 PolarHBondContact O-OG1 3.1Å; M465-T468 VanDerWaalsContact O-OG1 3.12Å; L466-T468 VanDerWaalsContact C-N 3.25Å; L466-T468 PolarHBondContact O-N 3.41Å
469	R	96.9	Very high	97.3	Very high	140 Å²	140	31 Å²	31	53%	0.528	16%	0.156	S	C	.	.	H	α-helix	trans	-104.6	-37	-171.5	-57.1	-59	-177.6	173	0.5	114.4	L439 M465 L466	L439-R469 WeakPolarHBondContact O-CB 3.17Å; M465-R469 HydrophobicContact CE-CG 3.82Å; M465-R469 WeakPolarHBondContact O-CB 3.38Å; M465-R469 PolarHBondContact O-N 3.3Å; L466-R469 PolarHBondContact O-N 2.81Å
470	C	96.7	Very high	97	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.			trans	-108.2	54	-169.8	-60.9	0	0	0	0	111.9	L466 S472 L473	L466-C470 HydrophobicContact CD2-CB 4.06Å; L466-C470 CarbonylContact O-C 3.45Å; L466-C470 WeakPolarHBondContact O-CA 3.44Å; L466-C470 PolarHBondContact O-N 3.45Å; C470-S472 PolarHBondContact O-N 3.11Å; C470-S472 VanDerWaalsContact O-N 3.08Å; C470-L473 VanDerWaalsContact O-CB 3.23Å; C470-L473 WeakPolarHBondContact O-CB 3.4Å; C470-L473 PolarHBondContact O-N 3.33Å
471	R	95.9	Very high	96.7	Very high	162 Å²	162	30.9 Å²	30.9	61%	0.611	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.4	-174.8	-62.7	-173.4	-178	130.2	-0.3	115	L473	R471-L473 VanDerWaalsContact C-N 3.31Å
472	S	96.2	Very high	95.9	Very high	61 Å²	61	34.6 Å²	34.6	43%	0.427	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	13	174.8	-58.4	0	0	0	0	113.1	C470 C474	C470-S472 PolarHBondContact O-N 3.11Å; C470-S472 VanDerWaalsContact O-N 3.08Å; S472-C474 PolarHBondContact O-N 2.97Å; S472-C474 PolarHBondContact O-SG 3.05Å; S472-C474 VanDerWaalsContact O-SG 3.4Å
473	L	98.1	Very high	95.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.183	C	C	.	.			trans	-62.6	123.2	178.6	-166.2	71.1	0	0	0	110.7	I445 L448 L466 C470 R471 L476 C496 M498 L499	I445-L473 HydrophobicContact CG2-CD1 3.89Å; L448-L473 HydrophobicContact CB-CD1 4.25Å; L466-L473 HydrophobicContact CD1-CD2 4.46Å; L466-L473 HydrophobicContact CD2-CD2 4.16Å; C470-L473 VanDerWaalsContact O-CB 3.23Å; C470-L473 WeakPolarHBondContact O-CB 3.4Å; C470-L473 PolarHBondContact O-N 3.33Å; R471-L473 VanDerWaalsContact C-N 3.31Å; L473-L476 HydrophobicContact CD2-CB 4Å; L473-L476 HydrophobicContact CD2-CD1 4.33Å; L473-L476 HydrophobicContact CD2-CD2 4.17Å; L473-L476 HydrophobicContact CD2-CG 4.39Å; L473-C496 HydrophobicContact CB-CB 4.28Å; L473-C496 HydrophobicContact CD2-CB 4.4Å; L473-M498 CarbonylContact O-C 3.01Å; L473-L499 HydrophobicContact CB-CD2 4.38Å; L473-L499 HydrophobicContact CD2-CD2 3.96Å; L473-L499 HydrophobicContact CG-CD2 3.85Å; L473-L499 PolarHBondContact O-N 2.87Å; L473-L499 VanDerWaalsContact O-N 3.14Å
474	C	97.7	Very high	95.4	Very high	17 Å²	17	38.5 Å²	38.5	12%	0.115	18%	0.182	C	C	.	.			trans	-108.1	-30.5	-179.2	-65	0	0	0	0	112.5	R446 S472 E500 E501	R446-C474 WeakPolarHBondContact O-CA 3.46Å; R446-C474 PolarHBondContact O-N 2.9Å; S472-C474 PolarHBondContact O-N 2.97Å; S472-C474 PolarHBondContact O-SG 3.05Å; S472-C474 VanDerWaalsContact O-SG 3.4Å; C474-E500 PolarHBondContact O-N 2.86Å; C474-E501 PolarHBondContact O-N 2.84Å
475	S	98.2	Very high	95.4	Very high	12 Å²	12	39 Å²	39	8%	0.084	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	131.2	179.7	-174.7	0	0	0	0	110.8	S104 R446 H447 L448 E501	S104-S475 WeakPolarHBondContact CB-OG 3.47Å; R446-S475 PolarHBondContact O-N 3.41Å; H447-S475 WeakPolarHBondContact CA-O 3.32Å; H447-S475 VanDerWaalsContact ND1-CB 3.29Å; H447-S475 WeakPolarHBondContact ND1-CB 3.48Å; L448-S475 PolarHBondContact N-O 3.27Å; S475-E501 WeakPolarHBondContact CA-O 3.28Å; S475-E501 WeakPolarHBondContact CB-OE2 3.39Å; S475-E501 WeakPolarHBondContact OG-CB 3.49Å; S475-E501 PolarHBondContact OG-OE2 2.83Å
476	L	98.3	Very high	95.3	Very high	2 Å²	2	40 Å²	40	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	125.2	176.4	-176.3	65.7	0	0	0	111	L448 L466 L473 L478 L492 L499 E501 L502 D503	L448-L476 HydrophobicContact CB-CD1 3.91Å; L448-L476 HydrophobicContact CD2-CD1 3.98Å; L448-L476 HydrophobicContact CG-CD1 4.07Å; L448-L476 WeakPolarHBondContact O-CA 3.33Å; L466-L476 HydrophobicContact CD1-CD1 4.02Å; L466-L476 HydrophobicContact CD1-CD2 3.97Å; L473-L476 HydrophobicContact CD2-CB 4Å; L473-L476 HydrophobicContact CD2-CD1 4.33Å; L473-L476 HydrophobicContact CD2-CD2 4.17Å; L473-L476 HydrophobicContact CD2-CG 4.39Å; L476-L478 HydrophobicContact CD1-CD2 4.04Å; L476-L478 HydrophobicContact CD1-CG 4.33Å; L476-L478 HydrophobicContact CD2-CD1 3.78Å; L476-L478 HydrophobicContact CD2-CD2 4.28Å; L476-L478 HydrophobicContact CD2-CG 3.88Å; L476-L478 HydrophobicContact CG-CD1 4.33Å; L476-L478 HydrophobicContact CG-CD2 4.14Å; L476-L478 HydrophobicContact CG-CG 3.86Å; L476-L492 HydrophobicContact CD2-CD1 3.95Å; L476-L492 HydrophobicContact CD2-CD2 3.54Å; L476-L492 HydrophobicContact CD2-CG 4.36Å; L476-L499 HydrophobicContact CB-CD2 3.99Å; L476-E501 PolarHBondContact N-O 3.27Å; L476-L502 HydrophobicContact CB-CD1 4.1Å; L476-L502 HydrophobicContact CD2-CD1 4.19Å; L476-L502 HydrophobicContact CG-CD1 4.37Å; L476-L502 WeakPolarHBondContact O-CA 3.46Å; L476-D503 PolarHBondContact O-N 3.25Å
477	D	97.3	Very high	95.3	Very high	17 Å²	17	48.6 Å²	48.6	9%	0.091	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	110.9	175.4	175.7	-3.5	0	0	0	110.2	R93 L448 N449 L450 G451 W479 D503	R93-D477 IonicContact CZ-OD1 3.44Å; R93-D477 IonicContact CZ-OD2 2.68Å; R93-D477 IonicContact NH1-OD1 3.12Å; R93-D477 IonicContact NH1-OD2 3.58Å; R93-D477 PolarHBondContact NH1-OD2 3.18Å; R93-D477 IonicContact NH2-OD1 3.6Å; R93-D477 PolarHBondContact NH2-OD1 3.04Å; R93-D477 IonicContact NH2-OD2 3.5Å; R93-D477 PolarHBondContact NH2-OD2 3.43Å; L448-D477 PolarHBondContact O-N 3.03Å; N449-D477 HydrophobicContact CB-CB 4.13Å; N449-D477 PolarHBondContact ND2-OD2 2.82Å; N449-D477 PolarHBondContact OD1-OD2 3.32Å; L450-D477 PolarHBondContact N-O 3.06Å; G451-D477 PolarHBondContact N-O 3.35Å; D477-W479 VanDerWaalsContact OD1-CB 3.25Å; D477-W479 WeakPolarHBondContact OD1-CB 3.28Å; D477-W479 PolarHBondContact OD1-N 2.77Å; D477-D503 HydrophobicContact CB-CB 4.36Å
478	L	96.9	Very high	95.3	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	22%	0.219	C	C	.	.			trans	-115.7	32.6	177.7	-62.2	-176.3	0	0	0	111.1	L450 Y459 L476 R480 C481 L484 D503 L504 C507	L450-L478 HydrophobicContact CB-CD2 4.25Å; L450-L478 HydrophobicContact CD1-CD2 4.25Å; Y459-L478 HydrophobicContact CD1-CD2 4.19Å; Y459-L478 HydrophobicContact CE1-CD2 4.24Å; L476-L478 HydrophobicContact CD1-CD2 4.04Å; L476-L478 HydrophobicContact CD1-CG 4.33Å; L476-L478 HydrophobicContact CD2-CD1 3.78Å; L476-L478 HydrophobicContact CD2-CD2 4.28Å; L476-L478 HydrophobicContact CD2-CG 3.88Å; L476-L478 HydrophobicContact CG-CD1 4.33Å; L476-L478 HydrophobicContact CG-CD2 4.14Å; L476-L478 HydrophobicContact CG-CG 3.86Å; L478-R480 PolarHBondContact O-N 2.87Å; L478-R480 VanDerWaalsContact O-N 3.14Å; L478-C481 WeakPolarHBondContact CA-SG 3.22Å; L478-C481 HydrophobicContact CB-CB 4.06Å; L478-C481 WeakPolarHBondContact CB-SG 3.27Å; L478-C481 WeakPolarHBondContact O-CB 3.19Å; L478-C481 PolarHBondContact O-N 3.13Å; L478-C481 VanDerWaalsContact O-N 3.1Å; L478-C481 PolarHBondContact O-SG 3.28Å; L478-L484 HydrophobicContact CD1-CD2 3.75Å; L478-D503 CarbonylContact C-O 3.15Å; L478-D503 WeakPolarHBondContact CA-O 3.48Å; L478-D503 WeakPolarHBondContact CB-O 3.22Å; L478-D503 PolarHBondContact N-O 3.1Å; L478-L504 HydrophobicContact CB-CD2 4.26Å; L478-L504 HydrophobicContact CD1-CD2 4.12Å; L478-C507 PolarHBondContact O-SG 3.27Å; L478-C507 VanDerWaalsContact O-SG 3.33Å
479	W	93.8	Very high	95.3	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.027	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	122.7	176.3	179.4	-91.1	0	0	0	111	Y60 R93 G451 S452 D477 G505 W506 T533	Y60-W479 HydrophobicContact CD2-CH2 4.09Å; Y60-W479 HydrophobicContact CD2-CZ2 4.07Å; Y60-W479 AromaticContact CE2-CH2 3.5Å; Y60-W479 HydrophobicContact CE2-CH2 3.5Å; Y60-W479 VanDerWaalsContact CE2-CH2 3.5Å; Y60-W479 AromaticContact CE2-CZ2 3.89Å; Y60-W479 HydrophobicContact CE2-CZ2 3.89Å; Y60-W479 HydrophobicContact CG-CZ2 4.45Å; Y60-W479 AromaticContact CZ-CH2 3.81Å; R93-W479 VanDerWaalsContact NH2-CB 3.31Å; G451-W479 CarbonylContact C-O 3.56Å; G451-W479 WeakPolarHBondContact CA-O 3.24Å; S452-W479 PolarHBondContact N-O 3.43Å; D477-W479 VanDerWaalsContact OD1-CB 3.25Å; D477-W479 WeakPolarHBondContact OD1-CB 3.28Å; D477-W479 PolarHBondContact OD1-N 2.77Å; W479-G505 WeakPolarHBondContact CA-O 3.2Å; W479-W506 AromaticContact CE2-CD1 3.6Å; W479-W506 AromaticContact CH2-CD1 3.35Å; W479-W506 AromaticContact CH2-NE1 3.42Å; W479-W506 AromaticContact CZ2-CD1 3.21Å; W479-W506 HydrophobicContact CZ2-CG 4.4Å; W479-W506 AromaticContact CZ2-NE1 3.35Å; W479-W506 AromaticContact CZ3-CD1 3.85Å; W479-T533 HydrophobicContact CH2-CG2 3.84Å; W479-T533 HydrophobicContact CZ3-CG2 4.03Å; W479-T533 WeakPolarHBondContact CZ3-OG1 3.29Å
480	R	91.5	Very high	95.4	Very high	31 Å²	31	41 Å²	41	12%	0.117	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	32.9	-177.8	-67.8	179.5	171.2	145.1	3.1	116	Y60 G61 S62 L478 R482 G505 W506	Y60-R480 PolarHBondContact O-NH1 3.37Å; Y60-R480 PolarHBondContact O-NH2 3.02Å; G61-R480 PolarHBondContact O-NH1 3.23Å; S62-R480 VanDerWaalsContact N-CZ 3.3Å; S62-R480 VanDerWaalsContact N-NH1 3.11Å; S62-R480 VanDerWaalsContact N-NH2 3.17Å; L478-R480 PolarHBondContact O-N 2.87Å; L478-R480 VanDerWaalsContact O-N 3.14Å; R480-R482 PolarHBondContact O-N 2.94Å; R480-G505 PolarHBondContact N-O 3.43Å; R480-W506 HydrophobicContact CB-CB 4.47Å; R480-W506 HydrophobicContact CG-CB 3.48Å; R480-W506 VanDerWaalsContact CG-CB 3.48Å; R480-W506 HydrophobicContact CG-CG 4.1Å
481	C	89.9	Confident	95.5	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.			trans	-76.2	92.6	168.3	-63.6	0	0	0	0	109.9	Y459 L478 N483 L484	Y459-C481 HydrophobicContact CD1-CB 3.77Å; Y459-C481 VanDerWaalsContact CD1-SG 3.59Å; Y459-C481 HydrophobicContact CD2-CB 3.8Å; Y459-C481 HydrophobicContact CE1-CB 3.82Å; Y459-C481 WeakPolarHBondContact CE1-SG 3.45Å; Y459-C481 HydrophobicContact CE2-CB 3.83Å; Y459-C481 HydrophobicContact CG-CB 3.75Å; L478-C481 WeakPolarHBondContact CA-SG 3.22Å; L478-C481 HydrophobicContact CB-CB 4.06Å; L478-C481 WeakPolarHBondContact CB-SG 3.27Å; L478-C481 WeakPolarHBondContact O-CB 3.19Å; L478-C481 PolarHBondContact O-N 3.13Å; L478-C481 VanDerWaalsContact O-N 3.1Å; L478-C481 PolarHBondContact O-SG 3.28Å; C481-N483 PolarHBondContact O-N 3.45Å; C481-L484 HydrophobicContact CB-CB 4.4Å
482	R	81.2	Confident	95.6	Very high	134 Å²	134	36.3 Å²	36.3	51%	0.506	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.4	-170.3	-67.8	-177.5	-179.9	151.2	2.5	115.2	R480 T509	R480-R482 PolarHBondContact O-N 2.94Å; R482-T509 WeakPolarHBondContact O-CG2 3.49Å
483	N	89.6	Confident	95.7	Very high	85 Å²	85	33.4 Å²	33.4	46%	0.455	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	34.6	-171	-63.6	-16.7	0	0	0	111.9	E457 Y459 C481	E457-N483 WeakPolarHBondContact O-CB 3.24Å; E457-N483 PolarHBondContact O-ND2 3.43Å; Y459-N483 PolarHBondContact N-O 2.9Å; C481-N483 PolarHBondContact O-N 3.45Å
484	L	96.3	Very high	95.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.			trans	-94.3	114.6	169.3	177.7	71.3	0	0	0	109	A463 L478 C481 L504 T509 L510	A463-L484 HydrophobicContact CB-CD1 4.17Å; L478-L484 HydrophobicContact CD1-CD2 3.75Å; C481-L484 HydrophobicContact CB-CB 4.4Å; L484-L504 HydrophobicContact CD2-CD2 3.67Å; L484-T509 WeakPolarHBondContact O-CB 3.45Å; L484-T509 PolarHBondContact O-OG1 2.92Å; L484-L510 HydrophobicContact CD2-CD1 4.4Å; L484-L510 HydrophobicContact CG-CD2 4.36Å; L484-L510 WeakPolarHBondContact O-CD2 3.42Å
485	T	97.1	Very high	95.6	Very high	43 Å²	43	36.4 Å²	36.4	26%	0.264	18%	0.177	S	C	.	.			trans	-91.2	171.2	179.8	80.3	0	0	0	0	112.1	D460 R487 G488 L489 L510	D460-T485 VanDerWaalsContact CG-OG1 3.32Å; D460-T485 PolarHBondContact OD1-N 2.82Å; D460-T485 PolarHBondContact OD1-OG1 2.95Å; D460-T485 WeakPolarHBondContact OD2-CB 3.39Å; D460-T485 WeakPolarHBondContact OD2-CG2 3.3Å; D460-T485 PolarHBondContact OD2-OG1 2.98Å; T485-R487 PolarHBondContact O-N 3.35Å; T485-R487 PolarHBondContact OG1-N 3.39Å; T485-G488 PolarHBondContact O-N 3.47Å; T485-G488 PolarHBondContact OG1-N 3.32Å; T485-L489 PolarHBondContact O-N 3.47Å; T485-L510 WeakPolarHBondContact O-CD2 3.45Å
486	D	97	Very high	95.6	Very high	57 Å²	57	35.9 Å²	35.9	31%	0.305	17%	0.173	S	C	.	.	H	α-helix	trans	-55.9	-37.5	171.5	50.7	-79.1	0	0	0	112.5	L489 V490 T514 C516	D486-L489 PolarHBondContact O-N 2.96Å; D486-V490 VanDerWaalsContact O-CG2 3.28Å; D486-V490 WeakPolarHBondContact O-CG2 3.21Å; D486-V490 PolarHBondContact O-N 2.63Å; D486-T514 HydrophobicContact CB-CG2 3.99Å; D486-T514 WeakPolarHBondContact CB-OG1 3.38Å; D486-C516 HydrophobicContact CB-CB 3.78Å
487	R	97.3	Very high	95.5	Very high	182 Å²	182	41 Å²	41	69%	0.687	19%	0.193	S	C	*	.	H	α-helix	trans	-63.4	-49.3	176.5	179.7	-177	169.4	-179.8	-2.8	111.4	T485 L489 V490 E491	T485-R487 PolarHBondContact O-N 3.35Å; T485-R487 PolarHBondContact OG1-N 3.39Å; R487-L489 VanDerWaalsContact C-N 3.29Å; R487-L489 PolarHBondContact O-N 3.23Å; R487-V490 PolarHBondContact O-N 3.26Å; R487-E491 WeakPolarHBondContact O-CB 3.42Å; R487-E491 PolarHBondContact O-N 3.14Å
488	G	98	Very high	95.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-41.5	177.8	0	0	0	0	0	111.8	D460 A463 T485 E491 L492	D460-G488 WeakPolarHBondContact OD1-CA 3.31Å; A463-G488 WeakPolarHBondContact CB-O 3.35Å; T485-G488 PolarHBondContact O-N 3.47Å; T485-G488 PolarHBondContact OG1-N 3.32Å; G488-E491 PolarHBondContact O-N 3.26Å; G488-L492 WeakPolarHBondContact O-CB 3.41Å; G488-L492 PolarHBondContact O-N 3.34Å
489	L	98.4	Very high	95.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-46.6	175.9	-177.3	60	0	0	0	112.4	T485 D486 R487 E491 L492 V493 L504 L510 C516 F517 L520	T485-L489 PolarHBondContact O-N 3.47Å; D486-L489 PolarHBondContact O-N 2.96Å; R487-L489 VanDerWaalsContact C-N 3.29Å; R487-L489 PolarHBondContact O-N 3.23Å; L489-E491 VanDerWaalsContact C-N 3.31Å; L489-E491 PolarHBondContact O-N 3.47Å; L489-L492 HydrophobicContact CD1-CD2 4.38Å; L489-L492 WeakPolarHBondContact O-CB 3.3Å; L489-L492 PolarHBondContact O-N 2.76Å; L489-V493 HydrophobicContact CD1-CG1 4.18Å; L489-V493 WeakPolarHBondContact O-CG1 3.44Å; L489-V493 WeakPolarHBondContact O-CG2 3.31Å; L489-V493 PolarHBondContact O-N 3.16Å; L489-L504 HydrophobicContact CD1-CD1 3.78Å; L489-L504 HydrophobicContact CD1-CD2 4.26Å; L489-L504 HydrophobicContact CD2-CD1 4.04Å; L489-L510 HydrophobicContact CB-CD2 4.08Å; L489-L510 HydrophobicContact CD2-CD1 4.13Å; L489-L510 HydrophobicContact CD2-CD2 4.03Å; L489-C516 HydrophobicContact CD2-CB 4.19Å; L489-F517 HydrophobicContact CD2-CD1 4.34Å; L489-F517 HydrophobicContact CD2-CE1 4.31Å; L489-L520 HydrophobicContact CD1-CD1 4.15Å; L489-L520 HydrophobicContact CD2-CD1 4.21Å
490	V	98.3	Very high	95.7	Very high	48 Å²	48	45 Å²	45	29%	0.291	21%	0.211	S	C	.	.	H	α-helix	trans	-62.8	-39.8	178.8	170.4	0	0	0	0	111.2	D486 R487 V493 T494 C516 Q519	D486-V490 VanDerWaalsContact O-CG2 3.28Å; D486-V490 WeakPolarHBondContact O-CG2 3.21Å; D486-V490 PolarHBondContact O-N 2.63Å; R487-V490 PolarHBondContact O-N 3.26Å; V490-V493 WeakPolarHBondContact O-CG2 3.31Å; V490-T494 VanDerWaalsContact O-CB 3.31Å; V490-T494 WeakPolarHBondContact O-CB 3.23Å; V490-T494 PolarHBondContact O-N 3.32Å; V490-T494 VanDerWaalsContact O-N 3.1Å; V490-T494 PolarHBondContact O-OG1 2.95Å; V490-C516 HydrophobicContact CG2-CB 4.09Å; V490-Q519 HydrophobicContact CG2-CB 4.2Å; V490-Q519 HydrophobicContact CG2-CG 4.46Å
491	E	98.1	Very high	96	Very high	62 Å²	62	44 Å²	44	29%	0.29	21%	0.208	S	C	.	.	H	α-helix	trans	-64.6	-46.5	176.1	-170.9	169.2	173.1	0	0	111.6	S464 A467 R487 G488 L489 V493 T494 G495	S464-E491 WeakPolarHBondContact CA-OE1 3.17Å; S464-E491 VanDerWaalsContact CB-CD 3.49Å; S464-E491 WeakPolarHBondContact CB-OE1 3.37Å; S464-E491 PolarHBondContact OG-OE1 3.07Å; A467-E491 HydrophobicContact CB-CG 4.24Å; A467-E491 VanDerWaalsContact CB-O 3.28Å; A467-E491 WeakPolarHBondContact CB-O 3.24Å; R487-E491 WeakPolarHBondContact O-CB 3.42Å; R487-E491 PolarHBondContact O-N 3.14Å; G488-E491 PolarHBondContact O-N 3.26Å; L489-E491 VanDerWaalsContact C-N 3.31Å; L489-E491 PolarHBondContact O-N 3.47Å; E491-V493 PolarHBondContact O-N 3.06Å; E491-T494 WeakPolarHBondContact O-CB 3.38Å; E491-T494 PolarHBondContact O-N 2.78Å; E491-G495 PolarHBondContact O-N 3.06Å
492	L	98.4	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-52.4	-56.5	175.9	177.5	68.3	0	0	0	111.7	A463 L466 L476 G488 L489 T494 G495 C496	A463-L492 HydrophobicContact CB-CB 4.04Å; L466-L492 HydrophobicContact CB-CD1 3.78Å; L466-L492 HydrophobicContact CD1-CD1 4.01Å; L476-L492 HydrophobicContact CD2-CD1 3.95Å; L476-L492 HydrophobicContact CD2-CD2 3.54Å; L476-L492 HydrophobicContact CD2-CG 4.36Å; G488-L492 WeakPolarHBondContact O-CB 3.41Å; G488-L492 PolarHBondContact O-N 3.34Å; L489-L492 HydrophobicContact CD1-CD2 4.38Å; L489-L492 WeakPolarHBondContact O-CB 3.3Å; L489-L492 PolarHBondContact O-N 2.76Å; L492-T494 PolarHBondContact O-N 2.78Å; L492-G495 PolarHBondContact O-N 2.92Å; L492-C496 HydrophobicContact CD1-CB 4.35Å; L492-C496 WeakPolarHBondContact O-CB 3.27Å; L492-C496 PolarHBondContact O-N 2.89Å
493	V	98.1	Very high	97.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-71.2	-20.2	-175.2	-56.6	0	0	0	0	112.6	L489 V490 E491 L520 R523 L524	L489-V493 HydrophobicContact CD1-CG1 4.18Å; L489-V493 WeakPolarHBondContact O-CG1 3.44Å; L489-V493 WeakPolarHBondContact O-CG2 3.31Å; L489-V493 PolarHBondContact O-N 3.16Å; V490-V493 WeakPolarHBondContact O-CG2 3.31Å; E491-V493 PolarHBondContact O-N 3.06Å; V493-L520 HydrophobicContact CG1-CB 4.09Å; V493-L520 HydrophobicContact CG1-CD1 4.44Å; V493-L520 HydrophobicContact CG1-CG 4Å; V493-R523 HydrophobicContact CB-CB 4.18Å; V493-R523 HydrophobicContact CG2-CB 4.1Å; V493-R523 HydrophobicContact CG2-CG 4.28Å; V493-L524 HydrophobicContact CB-CD1 4.42Å; V493-L524 HydrophobicContact CB-CD2 4.17Å; V493-L524 HydrophobicContact CB-CG 4.19Å; V493-L524 HydrophobicContact CG1-CD1 3.9Å; V493-L524 HydrophobicContact CG1-CD2 4.48Å; V493-L524 HydrophobicContact CG1-CG 4.21Å
494	T	97.4	Very high	97.5	Very high	62 Å²	62	34.3 Å²	34.3	38%	0.38	17%	0.167	S	C	.	.	H	α-helix	trans	-70.9	-39.6	174.3	-64	0	0	0	0	111.6	V490 E491 L492 R497	V490-T494 VanDerWaalsContact O-CB 3.31Å; V490-T494 WeakPolarHBondContact O-CB 3.23Å; V490-T494 PolarHBondContact O-N 3.32Å; V490-T494 VanDerWaalsContact O-N 3.1Å; V490-T494 PolarHBondContact O-OG1 2.95Å; E491-T494 WeakPolarHBondContact O-CB 3.38Å; E491-T494 PolarHBondContact O-N 2.78Å; L492-T494 PolarHBondContact O-N 2.78Å; T494-R497 PolarHBondContact O-NH1 3.36Å
495	G	97.1	Very high	97.4	Very high	19 Å²	19	34.3 Å²	34.3	20%	0.196	17%	0.167	C	C	.	.	H	α-helix	trans	-88	-41.2	179.3	0	0	0	0	0	114.6	A467 E491 L492 R497	A467-G495 WeakPolarHBondContact O-CA 3.32Å; E491-G495 PolarHBondContact O-N 3.06Å; L492-G495 PolarHBondContact O-N 2.92Å; G495-R497 PolarHBondContact O-N 2.81Å
496	C	97.8	Very high	97.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.17	C	C	.	.			trans	-96.5	62.8	-173.5	-63.9	0	0	0	0	112.5	L466 L473 L492 M498 L499 L524	L466-C496 PolarHBondContact O-SG 3.2Å; L473-C496 HydrophobicContact CB-CB 4.28Å; L473-C496 HydrophobicContact CD2-CB 4.4Å; L492-C496 HydrophobicContact CD1-CB 4.35Å; L492-C496 WeakPolarHBondContact O-CB 3.27Å; L492-C496 PolarHBondContact O-N 2.89Å; C496-M498 PolarHBondContact O-N 2.85Å; C496-L499 HydrophobicContact CB-CD1 3.86Å; C496-L499 HydrophobicContact CB-CG 4.08Å; C496-L499 WeakPolarHBondContact O-CD1 3.35Å; C496-L499 WeakPolarHBondContact O-CG 3.15Å; C496-L499 PolarHBondContact O-N 2.86Å; C496-L524 WeakPolarHBondContact O-CD2 3.27Å
497	R	97	Very high	97	Very high	111 Å²	111	33.7 Å²	33.7	42%	0.419	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.7	-173.8	-55.4	178.9	109	115.5	-12	114.8	T494 G495 L499 R523	T494-R497 PolarHBondContact O-NH1 3.36Å; G495-R497 PolarHBondContact O-N 2.81Å; R497-L499 VanDerWaalsContact C-N 3.33Å; R497-R523 VanDerWaalsContact NH2-CD 3.28Å
498	M	96.9	Very high	96.7	Very high	70 Å²	70	29 Å²	29	35%	0.345	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	2.8	178.9	-63.4	-65.2	-69.9	0	0	112.7	L473 C496 E500	L473-M498 CarbonylContact O-C 3.01Å; C496-M498 PolarHBondContact O-N 2.85Å; M498-E500 PolarHBondContact O-N 2.86Å
499	L	97.7	Very high	96.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.163	C	C	.	.			trans	-62	126.1	179.2	-77.5	168.6	0	0	0	111.2	L473 L476 C496 R497 L524	L473-L499 HydrophobicContact CB-CD2 4.38Å; L473-L499 HydrophobicContact CD2-CD2 3.96Å; L473-L499 HydrophobicContact CG-CD2 3.85Å; L473-L499 PolarHBondContact O-N 2.87Å; L473-L499 VanDerWaalsContact O-N 3.14Å; L476-L499 HydrophobicContact CB-CD2 3.99Å; C496-L499 HydrophobicContact CB-CD1 3.86Å; C496-L499 HydrophobicContact CB-CG 4.08Å; C496-L499 WeakPolarHBondContact O-CD1 3.35Å; C496-L499 WeakPolarHBondContact O-CG 3.15Å; C496-L499 PolarHBondContact O-N 2.86Å; R497-L499 VanDerWaalsContact C-N 3.33Å; L499-L524 HydrophobicContact CB-CD1 4.05Å; L499-L524 HydrophobicContact CB-CD2 4.03Å; L499-L524 HydrophobicContact CD1-CD1 4.16Å; L499-L524 HydrophobicContact CD1-CD2 4.35Å
500	E	97.1	Very high	96.3	Very high	40 Å²	40	31.5 Å²	31.5	19%	0.187	16%	0.163	C	C	.	.	S	Bend	trans	-108.6	-25	172	-60.5	-173.4	-162.4	0	0	111	C474 M498 R526 R528 K529	C474-E500 PolarHBondContact O-N 2.86Å; M498-E500 PolarHBondContact O-N 2.86Å; E500-R526 HydrophobicContact CG-CB 4.36Å; E500-R528 HydrophobicContact CB-CG 4.4Å; E500-R528 WeakPolarHBondContact O-CA 3.25Å; E500-R528 PolarHBondContact O-N 2.92Å; E500-R528 WeakPolarHBondContact OE2-CD 3.41Å; E500-R528 IonicContact OE2-NH1 3.36Å; E500-K529 PolarHBondContact O-N 3.34Å
501	E	97.3	Very high	96.2	Very high	11 Å²	11	32.6 Å²	32.6	5%	0.051	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	125.3	-176.6	-57.3	171.6	178.1	0	0	110.3	C102 A103 S104 C474 S475 L476 K529	C102-E501 WeakPolarHBondContact CA-OE1 3.46Å; C102-E501 WeakPolarHBondContact CB-OE1 3.34Å; C102-E501 PolarHBondContact SG-OE1 3.33Å; A103-E501 PolarHBondContact N-OE1 2.83Å; S104-E501 WeakPolarHBondContact CB-OE2 3.15Å; S104-E501 PolarHBondContact OG-OE2 2.79Å; C474-E501 PolarHBondContact O-N 2.84Å; S475-E501 WeakPolarHBondContact CA-O 3.28Å; S475-E501 WeakPolarHBondContact CB-OE2 3.39Å; S475-E501 WeakPolarHBondContact OG-CB 3.49Å; S475-E501 PolarHBondContact OG-OE2 2.83Å; L476-E501 PolarHBondContact N-O 3.27Å; E501-K529 WeakPolarHBondContact CA-O 3.28Å; E501-K529 HydrophobicContact CB-CB 4.42Å; E501-K529 HydrophobicContact CG-CB 4.16Å; E501-K529 HydrophobicContact CG-CD 4.19Å; E501-K529 HydrophobicContact CG-CG 4.31Å
502	L	97.8	Very high	96	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	119.8	179	-178.1	55.3	0	0	0	110.7	L476 L504 L520 L524 L527 K529 L530 F531	L476-L502 HydrophobicContact CB-CD1 4.1Å; L476-L502 HydrophobicContact CD2-CD1 4.19Å; L476-L502 HydrophobicContact CG-CD1 4.37Å; L476-L502 WeakPolarHBondContact O-CA 3.46Å; L502-L504 HydrophobicContact CD1-CD2 4.01Å; L502-L504 HydrophobicContact CD1-CG 4.12Å; L502-L504 HydrophobicContact CD2-CD1 4.01Å; L502-L504 HydrophobicContact CD2-CG 4.32Å; L502-L504 HydrophobicContact CG-CD1 4.14Å; L502-L504 HydrophobicContact CG-CD2 4.35Å; L502-L504 HydrophobicContact CG-CG 3.92Å; L502-L520 HydrophobicContact CD2-CD1 3.68Å; L502-L520 HydrophobicContact CD2-CG 4.34Å; L502-L524 HydrophobicContact CD2-CD1 4.21Å; L502-L527 HydrophobicContact CB-CD1 4.22Å; L502-K529 PolarHBondContact N-O 3.43Å; L502-L530 HydrophobicContact CB-CD1 4.16Å; L502-L530 HydrophobicContact CD2-CD1 4.45Å; L502-L530 HydrophobicContact CG-CD1 4.32Å; L502-L530 WeakPolarHBondContact O-CA 3.41Å; L502-F531 PolarHBondContact O-N 2.97Å
503	D	96.8	Very high	95.9	Very high	15 Å²	15	35.5 Å²	35.5	8%	0.08	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.4	172.8	-171.9	-15.4	0	0	0	109.8	R93 L476 D477 L478 G505 F531	R93-D503 IonicContact CZ-OD2 2.65Å; R93-D503 IonicContact NH2-OD2 3.76Å; R93-D503 PolarHBondContact NH2-OD2 3.38Å; L476-D503 PolarHBondContact O-N 3.25Å; D477-D503 HydrophobicContact CB-CB 4.36Å; L478-D503 CarbonylContact C-O 3.15Å; L478-D503 WeakPolarHBondContact CA-O 3.48Å; L478-D503 WeakPolarHBondContact CB-O 3.22Å; L478-D503 PolarHBondContact N-O 3.1Å; D503-G505 PolarHBondContact OD1-N 2.94Å; D503-F531 HydrophobicContact CB-CB 4.11Å; D503-F531 HydrophobicContact CB-CD2 4.03Å; D503-F531 HydrophobicContact CB-CG 4.43Å
504	L	97.1	Very high	95.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.212	C	C	.	.			trans	-119.3	24.5	175.7	-58.9	169.9	0	0	0	110.7	L478 L484 L489 L502 W506 C507 L510 L520 F531 L532 N535	L478-L504 HydrophobicContact CB-CD2 4.26Å; L478-L504 HydrophobicContact CD1-CD2 4.12Å; L484-L504 HydrophobicContact CD2-CD2 3.67Å; L489-L504 HydrophobicContact CD1-CD1 3.78Å; L489-L504 HydrophobicContact CD1-CD2 4.26Å; L489-L504 HydrophobicContact CD2-CD1 4.04Å; L502-L504 HydrophobicContact CD1-CD2 4.01Å; L502-L504 HydrophobicContact CD1-CG 4.12Å; L502-L504 HydrophobicContact CD2-CD1 4.01Å; L502-L504 HydrophobicContact CD2-CG 4.32Å; L502-L504 HydrophobicContact CG-CD1 4.14Å; L502-L504 HydrophobicContact CG-CD2 4.35Å; L502-L504 HydrophobicContact CG-CG 3.92Å; L504-W506 PolarHBondContact O-N 3.16Å; L504-C507 WeakPolarHBondContact O-CB 3.39Å; L504-C507 PolarHBondContact O-N 2.71Å; L504-C507 PolarHBondContact O-SG 3.03Å; L504-L510 HydrophobicContact CB-CD1 4.17Å; L504-L510 HydrophobicContact CD1-CD1 4.08Å; L504-L510 HydrophobicContact CD2-CD1 4.41Å; L504-L510 HydrophobicContact CG-CD1 4.46Å; L504-L520 HydrophobicContact CD1-CD1 3.97Å; L504-F531 CarbonylContact C-O 3.46Å; L504-F531 PolarHBondContact N-O 3.02Å; L504-L532 HydrophobicContact CB-CD2 4.11Å; L504-L532 HydrophobicContact CD1-CD2 4.09Å; L504-N535 PolarHBondContact O-ND2 3.39Å
505	G	94.7	Very high	95.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	136.1	179.1	0	0	0	0	0	111.3	W479 R480 D503 C507 F531 T533	W479-G505 WeakPolarHBondContact CA-O 3.2Å; R480-G505 PolarHBondContact N-O 3.43Å; D503-G505 PolarHBondContact OD1-N 2.94Å; G505-C507 VanDerWaalsContact C-N 3.33Å; G505-C507 PolarHBondContact O-N 2.99Å; G505-F531 PolarHBondContact N-O 3.4Å; G505-T533 CarbonylContact C-O 3.48Å; G505-T533 WeakPolarHBondContact CA-O 3.4Å
506	W	91.8	Very high	95.9	Very high	86 Å²	86	35.3 Å²	35.3	33%	0.326	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	38.5	-179.9	-61.2	87.2	0	0	0	114.5	Y60 W479 R480 L504 P508 T533 A534	Y60-W506 HydrophobicContact CE1-CZ2 4.3Å; W479-W506 AromaticContact CE2-CD1 3.6Å; W479-W506 AromaticContact CH2-CD1 3.35Å; W479-W506 AromaticContact CH2-NE1 3.42Å; W479-W506 AromaticContact CZ2-CD1 3.21Å; W479-W506 HydrophobicContact CZ2-CG 4.4Å; W479-W506 AromaticContact CZ2-NE1 3.35Å; W479-W506 AromaticContact CZ3-CD1 3.85Å; R480-W506 HydrophobicContact CB-CB 4.47Å; R480-W506 HydrophobicContact CG-CB 3.48Å; R480-W506 VanDerWaalsContact CG-CB 3.48Å; R480-W506 HydrophobicContact CG-CG 4.1Å; L504-W506 PolarHBondContact O-N 3.16Å; W506-P508 WeakPolarHBondContact O-CD 3.4Å; W506-T533 PolarHBondContact N-O 3.46Å; W506-A534 HydrophobicContact CD2-CB 3.66Å; W506-A534 HydrophobicContact CE3-CB 3.79Å; W506-A534 HydrophobicContact CG-CB 4.19Å; W506-A534 HydrophobicContact CH2-CB 4.15Å; W506-A534 HydrophobicContact CZ2-CB 4.03Å; W506-A534 HydrophobicContact CZ3-CB 4.03Å
507	C	93.5	Very high	95.9	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	19%	0.191	C	C	.	.			trans	-100.3	82.1	170.9	-67.8	0	0	0	0	110.7	L478 L504 G505 T509 L510 N535	L478-C507 PolarHBondContact O-SG 3.27Å; L478-C507 VanDerWaalsContact O-SG 3.33Å; L504-C507 WeakPolarHBondContact O-CB 3.39Å; L504-C507 PolarHBondContact O-N 2.71Å; L504-C507 PolarHBondContact O-SG 3.03Å; G505-C507 VanDerWaalsContact C-N 3.33Å; G505-C507 PolarHBondContact O-N 2.99Å; C507-T509 PolarHBondContact O-N 3.04Å; C507-T509 VanDerWaalsContact O-N 3.11Å; C507-L510 HydrophobicContact CB-CD1 3.79Å; C507-L510 HydrophobicContact CB-CG 4.12Å; C507-L510 PolarHBondContact O-N 2.61Å; C507-N535 PolarHBondContact O-OD1 3.26Å; C507-N535 VanDerWaalsContact O-OD1 3.09Å
508	P	90.5	Very high	96	Very high	84 Å²	84	32.4 Å²	32.4	55%	0.545	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-18	-165	29.9	-38.5	0	0	0	114.9	W506 L510 Q511	W506-P508 WeakPolarHBondContact O-CD 3.4Å; P508-L510 VanDerWaalsContact C-N 3.34Å; P508-Q511 PolarHBondContact O-NE2 2.77Å; P508-Q511 VanDerWaalsContact O-NE2 3.13Å
509	T	94.3	Very high	96	Very high	49 Å²	49	32.1 Å²	32.1	30%	0.301	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-17	-178.4	38.5	0	0	0	0	113.2	R482 L484 C507	R482-T509 WeakPolarHBondContact O-CG2 3.49Å; L484-T509 WeakPolarHBondContact O-CB 3.45Å; L484-T509 PolarHBondContact O-OG1 2.92Å; C507-T509 PolarHBondContact O-N 3.04Å; C507-T509 VanDerWaalsContact O-N 3.11Å
510	L	95.4	Very high	96	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	18%	0.179	C	C	.	.			trans	-76.5	129.1	178	-60.4	178.1	0	0	0	111	L484 T485 L489 L504 C507 P508 F517 T537	L484-L510 HydrophobicContact CD2-CD1 4.4Å; L484-L510 HydrophobicContact CG-CD2 4.36Å; L484-L510 WeakPolarHBondContact O-CD2 3.42Å; T485-L510 WeakPolarHBondContact O-CD2 3.45Å; L489-L510 HydrophobicContact CB-CD2 4.08Å; L489-L510 HydrophobicContact CD2-CD1 4.13Å; L489-L510 HydrophobicContact CD2-CD2 4.03Å; L504-L510 HydrophobicContact CB-CD1 4.17Å; L504-L510 HydrophobicContact CD1-CD1 4.08Å; L504-L510 HydrophobicContact CD2-CD1 4.41Å; L504-L510 HydrophobicContact CG-CD1 4.46Å; C507-L510 HydrophobicContact CB-CD1 3.79Å; C507-L510 HydrophobicContact CB-CG 4.12Å; C507-L510 PolarHBondContact O-N 2.61Å; P508-L510 VanDerWaalsContact C-N 3.34Å; L510-F517 HydrophobicContact CB-CE1 4.41Å; L510-F517 HydrophobicContact CB-CE2 4.4Å; L510-F517 HydrophobicContact CB-CZ 3.7Å; L510-F517 HydrophobicContact CD1-CE1 4.16Å; L510-F517 HydrophobicContact CD1-CZ 4.22Å; L510-T537 PolarHBondContact O-OG1 3.17Å
511	Q	94.6	Very high	96.1	Very high	72 Å²	72	30.2 Å²	30.2	34%	0.336	17%	0.17	S	C	.	.			trans	-127.6	122	-174.7	-57.6	-63.4	-59.2	0	0	110.8	P508 S513 T514	P508-Q511 PolarHBondContact O-NE2 2.77Å; P508-Q511 VanDerWaalsContact O-NE2 3.13Å; Q511-S513 PolarHBondContact O-N 3.36Å; Q511-T514 HydrophobicContact CB-CG2 4.14Å; Q511-T514 PolarHBondContact O-N 3.19Å; Q511-T514 VanDerWaalsContact O-N 3.13Å; Q511-T514 PolarHBondContact O-OG1 2.91Å
512	S	95.3	Very high	96.1	Very high	11 Å²	11	35.5 Å²	35.5	8%	0.077	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-52.1	-37.8	175.3	171.3	0	0	0	0	113.4	T514 G515 T537 C539 D542	S512-T514 PolarHBondContact O-N 3.4Å; S512-G515 PolarHBondContact O-N 3.01Å; S512-T537 WeakPolarHBondContact CB-O 3.47Å; S512-T537 PolarHBondContact N-OG1 3.42Å; S512-T537 VanDerWaalsContact N-OG1 3.16Å; S512-C539 PolarHBondContact OG-SG 3Å; S512-D542 WeakPolarHBondContact CB-OD2 3.35Å; S512-D542 VanDerWaalsContact OG-CG 3.28Å; S512-D542 PolarHBondContact OG-OD1 3.34Å; S512-D542 PolarHBondContact OG-OD2 2.83Å
513	S	96.2	Very high	96.1	Very high	111 Å²	111	39.7 Å²	39.7	78%	0.776	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-60	-16.1	-178.9	59.8	0	0	0	0	115	Q511 G515	Q511-S513 PolarHBondContact O-N 3.36Å; S513-G515 VanDerWaalsContact C-N 3.34Å
514	T	96.7	Very high	96.2	Very high	67 Å²	67	39 Å²	39	41%	0.411	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-83.1	-12.3	175.2	66.3	0	0	0	0	112.9	D486 Q511 S512 C516	D486-T514 HydrophobicContact CB-CG2 3.99Å; D486-T514 WeakPolarHBondContact CB-OG1 3.38Å; Q511-T514 HydrophobicContact CB-CG2 4.14Å; Q511-T514 PolarHBondContact O-N 3.19Å; Q511-T514 VanDerWaalsContact O-N 3.13Å; Q511-T514 PolarHBondContact O-OG1 2.91Å; S512-T514 PolarHBondContact O-N 3.4Å; T514-C516 VanDerWaalsContact C-N 3.27Å; T514-C516 PolarHBondContact O-N 2.9Å; T514-C516 WeakPolarHBondContact OG1-CB 3.49Å; T514-C516 PolarHBondContact OG1-N 3.43Å; T514-C516 PolarHBondContact OG1-SG 3.1Å; T514-C516 VanDerWaalsContact OG1-SG 3.38Å
515	G	97.2	Very high	96.1	Very high	11 Å²	11	42.6 Å²	42.6	11%	0.113	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	11	-173.1	0	0	0	0	0	114	S512 S513 F517 Q518 Q519	S512-G515 PolarHBondContact O-N 3.01Å; S513-G515 VanDerWaalsContact C-N 3.34Å; G515-F517 PolarHBondContact O-N 3.29Å; G515-Q518 PolarHBondContact O-N 3.43Å; G515-Q519 WeakPolarHBondContact O-CG 3.26Å; G515-Q519 PolarHBondContact O-N 3.29Å
516	C	97.8	Very high	96.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-37.7	-175.5	66.3	0	0	0	0	113.4	D486 L489 V490 T514 Q519 L520	D486-C516 HydrophobicContact CB-CB 3.78Å; L489-C516 HydrophobicContact CD2-CB 4.19Å; V490-C516 HydrophobicContact CG2-CB 4.09Å; T514-C516 VanDerWaalsContact C-N 3.27Å; T514-C516 PolarHBondContact O-N 2.9Å; T514-C516 WeakPolarHBondContact OG1-CB 3.49Å; T514-C516 PolarHBondContact OG1-N 3.43Å; T514-C516 PolarHBondContact OG1-SG 3.1Å; T514-C516 VanDerWaalsContact OG1-SG 3.38Å; C516-Q519 PolarHBondContact O-N 3.36Å; C516-L520 WeakPolarHBondContact O-CB 3.26Å; C516-L520 PolarHBondContact O-N 3.32Å
517	F	98.1	Very high	96.4	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-70.5	-35.1	176.2	-61.1	-63.4	0	0	0	112.5	L489 L510 G515 L520 A521 L532 N535 I538 D542	L489-F517 HydrophobicContact CD2-CD1 4.34Å; L489-F517 HydrophobicContact CD2-CE1 4.31Å; L510-F517 HydrophobicContact CB-CE1 4.41Å; L510-F517 HydrophobicContact CB-CE2 4.4Å; L510-F517 HydrophobicContact CB-CZ 3.7Å; L510-F517 HydrophobicContact CD1-CE1 4.16Å; L510-F517 HydrophobicContact CD1-CZ 4.22Å; G515-F517 PolarHBondContact O-N 3.29Å; F517-L520 WeakPolarHBondContact O-CB 3.28Å; F517-L520 PolarHBondContact O-N 2.98Å; F517-A521 PolarHBondContact O-N 3.4Å; F517-L532 HydrophobicContact CD1-CD2 4.17Å; F517-L532 HydrophobicContact CE1-CD2 3.77Å; F517-N535 HydrophobicContact CZ-CB 4.47Å; F517-I538 HydrophobicContact CD2-CG1 4.09Å; F517-I538 HydrophobicContact CE2-CG1 3.82Å; F517-I538 HydrophobicContact CZ-CD1 4.42Å; F517-I538 HydrophobicContact CZ-CG1 4.18Å; F517-D542 HydrophobicContact CB-CB 4.17Å
518	Q	98.4	Very high	96.6	Very high	46 Å²	46	48.8 Å²	48.8	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-66.5	-41.1	173.6	-63.5	166.9	-29.1	0	0	111.3	G515 A521 R522 S541 E545	G515-Q518 PolarHBondContact O-N 3.43Å; Q518-A521 PolarHBondContact O-N 3.25Å; Q518-R522 VanDerWaalsContact O-CG 3.3Å; Q518-R522 WeakPolarHBondContact O-CG 3.32Å; Q518-R522 PolarHBondContact O-N 3.01Å; Q518-S541 PolarHBondContact NE2-OG 3.36Å; Q518-E545 HydrophobicContact CB-CB 4.3Å; Q518-E545 HydrophobicContact CB-CG 3.92Å; Q518-E545 HydrophobicContact CG-CB 4.04Å; Q518-E545 HydrophobicContact CG-CG 4.21Å
519	Q	98	Very high	96.9	Very high	63 Å²	63	44.9 Å²	44.9	29%	0.294	22%	0.222	S	C	.	.	H	α-helix	trans	-63.7	-41.4	173.2	-67.7	-62.4	-34	0	0	111.6	V490 G515 C516 R522 R523	V490-Q519 HydrophobicContact CG2-CB 4.2Å; V490-Q519 HydrophobicContact CG2-CG 4.46Å; G515-Q519 WeakPolarHBondContact O-CG 3.26Å; G515-Q519 PolarHBondContact O-N 3.29Å; C516-Q519 PolarHBondContact O-N 3.36Å; Q519-R522 PolarHBondContact O-N 3.24Å; Q519-R523 WeakPolarHBondContact O-CB 3.37Å; Q519-R523 WeakPolarHBondContact O-CG 3.43Å; Q519-R523 PolarHBondContact O-N 3.33Å
520	L	98.4	Very high	97	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-54.8	-52.8	172.1	174.1	165.8	0	0	0	110.9	L489 V493 L502 L504 C516 F517 R522 R523 L524 L527 L530 L546	L489-L520 HydrophobicContact CD1-CD1 4.15Å; L489-L520 HydrophobicContact CD2-CD1 4.21Å; V493-L520 HydrophobicContact CG1-CB 4.09Å; V493-L520 HydrophobicContact CG1-CD1 4.44Å; V493-L520 HydrophobicContact CG1-CG 4Å; L502-L520 HydrophobicContact CD2-CD1 3.68Å; L502-L520 HydrophobicContact CD2-CG 4.34Å; L504-L520 HydrophobicContact CD1-CD1 3.97Å; C516-L520 WeakPolarHBondContact O-CB 3.26Å; C516-L520 PolarHBondContact O-N 3.32Å; F517-L520 WeakPolarHBondContact O-CB 3.28Å; F517-L520 PolarHBondContact O-N 2.98Å; L520-R522 PolarHBondContact O-N 3.22Å; L520-R523 PolarHBondContact O-N 2.72Å; L520-R523 VanDerWaalsContact O-N 3.15Å; L520-L524 HydrophobicContact CD2-CD1 4.18Å; L520-L524 HydrophobicContact CG-CD1 3.97Å; L520-L524 WeakPolarHBondContact O-CB 3.47Å; L520-L524 WeakPolarHBondContact O-CG 3.31Å; L520-L524 PolarHBondContact O-N 3.11Å; L520-L527 HydrophobicContact CD2-CD2 3.81Å; L520-L530 HydrophobicContact CD1-CD1 4.43Å; L520-L530 HydrophobicContact CD2-CD2 4.19Å; L520-L546 HydrophobicContact CD2-CD2 4.36Å
521	A	98.3	Very high	97	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56	-49.1	179.9	0	0	0	0	0	111.7	F517 Q518 R523 L524 E545 L546 C549	F517-A521 PolarHBondContact O-N 3.4Å; Q518-A521 PolarHBondContact O-N 3.25Å; A521-R523 VanDerWaalsContact C-N 3.27Å; A521-R523 PolarHBondContact O-N 3.5Å; A521-L524 PolarHBondContact O-N 3.1Å; A521-E545 HydrophobicContact CB-CB 4.32Å; A521-E545 HydrophobicContact CB-CG 3.86Å; A521-L546 HydrophobicContact CB-CD2 3.76Å; A521-L546 HydrophobicContact CB-CG 4.14Å; A521-C549 HydrophobicContact CB-CB 4.23Å; A521-C549 VanDerWaalsContact O-CB 3.26Å; A521-C549 WeakPolarHBondContact O-CB 3.36Å
522	R	98.2	Very high	97.1	Very high	121 Å²	121	40.3 Å²	40.3	46%	0.457	20%	0.197	S	C	.	.	H	α-helix	trans	-64.6	-26.1	179.9	-70	172.2	-176.2	167.1	6.7	114.2	Q518 Q519 L520 E545	Q518-R522 VanDerWaalsContact O-CG 3.3Å; Q518-R522 WeakPolarHBondContact O-CG 3.32Å; Q518-R522 PolarHBondContact O-N 3.01Å; Q519-R522 PolarHBondContact O-N 3.24Å; L520-R522 PolarHBondContact O-N 3.22Å; R522-E545 HydrophobicContact CG-CG 4.19Å; R522-E545 VanDerWaalsContact CG-OE1 3.26Å; R522-E545 WeakPolarHBondContact CG-OE1 3.31Å; R522-E545 IonicContact CZ-OE1 3.92Å; R522-E545 IonicContact CZ-OE2 3.92Å; R522-E545 IonicContact NE-OE1 3.25Å; R522-E545 PolarHBondContact NE-OE1 3.05Å; R522-E545 IonicContact NE-OE2 2.77Å; R522-E545 PolarHBondContact NE-OE2 2.91Å; R522-E545 IonicContact NH2-OE1 3.42Å; R522-E545 IonicContact NH2-OE2 2.92Å; R522-E545 PolarHBondContact NH2-OE2 3.03Å
523	R	97.9	Very high	97.1	Very high	90 Å²	90	39.8 Å²	39.8	34%	0.34	19%	0.194	S	C	.	.	H	α-helix	trans	-96.9	-18.5	-175.2	-64.5	-65.5	-172.9	-159.7	5.7	113.3	V493 R497 Q519 L520 A521 P525	V493-R523 HydrophobicContact CB-CB 4.18Å; V493-R523 HydrophobicContact CG2-CB 4.1Å; V493-R523 HydrophobicContact CG2-CG 4.28Å; R497-R523 VanDerWaalsContact NH2-CD 3.28Å; Q519-R523 WeakPolarHBondContact O-CB 3.37Å; Q519-R523 WeakPolarHBondContact O-CG 3.43Å; Q519-R523 PolarHBondContact O-N 3.33Å; L520-R523 PolarHBondContact O-N 2.72Å; L520-R523 VanDerWaalsContact O-N 3.15Å; A521-R523 VanDerWaalsContact C-N 3.27Å; A521-R523 PolarHBondContact O-N 3.5Å; R523-P525 WeakPolarHBondContact O-CD 3.3Å
524	L	97.7	Very high	96.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.164	C	C	.	.			trans	-116.8	68.6	-176.5	-55.3	-172.8	0	0	0	112.5	V493 C496 L499 L502 L520 A521 R526 L527	V493-L524 HydrophobicContact CB-CD1 4.42Å; V493-L524 HydrophobicContact CB-CD2 4.17Å; V493-L524 HydrophobicContact CB-CG 4.19Å; V493-L524 HydrophobicContact CG1-CD1 3.9Å; V493-L524 HydrophobicContact CG1-CD2 4.48Å; V493-L524 HydrophobicContact CG1-CG 4.21Å; C496-L524 WeakPolarHBondContact O-CD2 3.27Å; L499-L524 HydrophobicContact CB-CD1 4.05Å; L499-L524 HydrophobicContact CB-CD2 4.03Å; L499-L524 HydrophobicContact CD1-CD1 4.16Å; L499-L524 HydrophobicContact CD1-CD2 4.35Å; L502-L524 HydrophobicContact CD2-CD1 4.21Å; L520-L524 HydrophobicContact CD2-CD1 4.18Å; L520-L524 HydrophobicContact CG-CD1 3.97Å; L520-L524 WeakPolarHBondContact O-CB 3.47Å; L520-L524 WeakPolarHBondContact O-CG 3.31Å; L520-L524 PolarHBondContact O-N 3.11Å; A521-L524 PolarHBondContact O-N 3.1Å; L524-R526 PolarHBondContact O-N 3.39Å; L524-R526 VanDerWaalsContact O-N 3.15Å; L524-L527 HydrophobicContact CB-CB 4.15Å; L524-L527 HydrophobicContact CD1-CD1 4.19Å; L524-L527 VanDerWaalsContact O-CB 3.27Å; L524-L527 WeakPolarHBondContact O-CB 3.5Å; L524-L527 PolarHBondContact O-N 3.23Å; L524-L527 VanDerWaalsContact O-N 3.15Å
525	P	95.4	Very high	96.7	Very high	75 Å²	75	32.3 Å²	32.3	49%	0.487	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.1	-178.6	29.6	-36.8	0	0	0	113.9	R523	R523-P525 WeakPolarHBondContact O-CD 3.3Å
526	R	95.8	Very high	96.5	Very high	132 Å²	132	38.5 Å²	38.5	50%	0.498	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	6	177.6	-62.2	-173.1	179.1	-168.1	1.3	113.1	E500 L524 R528	E500-R526 HydrophobicContact CG-CB 4.36Å; L524-R526 PolarHBondContact O-N 3.39Å; L524-R526 VanDerWaalsContact O-N 3.15Å; R526-R528 WeakPolarHBondContact O-CG 3.44Å; R526-R528 PolarHBondContact O-N 3.39Å
527	L	97.4	Very high	96.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.175	C	C	.	.			trans	-63.4	124.6	-176.6	-165.1	66.2	0	0	0	110.5	L502 L520 L524 L530 L546 A552 L553	L502-L527 HydrophobicContact CB-CD1 4.22Å; L520-L527 HydrophobicContact CD2-CD2 3.81Å; L524-L527 HydrophobicContact CB-CB 4.15Å; L524-L527 HydrophobicContact CD1-CD1 4.19Å; L524-L527 VanDerWaalsContact O-CB 3.27Å; L524-L527 WeakPolarHBondContact O-CB 3.5Å; L524-L527 PolarHBondContact O-N 3.23Å; L524-L527 VanDerWaalsContact O-N 3.15Å; L527-L530 HydrophobicContact CD2-CB 3.94Å; L527-L530 HydrophobicContact CD2-CD1 4.25Å; L527-L530 HydrophobicContact CD2-CD2 3.86Å; L527-L530 HydrophobicContact CD2-CG 4.22Å; L527-L530 HydrophobicContact CG-CB 4.42Å; L527-L546 HydrophobicContact CD2-CD2 4.46Å; L527-A552 CarbonylContact O-C 3.57Å; L527-L553 HydrophobicContact CD2-CD1 4.48Å; L527-L553 HydrophobicContact CG-CD1 4.26Å; L527-L553 WeakPolarHBondContact O-CA 3.26Å; L527-L553 PolarHBondContact O-N 2.99Å
528	R	96.5	Very high	96.2	Very high	85 Å²	85	39.9 Å²	39.9	32%	0.321	17%	0.174	S	C	.	.			trans	-112	-34.2	-179.9	-64.3	174.5	68.6	167.9	0.6	111.7	E500 R526 Q554 H555	E500-R528 HydrophobicContact CB-CG 4.4Å; E500-R528 WeakPolarHBondContact O-CA 3.25Å; E500-R528 PolarHBondContact O-N 2.92Å; E500-R528 WeakPolarHBondContact OE2-CD 3.41Å; E500-R528 IonicContact OE2-NH1 3.36Å; R526-R528 WeakPolarHBondContact O-CG 3.44Å; R526-R528 PolarHBondContact O-N 3.39Å; R528-Q554 VanDerWaalsContact NE-NE2 3.16Å; R528-Q554 VanDerWaalsContact NE-OE1 3.08Å; R528-Q554 WeakPolarHBondContact O-CA 3.38Å; R528-Q554 WeakPolarHBondContact O-CB 3.44Å; R528-Q554 PolarHBondContact O-N 2.82Å; R528-H555 PolarHBondContact O-N 3.4Å
529	K	96.4	Very high	96.1	Very high	3 Å²	3	39 Å²	39	1%	0.013	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	123.7	-178.5	-55.4	-177.4	-174.6	175.2	0	109.7	W98 C102 E500 E501 L502 F531 H555	W98-K529 PolarHBondContact O-NZ 3.17Å; C102-K529 VanDerWaalsContact CA-NZ 3.34Å; C102-K529 PolarHBondContact SG-NZ 3.38Å; E500-K529 PolarHBondContact O-N 3.34Å; E501-K529 WeakPolarHBondContact CA-O 3.28Å; E501-K529 HydrophobicContact CB-CB 4.42Å; E501-K529 HydrophobicContact CG-CB 4.16Å; E501-K529 HydrophobicContact CG-CD 4.19Å; E501-K529 HydrophobicContact CG-CG 4.31Å; L502-K529 PolarHBondContact N-O 3.43Å; K529-F531 HydrophobicContact CB-CE2 3.96Å; K529-F531 HydrophobicContact CB-CZ 4.48Å; K529-H555 WeakPolarHBondContact CA-O 3.47Å; K529-H555 HydrophobicContact CB-CB 4.44Å; K529-H555 WeakPolarHBondContact CE-ND1 3.39Å; K529-H555 HydrophobicContact CG-CB 4.15Å
530	L	97.6	Very high	96.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	119.7	178.4	-177.3	58.3	0	0	0	109.6	L502 L520 L527 L532 L546 L553 H555 L556 D557	L502-L530 HydrophobicContact CB-CD1 4.16Å; L502-L530 HydrophobicContact CD2-CD1 4.45Å; L502-L530 HydrophobicContact CG-CD1 4.32Å; L502-L530 WeakPolarHBondContact O-CA 3.41Å; L520-L530 HydrophobicContact CD1-CD1 4.43Å; L520-L530 HydrophobicContact CD2-CD2 4.19Å; L527-L530 HydrophobicContact CD2-CB 3.94Å; L527-L530 HydrophobicContact CD2-CD1 4.25Å; L527-L530 HydrophobicContact CD2-CD2 3.86Å; L527-L530 HydrophobicContact CD2-CG 4.22Å; L527-L530 HydrophobicContact CG-CB 4.42Å; L530-L532 HydrophobicContact CD1-CD2 3.91Å; L530-L532 HydrophobicContact CD1-CG 4.2Å; L530-L532 HydrophobicContact CD2-CD1 3.83Å; L530-L532 HydrophobicContact CD2-CG 4.22Å; L530-L532 HydrophobicContact CG-CD1 4.06Å; L530-L532 HydrophobicContact CG-CD2 4.15Å; L530-L532 HydrophobicContact CG-CG 3.88Å; L530-L546 HydrophobicContact CD2-CD1 3.86Å; L530-L546 HydrophobicContact CD2-CD2 3.66Å; L530-L546 HydrophobicContact CD2-CG 4.44Å; L530-L553 HydrophobicContact CB-CD1 4.26Å; L530-H555 PolarHBondContact N-O 2.81Å; L530-L556 HydrophobicContact CB-CD1 3.99Å; L530-L556 HydrophobicContact CD2-CD1 4.1Å; L530-L556 HydrophobicContact CG-CD1 4.15Å; L530-L556 WeakPolarHBondContact O-CA 3.49Å; L530-D557 PolarHBondContact O-N 2.96Å
531	F	96.2	Very high	96.1	Very high	23 Å²	23	40.7 Å²	40.7	10%	0.101	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.5	176.3	-54.1	-93.9	0	0	0	109.5	W98 L502 D503 L504 G505 K529 D557	W98-F531 HydrophobicContact CE3-CZ 4.1Å; W98-F531 AromaticContact CH2-CE1 3.93Å; W98-F531 HydrophobicContact CH2-CE1 3.93Å; W98-F531 AromaticContact CH2-CZ 3.66Å; W98-F531 HydrophobicContact CH2-CZ 3.66Å; W98-F531 HydrophobicContact CZ2-CE1 4.32Å; W98-F531 HydrophobicContact CZ2-CZ 4.39Å; W98-F531 HydrophobicContact CZ3-CE1 4.21Å; W98-F531 HydrophobicContact CZ3-CE2 4.24Å; W98-F531 AromaticContact CZ3-CZ 3.49Å; W98-F531 HydrophobicContact CZ3-CZ 3.49Å; W98-F531 VanDerWaalsContact CZ3-CZ 3.49Å; L502-F531 PolarHBondContact O-N 2.97Å; D503-F531 HydrophobicContact CB-CB 4.11Å; D503-F531 HydrophobicContact CB-CD2 4.03Å; D503-F531 HydrophobicContact CB-CG 4.43Å; L504-F531 CarbonylContact C-O 3.46Å; L504-F531 PolarHBondContact N-O 3.02Å; G505-F531 PolarHBondContact N-O 3.4Å; K529-F531 HydrophobicContact CB-CE2 3.96Å; K529-F531 HydrophobicContact CB-CZ 4.48Å; F531-D557 HydrophobicContact CB-CB 4.32Å; F531-D557 HydrophobicContact CD1-CB 3.57Å; F531-D557 HydrophobicContact CE1-CB 4.33Å; F531-D557 HydrophobicContact CG-CB 4.33Å
532	L	96.8	Very high	96.1	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	19%	0.188	C	C	.	.			trans	-123.3	25	-178.1	-58.7	174.7	0	0	0	111.2	L504 F517 L530 A534 N535 I538 D557 I558	L504-L532 HydrophobicContact CB-CD2 4.11Å; L504-L532 HydrophobicContact CD1-CD2 4.09Å; F517-L532 HydrophobicContact CD1-CD2 4.17Å; F517-L532 HydrophobicContact CE1-CD2 3.77Å; L530-L532 HydrophobicContact CD1-CD2 3.91Å; L530-L532 HydrophobicContact CD1-CG 4.2Å; L530-L532 HydrophobicContact CD2-CD1 3.83Å; L530-L532 HydrophobicContact CD2-CG 4.22Å; L530-L532 HydrophobicContact CG-CD1 4.06Å; L530-L532 HydrophobicContact CG-CD2 4.15Å; L530-L532 HydrophobicContact CG-CG 3.88Å; L532-A534 PolarHBondContact O-N 3.02Å; L532-N535 WeakPolarHBondContact CA-ND2 3.48Å; L532-N535 HydrophobicContact CB-CB 4.47Å; L532-N535 VanDerWaalsContact O-CB 3.27Å; L532-N535 WeakPolarHBondContact O-CB 3.39Å; L532-N535 PolarHBondContact O-N 3.49Å; L532-N535 PolarHBondContact O-ND2 3.17Å; L532-I538 HydrophobicContact CB-CD1 3.39Å; L532-I538 HydrophobicContact CD1-CD1 3.4Å; L532-I538 HydrophobicContact CD1-CG1 4.44Å; L532-I538 HydrophobicContact CD2-CD1 4.41Å; L532-I538 HydrophobicContact CG-CD1 3.88Å; L532-D557 WeakPolarHBondContact CA-O 3.25Å; L532-D557 WeakPolarHBondContact CB-O 3.35Å; L532-D557 PolarHBondContact N-O 2.98Å; L532-I558 HydrophobicContact CB-CG2 4.49Å; L532-I558 HydrophobicContact CD1-CG2 4.41Å
533	T	93.3	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	130.8	178.2	-41.4	0	0	0	0	111.8	Y60 W479 G505 W506 N535 D557 L559	Y60-T533 WeakPolarHBondContact OH-CG2 3.44Å; W479-T533 HydrophobicContact CH2-CG2 3.84Å; W479-T533 HydrophobicContact CZ3-CG2 4.03Å; W479-T533 WeakPolarHBondContact CZ3-OG1 3.29Å; G505-T533 CarbonylContact C-O 3.48Å; G505-T533 WeakPolarHBondContact CA-O 3.4Å; W506-T533 PolarHBondContact N-O 3.46Å; T533-N535 PolarHBondContact O-N 2.99Å; T533-N535 VanDerWaalsContact O-N 3.14Å; T533-N535 PolarHBondContact O-ND2 3.34Å; T533-D557 VanDerWaalsContact OG1-CG 3.26Å; T533-D557 PolarHBondContact OG1-OD1 3.33Å; T533-D557 PolarHBondContact OG1-OD2 3.49Å; T533-L559 CarbonylContact C-O 3.31Å; T533-L559 HydrophobicContact CG2-CB 4.08Å; T533-L559 HydrophobicContact CG2-CD1 4.49Å; T533-L559 HydrophobicContact CG2-CD2 3.84Å; T533-L559 HydrophobicContact CG2-CG 4.34Å
534	A	91.6	Very high	96.1	Very high	19 Å²	19	34.1 Å²	34.1	16%	0.157	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	15.4	179.5	0	0	0	0	0	116.4	W506 L532 R536 L559	W506-A534 HydrophobicContact CD2-CB 3.66Å; W506-A534 HydrophobicContact CE3-CB 3.79Å; W506-A534 HydrophobicContact CG-CB 4.19Å; W506-A534 HydrophobicContact CH2-CB 4.15Å; W506-A534 HydrophobicContact CZ2-CB 4.03Å; W506-A534 HydrophobicContact CZ3-CB 4.03Å; L532-A534 PolarHBondContact O-N 3.02Å; A534-R536 PolarHBondContact O-N 3.2Å; A534-R536 VanDerWaalsContact O-N 3.08Å; A534-L559 PolarHBondContact N-O 3.48Å
535	N	93.2	Very high	96.1	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	17%	0.174	C	C	.	.			trans	-80.9	80.2	169.8	-72.6	-81.7	0	0	0	110.8	L504 C507 F517 L532 T533 T537 I538 T561	L504-N535 PolarHBondContact O-ND2 3.39Å; C507-N535 PolarHBondContact O-OD1 3.26Å; C507-N535 VanDerWaalsContact O-OD1 3.09Å; F517-N535 HydrophobicContact CZ-CB 4.47Å; L532-N535 WeakPolarHBondContact CA-ND2 3.48Å; L532-N535 HydrophobicContact CB-CB 4.47Å; L532-N535 VanDerWaalsContact O-CB 3.27Å; L532-N535 WeakPolarHBondContact O-CB 3.39Å; L532-N535 PolarHBondContact O-N 3.49Å; L532-N535 PolarHBondContact O-ND2 3.17Å; T533-N535 PolarHBondContact O-N 2.99Å; T533-N535 VanDerWaalsContact O-N 3.14Å; T533-N535 PolarHBondContact O-ND2 3.34Å; N535-T537 PolarHBondContact O-N 3.39Å; N535-I538 HydrophobicContact CB-CD1 3.56Å; N535-I538 HydrophobicContact CB-CG1 4.11Å; N535-I538 PolarHBondContact O-N 3.27Å; N535-T561 WeakPolarHBondContact O-CG2 3.49Å
536	R	92.8	Very high	96.3	Very high	140 Å²	140	32.4 Å²	32.4	53%	0.528	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.5	-167.9	-65	174.7	-179.5	-180	1.3	116.1	A534	A534-R536 PolarHBondContact O-N 3.2Å; A534-R536 VanDerWaalsContact O-N 3.08Å
537	T	94.6	Very high	96.4	Very high	34 Å²	34	26.4 Å²	26.4	21%	0.209	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-13.1	-173	61.8	0	0	0	0	114.3	L510 S512 N535 C539	L510-T537 PolarHBondContact O-OG1 3.17Å; S512-T537 WeakPolarHBondContact CB-O 3.47Å; S512-T537 PolarHBondContact N-OG1 3.42Å; S512-T537 VanDerWaalsContact N-OG1 3.16Å; N535-T537 PolarHBondContact O-N 3.39Å; T537-C539 PolarHBondContact O-N 2.98Å
538	I	96.1	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.			trans	-56.5	133.7	178.1	-67	164.9	0	0	0	109.9	F517 L532 N535 D542 I543 T561 L563 V564	F517-I538 HydrophobicContact CD2-CG1 4.09Å; F517-I538 HydrophobicContact CE2-CG1 3.82Å; F517-I538 HydrophobicContact CZ-CD1 4.42Å; F517-I538 HydrophobicContact CZ-CG1 4.18Å; L532-I538 HydrophobicContact CB-CD1 3.39Å; L532-I538 HydrophobicContact CD1-CD1 3.4Å; L532-I538 HydrophobicContact CD1-CG1 4.44Å; L532-I538 HydrophobicContact CD2-CD1 4.41Å; L532-I538 HydrophobicContact CG-CD1 3.88Å; N535-I538 HydrophobicContact CB-CD1 3.56Å; N535-I538 HydrophobicContact CB-CG1 4.11Å; N535-I538 PolarHBondContact O-N 3.27Å; I538-D542 HydrophobicContact CG2-CB 4.2Å; I538-I543 HydrophobicContact CG2-CD1 4.01Å; I538-I543 HydrophobicContact CG2-CG1 4.34Å; I538-T561 HydrophobicContact CB-CG2 3.73Å; I538-T561 HydrophobicContact CD1-CG2 3.84Å; I538-T561 HydrophobicContact CG1-CG2 4.3Å; I538-T561 HydrophobicContact CG2-CG2 4.25Å; I538-L563 WeakPolarHBondContact O-CB 3.3Å; I538-V564 HydrophobicContact CG2-CG2 3.88Å
539	C	96.3	Very high	96.5	Very high	28 Å²	28	27.6 Å²	27.6	19%	0.189	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-130.5	175.4	-176.8	71.3	0	0	0	0	112	S512 T537 S541 D542 I543 L563	S512-C539 PolarHBondContact OG-SG 3Å; T537-C539 PolarHBondContact O-N 2.98Å; C539-S541 PolarHBondContact O-N 3.22Å; C539-S541 PolarHBondContact SG-OG 2.71Å; C539-D542 PolarHBondContact N-OD2 3.14Å; C539-D542 WeakPolarHBondContact O-CB 3.49Å; C539-D542 PolarHBondContact O-N 2.66Å; C539-D542 PolarHBondContact SG-OD2 3.05Å; C539-I543 PolarHBondContact O-N 2.91Å; C539-L563 HydrophobicContact CB-CB 3.76Å; C539-L563 HydrophobicContact CB-CD1 4.36Å
540	D	97.9	Very high	96.5	Very high	45 Å²	45	27.5 Å²	27.5	24%	0.241	16%	0.156	C	C	.	.	H	α-helix	trans	-53.4	-37.1	-178.2	-75.7	-12.4	0	0	0	113.9	D542 I543 E544 L563 V564 S565 S568	D540-D542 VanDerWaalsContact C-N 3.29Å; D540-D542 PolarHBondContact O-N 2.64Å; D540-I543 PolarHBondContact O-N 3.32Å; D540-E544 WeakPolarHBondContact O-CB 3.44Å; D540-E544 VanDerWaalsContact O-CG 3.27Å; D540-E544 WeakPolarHBondContact O-CG 3.09Å; D540-E544 PolarHBondContact O-N 2.71Å; D540-L563 PolarHBondContact N-O 3.28Å; D540-V564 VanDerWaalsContact OD1-CA 3.32Å; D540-V564 WeakPolarHBondContact OD1-CA 3.48Å; D540-S565 VanDerWaalsContact CG-OG 3.3Å; D540-S565 PolarHBondContact OD1-N 2.78Å; D540-S565 PolarHBondContact OD1-OG 2.86Å; D540-S565 VanDerWaalsContact OD2-CB 3.32Å; D540-S565 WeakPolarHBondContact OD2-CB 3.48Å; D540-S565 PolarHBondContact OD2-OG 2.57Å; D540-S568 WeakPolarHBondContact OD1-CB 3.49Å; D540-S568 PolarHBondContact OD1-OG 2.99Å
541	S	98	Very high	96.5	Very high	53 Å²	53	30.7 Å²	30.7	37%	0.371	18%	0.176	S	C	.	.	H	α-helix	trans	-68.3	-27.8	-179.3	68	0	0	0	0	113.1	Q518 C539 E545	Q518-S541 PolarHBondContact NE2-OG 3.36Å; C539-S541 PolarHBondContact O-N 3.22Å; C539-S541 PolarHBondContact SG-OG 2.71Å; S541-E545 WeakPolarHBondContact O-CB 3.23Å; S541-E545 PolarHBondContact O-N 2.76Å; S541-E545 VanDerWaalsContact O-N 3.17Å
542	D	98.2	Very high	96.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-72	-43.2	173	-56.5	-57.1	0	0	0	110.8	S512 F517 I538 C539 D540 E545 L546	S512-D542 WeakPolarHBondContact CB-OD2 3.35Å; S512-D542 VanDerWaalsContact OG-CG 3.28Å; S512-D542 PolarHBondContact OG-OD1 3.34Å; S512-D542 PolarHBondContact OG-OD2 2.83Å; F517-D542 HydrophobicContact CB-CB 4.17Å; I538-D542 HydrophobicContact CG2-CB 4.2Å; C539-D542 PolarHBondContact N-OD2 3.14Å; C539-D542 WeakPolarHBondContact O-CB 3.49Å; C539-D542 PolarHBondContact O-N 2.66Å; C539-D542 PolarHBondContact SG-OD2 3.05Å; D540-D542 VanDerWaalsContact C-N 3.29Å; D540-D542 PolarHBondContact O-N 2.64Å; D542-E545 PolarHBondContact O-N 2.66Å; D542-L546 WeakPolarHBondContact O-CG 3.23Å; D542-L546 PolarHBondContact O-N 2.79Å
543	I	98.4	Very high	96.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-41.4	178.5	-59.2	-57.8	0	0	0	111	I538 C539 D540 E545 L546 A547 L556 I558 V564 L569 L572	I538-I543 HydrophobicContact CG2-CD1 4.01Å; I538-I543 HydrophobicContact CG2-CG1 4.34Å; C539-I543 PolarHBondContact O-N 2.91Å; D540-I543 PolarHBondContact O-N 3.32Å; I543-E545 VanDerWaalsContact C-N 3.35Å; I543-L546 HydrophobicContact CD1-CD1 4.38Å; I543-L546 PolarHBondContact O-N 2.93Å; I543-A547 WeakPolarHBondContact O-CB 3.33Å; I543-A547 PolarHBondContact O-N 2.98Å; I543-L556 HydrophobicContact CD1-CD2 4.32Å; I543-I558 HydrophobicContact CD1-CD1 4.29Å; I543-I558 HydrophobicContact CD1-CG2 4.08Å; I543-V564 HydrophobicContact CD1-CG2 4.37Å; I543-V564 HydrophobicContact CG1-CG1 3.97Å; I543-V564 HydrophobicContact CG1-CG2 3.87Å; I543-L569 HydrophobicContact CG2-CD2 4.38Å; I543-L572 HydrophobicContact CG2-CB 3.94Å; I543-L572 HydrophobicContact CG2-CD1 4.43Å; I543-L572 HydrophobicContact CG2-CD2 4.27Å; I543-L572 HydrophobicContact CG2-CG 4.45Å
544	E	98.3	Very high	96.6	Very high	72 Å²	72	32 Å²	32	34%	0.336	19%	0.187	S	C	.	.	H	α-helix	trans	-65.5	-37.2	176.1	-72.9	-179.1	179.2	0	0	112	D540 A547 A548 K571	D540-E544 WeakPolarHBondContact O-CB 3.44Å; D540-E544 VanDerWaalsContact O-CG 3.27Å; D540-E544 WeakPolarHBondContact O-CG 3.09Å; D540-E544 PolarHBondContact O-N 2.71Å; E544-A547 WeakPolarHBondContact O-CB 3.45Å; E544-A547 PolarHBondContact O-N 3.05Å; E544-A548 PolarHBondContact O-N 3.06Å; E544-K571 HydrophobicContact CG-CD 4.06Å; E544-K571 IonicContact OE1-NZ 2.67Å; E544-K571 PolarHBondContact OE1-NZ 2.89Å; E544-K571 IonicContact OE2-NZ 3.74Å
545	E	98.5	Very high	96.8	Very high	35 Å²	35	31.8 Å²	31.8	16%	0.164	18%	0.183	C	C	.	.	H	α-helix	trans	-68.3	-39.4	174.8	-166.2	77.2	-136.5	0	0	111.9	Q518 A521 R522 S541 D542 I543 A547 A548 C549	Q518-E545 HydrophobicContact CB-CB 4.3Å; Q518-E545 HydrophobicContact CB-CG 3.92Å; Q518-E545 HydrophobicContact CG-CB 4.04Å; Q518-E545 HydrophobicContact CG-CG 4.21Å; A521-E545 HydrophobicContact CB-CB 4.32Å; A521-E545 HydrophobicContact CB-CG 3.86Å; R522-E545 HydrophobicContact CG-CG 4.19Å; R522-E545 VanDerWaalsContact CG-OE1 3.26Å; R522-E545 WeakPolarHBondContact CG-OE1 3.31Å; R522-E545 IonicContact CZ-OE1 3.92Å; R522-E545 IonicContact CZ-OE2 3.92Å; R522-E545 IonicContact NE-OE1 3.25Å; R522-E545 PolarHBondContact NE-OE1 3.05Å; R522-E545 IonicContact NE-OE2 2.77Å; R522-E545 PolarHBondContact NE-OE2 2.91Å; R522-E545 IonicContact NH2-OE1 3.42Å; R522-E545 IonicContact NH2-OE2 2.92Å; R522-E545 PolarHBondContact NH2-OE2 3.03Å; S541-E545 WeakPolarHBondContact O-CB 3.23Å; S541-E545 PolarHBondContact O-N 2.76Å; S541-E545 VanDerWaalsContact O-N 3.17Å; D542-E545 PolarHBondContact O-N 2.66Å; I543-E545 VanDerWaalsContact C-N 3.35Å; E545-A547 VanDerWaalsContact C-N 3.34Å; E545-A548 PolarHBondContact O-N 3.3Å; E545-C549 WeakPolarHBondContact O-CB 3.35Å; E545-C549 PolarHBondContact O-N 3.12Å; E545-C549 PolarHBondContact OE1-SG 2.79Å; E545-C549 VanDerWaalsContact OE1-SG 3.32Å
546	L	98.4	Very high	97	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-59.8	-44.8	171.2	-74.3	168	0	0	0	111.2	L520 A521 L527 L530 D542 I543 A548 C549 C550 L556 L572	L520-L546 HydrophobicContact CD2-CD2 4.36Å; A521-L546 HydrophobicContact CB-CD2 3.76Å; A521-L546 HydrophobicContact CB-CG 4.14Å; L527-L546 HydrophobicContact CD2-CD2 4.46Å; L530-L546 HydrophobicContact CD2-CD1 3.86Å; L530-L546 HydrophobicContact CD2-CD2 3.66Å; L530-L546 HydrophobicContact CD2-CG 4.44Å; D542-L546 WeakPolarHBondContact O-CG 3.23Å; D542-L546 PolarHBondContact O-N 2.79Å; I543-L546 HydrophobicContact CD1-CD1 4.38Å; I543-L546 PolarHBondContact O-N 2.93Å; L546-A548 VanDerWaalsContact C-N 3.26Å; L546-A548 PolarHBondContact O-N 2.78Å; L546-C549 PolarHBondContact O-N 2.87Å; L546-C550 WeakPolarHBondContact O-CA 3.37Å; L546-C550 WeakPolarHBondContact O-CB 3.15Å; L546-C550 PolarHBondContact O-N 3.45Å; L546-L556 HydrophobicContact CD1-CD1 4.41Å; L546-L572 HydrophobicContact CB-CD1 4.36Å
547	A	97.9	Very high	97.2	Very high	7 Å²	7	25.6 Å²	25.6	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-37.5	176.8	0	0	0	0	0	112.2	I543 E544 E545 L572 S575	I543-A547 WeakPolarHBondContact O-CB 3.33Å; I543-A547 PolarHBondContact O-N 2.98Å; E544-A547 WeakPolarHBondContact O-CB 3.45Å; E544-A547 PolarHBondContact O-N 3.05Å; E545-A547 VanDerWaalsContact C-N 3.34Å; A547-L572 HydrophobicContact CB-CB 4.33Å; A547-L572 HydrophobicContact CB-CD1 4.02Å; A547-S575 WeakPolarHBondContact O-CB 3.41Å
548	A	98.1	Very high	97.3	Very high	76 Å²	76	24 Å²	24	63%	0.628	15%	0.15	S	C	*	.	H	α-helix	trans	-77.5	-37.1	-180	0	0	0	0	0	113.4	E544 E545 L546	E544-A548 PolarHBondContact O-N 3.06Å; E545-A548 PolarHBondContact O-N 3.3Å; L546-A548 VanDerWaalsContact C-N 3.26Å; L546-A548 PolarHBondContact O-N 2.78Å
549	C	98.1	Very high	97.2	Very high	34 Å²	34	24.5 Å²	24.5	23%	0.23	15%	0.153	C	C	.	.	H	α-helix	trans	-104.6	-18.4	-169	-64.9	0	0	0	0	115	A521 E545 L546 P551	A521-C549 HydrophobicContact CB-CB 4.23Å; A521-C549 VanDerWaalsContact O-CB 3.26Å; A521-C549 WeakPolarHBondContact O-CB 3.36Å; E545-C549 WeakPolarHBondContact O-CB 3.35Å; E545-C549 PolarHBondContact O-N 3.12Å; E545-C549 PolarHBondContact OE1-SG 2.79Å; E545-C549 VanDerWaalsContact OE1-SG 3.32Å; L546-C549 PolarHBondContact O-N 2.87Å; C549-P551 VanDerWaalsContact C-CD 3.42Å; C549-P551 VanDerWaalsContact O-CD 3.28Å; C549-P551 WeakPolarHBondContact O-CD 3.3Å
550	C	97.6	Very high	97	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.151	C	C	.	.			trans	-121.2	66.1	-172.9	-57.2	0	0	0	0	112.5	L546 A552 L553 C576	L546-C550 WeakPolarHBondContact O-CA 3.37Å; L546-C550 WeakPolarHBondContact O-CB 3.15Å; L546-C550 PolarHBondContact O-N 3.45Å; C550-A552 PolarHBondContact O-N 2.98Å; C550-L553 HydrophobicContact CB-CB 4.47Å; C550-L553 WeakPolarHBondContact O-CB 3.39Å; C550-L553 PolarHBondContact O-N 2.87Å; C550-C576 PolarHBondContact O-SG 3.3Å; C550-C576 VanDerWaalsContact O-SG 3.38Å
551	P	95.9	Very high	96.8	Very high	68 Å²	68	21.7 Å²	21.7	44%	0.442	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.6	-177.2	29.1	-36.6	0	0	0	114	C549 L553	C549-P551 VanDerWaalsContact C-CD 3.42Å; C549-P551 VanDerWaalsContact O-CD 3.28Å; C549-P551 WeakPolarHBondContact O-CD 3.3Å; P551-L553 VanDerWaalsContact C-N 3.29Å
552	A	95.9	Very high	96.4	Very high	24 Å²	24	25.1 Å²	25.1	20%	0.198	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5.3	177.7	0	0	0	0	0	113.6	L527 C550 Q554	L527-A552 CarbonylContact O-C 3.57Å; C550-A552 PolarHBondContact O-N 2.98Å; A552-Q554 PolarHBondContact O-N 3.27Å
553	L	97.3	Very high	96.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.165	C	C	.	.			trans	-63.1	127.1	-177.7	-162.4	68.7	0	0	0	110.5	L527 L530 C550 P551 L556 L572 C576 Q578 L579	L527-L553 HydrophobicContact CD2-CD1 4.48Å; L527-L553 HydrophobicContact CG-CD1 4.26Å; L527-L553 WeakPolarHBondContact O-CA 3.26Å; L527-L553 PolarHBondContact O-N 2.99Å; L530-L553 HydrophobicContact CB-CD1 4.26Å; C550-L553 HydrophobicContact CB-CB 4.47Å; C550-L553 WeakPolarHBondContact O-CB 3.39Å; C550-L553 PolarHBondContact O-N 2.87Å; P551-L553 VanDerWaalsContact C-N 3.29Å; L553-L556 HydrophobicContact CD2-CB 4.03Å; L553-L556 HydrophobicContact CD2-CD1 4.49Å; L553-L556 HydrophobicContact CD2-CD2 4.37Å; L553-L572 HydrophobicContact CD2-CD1 4.34Å; L553-C576 HydrophobicContact CB-CB 4.43Å; L553-Q578 CarbonylContact O-C 3.38Å; L553-Q578 VanDerWaalsContact O-C 3.31Å; L553-L579 HydrophobicContact CB-CD1 4.37Å; L553-L579 HydrophobicContact CD2-CD1 4.17Å; L553-L579 HydrophobicContact CG-CD1 3.99Å; L553-L579 WeakPolarHBondContact O-CA 3.43Å; L553-L579 PolarHBondContact O-N 3.07Å; L553-L579 VanDerWaalsContact O-N 3.12Å
554	Q	95.7	Very high	96.2	Very high	30 Å²	30	29.2 Å²	29.2	14%	0.14	17%	0.166	C	C	.	.			trans	-111.1	-42.7	-177.7	-72.7	168.7	8.5	0	0	111.1	R528 A552 Q578 L579 V580 L581	R528-Q554 VanDerWaalsContact NE-NE2 3.16Å; R528-Q554 VanDerWaalsContact NE-OE1 3.08Å; R528-Q554 WeakPolarHBondContact O-CA 3.38Å; R528-Q554 WeakPolarHBondContact O-CB 3.44Å; R528-Q554 PolarHBondContact O-N 2.82Å; A552-Q554 PolarHBondContact O-N 3.27Å; Q554-Q578 WeakPolarHBondContact CA-O 3.35Å; Q554-Q578 HydrophobicContact CG-CB 3.96Å; Q554-Q578 WeakPolarHBondContact CG-O 3.38Å; Q554-L579 CarbonylContact O-C 3.48Å; Q554-L579 WeakPolarHBondContact O-CA 3.38Å; Q554-L579 WeakPolarHBondContact O-CD1 3.19Å; Q554-V580 PolarHBondContact O-N 3.39Å; Q554-L581 PolarHBondContact O-N 2.78Å
555	H	95.8	Very high	96.1	Very high	13 Å²	13	26.8 Å²	26.8	6%	0.06	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.5	177.3	-53.4	145	0	0	0	111	W98 R528 K529 L530 L581	W98-H555 WeakPolarHBondContact CB-CE1 3.3Å; R528-H555 PolarHBondContact O-N 3.4Å; K529-H555 WeakPolarHBondContact CA-O 3.47Å; K529-H555 HydrophobicContact CB-CB 4.44Å; K529-H555 WeakPolarHBondContact CE-ND1 3.39Å; K529-H555 HydrophobicContact CG-CB 4.15Å; L530-H555 PolarHBondContact N-O 2.81Å; H555-L581 WeakPolarHBondContact CA-O 3.28Å; H555-L581 HydrophobicContact CB-CB 4.41Å; H555-L581 VanDerWaalsContact CD2-CB 3.45Å; H555-L581 WeakPolarHBondContact CD2-CB 3.48Å
556	L	97.4	Very high	96	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121.1	171.7	-178.7	63.4	0	0	0	109.6	L530 I543 L546 L553 I558 L572 L579 L581 L582 D583	L530-L556 HydrophobicContact CB-CD1 3.99Å; L530-L556 HydrophobicContact CD2-CD1 4.1Å; L530-L556 HydrophobicContact CG-CD1 4.15Å; L530-L556 WeakPolarHBondContact O-CA 3.49Å; I543-L556 HydrophobicContact CD1-CD2 4.32Å; L546-L556 HydrophobicContact CD1-CD1 4.41Å; L553-L556 HydrophobicContact CD2-CB 4.03Å; L553-L556 HydrophobicContact CD2-CD1 4.49Å; L553-L556 HydrophobicContact CD2-CD2 4.37Å; L556-I558 HydrophobicContact CD1-CG2 3.98Å; L556-I558 HydrophobicContact CD2-CG2 4.12Å; L556-I558 HydrophobicContact CG-CG2 3.92Å; L556-L572 HydrophobicContact CD2-CD2 3.4Å; L556-L572 VanDerWaalsContact CD2-CD2 3.4Å; L556-L579 HydrophobicContact CB-CD1 4.34Å; L556-L581 PolarHBondContact N-O 2.88Å; L556-L582 HydrophobicContact CB-CD1 4.11Å; L556-L582 HydrophobicContact CD2-CD1 4.02Å; L556-L582 HydrophobicContact CG-CD1 4.2Å; L556-L582 CarbonylContact O-C 3.53Å; L556-L582 WeakPolarHBondContact O-CA 3.09Å; L556-D583 PolarHBondContact O-N 3.36Å
557	D	96.1	Very high	95.9	Very high	13 Å²	13	30.9 Å²	30.9	7%	0.07	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.9	169.7	174.9	-13.7	0	0	0	108.8	L530 F531 L532 T533 L559 D583	L530-D557 PolarHBondContact O-N 2.96Å; F531-D557 HydrophobicContact CB-CB 4.32Å; F531-D557 HydrophobicContact CD1-CB 3.57Å; F531-D557 HydrophobicContact CE1-CB 4.33Å; F531-D557 HydrophobicContact CG-CB 4.33Å; L532-D557 WeakPolarHBondContact CA-O 3.25Å; L532-D557 WeakPolarHBondContact CB-O 3.35Å; L532-D557 PolarHBondContact N-O 2.98Å; T533-D557 VanDerWaalsContact OG1-CG 3.26Å; T533-D557 PolarHBondContact OG1-OD1 3.33Å; T533-D557 PolarHBondContact OG1-OD2 3.49Å; D557-L559 WeakPolarHBondContact OD1-CB 3.46Å; D557-L559 PolarHBondContact OD1-N 2.93Å; D557-D583 HydrophobicContact CB-CB 4.18Å
558	I	96.9	Very high	95.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.185	C	C	.	.			trans	-121	30.3	172.3	59.5	166.3	0	0	0	111.4	L532 I543 L556 G560 T561 V564 L569 D583 V584 C587	L532-I558 HydrophobicContact CB-CG2 4.49Å; L532-I558 HydrophobicContact CD1-CG2 4.41Å; I543-I558 HydrophobicContact CD1-CD1 4.29Å; I543-I558 HydrophobicContact CD1-CG2 4.08Å; L556-I558 HydrophobicContact CD1-CG2 3.98Å; L556-I558 HydrophobicContact CD2-CG2 4.12Å; L556-I558 HydrophobicContact CG-CG2 3.92Å; I558-G560 PolarHBondContact O-N 3.41Å; I558-T561 HydrophobicContact CB-CG2 3.81Å; I558-T561 WeakPolarHBondContact O-CB 3.42Å; I558-T561 WeakPolarHBondContact O-CG2 3.39Å; I558-T561 PolarHBondContact O-N 3.19Å; I558-T561 VanDerWaalsContact O-N 3.14Å; I558-T561 PolarHBondContact O-OG1 3.08Å; I558-V564 HydrophobicContact CD1-CB 4.25Å; I558-V564 HydrophobicContact CD1-CG1 3.84Å; I558-V564 HydrophobicContact CD1-CG2 4.22Å; I558-L569 HydrophobicContact CD1-CD2 3.86Å; I558-D583 VanDerWaalsContact CG1-O 3.24Å; I558-D583 WeakPolarHBondContact CG1-O 3.24Å; I558-D583 PolarHBondContact N-O 3.29Å; I558-V584 HydrophobicContact CD1-CG1 4.13Å; I558-V584 HydrophobicContact CG1-CG1 4.14Å; I558-C587 PolarHBondContact O-SG 2.67Å
559	L	94.1	Very high	95.9	Very high	11 Å²	11	27 Å²	27	6%	0.058	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	129.2	-179.6	180	160.7	0	0	0	110.2	T533 A534 D557 T561 S585 F586	T533-L559 CarbonylContact C-O 3.31Å; T533-L559 HydrophobicContact CG2-CB 4.08Å; T533-L559 HydrophobicContact CG2-CD1 4.49Å; T533-L559 HydrophobicContact CG2-CD2 3.84Å; T533-L559 HydrophobicContact CG2-CG 4.34Å; A534-L559 PolarHBondContact N-O 3.48Å; D557-L559 WeakPolarHBondContact OD1-CB 3.46Å; D557-L559 PolarHBondContact OD1-N 2.93Å; L559-T561 VanDerWaalsContact C-N 3.32Å; L559-T561 PolarHBondContact O-N 2.57Å; L559-S585 CarbonylContact C-O 3.59Å; L559-S585 WeakPolarHBondContact CA-O 3.28Å; L559-F586 HydrophobicContact CD1-CD2 4.4Å; L559-F586 HydrophobicContact CD2-CD2 3.88Å; L559-F586 HydrophobicContact CG-CD2 4.03Å
560	G	92.6	Very high	95.8	Very high	14 Å²	14	29.5 Å²	29.5	14%	0.144	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	12.2	175.5	0	0	0	0	0	115.5	I558 S585	I558-G560 PolarHBondContact O-N 3.41Å; G560-S585 PolarHBondContact N-O 2.96Å
561	T	92.8	Very high	95.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	18%	0.18	C	C	.	.			trans	-70.1	154	166.5	58.7	0	0	0	0	111.1	N535 I538 I558 L559 C587	N535-T561 WeakPolarHBondContact O-CG2 3.49Å; I538-T561 HydrophobicContact CB-CG2 3.73Å; I538-T561 HydrophobicContact CD1-CG2 3.84Å; I538-T561 HydrophobicContact CG1-CG2 4.3Å; I538-T561 HydrophobicContact CG2-CG2 4.25Å; I558-T561 HydrophobicContact CB-CG2 3.81Å; I558-T561 WeakPolarHBondContact O-CB 3.42Å; I558-T561 WeakPolarHBondContact O-CG2 3.39Å; I558-T561 PolarHBondContact O-N 3.19Å; I558-T561 VanDerWaalsContact O-N 3.14Å; I558-T561 PolarHBondContact O-OG1 3.08Å; L559-T561 VanDerWaalsContact C-N 3.32Å; L559-T561 PolarHBondContact O-N 2.57Å; T561-C587 VanDerWaalsContact O-CA 3.32Å; T561-C587 WeakPolarHBondContact O-CA 3.24Å; T561-C587 PolarHBondContact OG1-SG 3.26Å
562	R	91.6	Very high	95.9	Very high	124 Å²	124	30.5 Å²	30.5	47%	0.468	16%	0.159	S	C	.	.	S	Bend	trans	-120.4	-14.1	-171.8	-64.6	-178.1	179.8	-177.1	-5.3	115	S588 Q589	R562-S588 PolarHBondContact O-OG 2.82Å; R562-Q589 WeakPolarHBondContact O-CG 3.39Å; R562-Q589 PolarHBondContact O-NE2 2.74Å
563	L	94.1	Very high	96	Very high	86 Å²	86	29.8 Å²	29.8	45%	0.45	15%	0.152	S	C	.	.	B	Isolated β-bridge	trans	-118.2	13.7	-169.4	-52.8	175.4	0	0	0	112.8	I538 C539 D540	I538-L563 WeakPolarHBondContact O-CB 3.3Å; C539-L563 HydrophobicContact CB-CB 3.76Å; C539-L563 HydrophobicContact CB-CD1 4.36Å; D540-L563 PolarHBondContact N-O 3.28Å
564	V	96.6	Very high	96	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	18%	0.18	C	C	.	.			trans	-100.2	124.3	179.6	178.2	0	0	0	0	110.1	I538 D540 I543 I558 L569 Q589 V590	I538-V564 HydrophobicContact CG2-CG2 3.88Å; D540-V564 VanDerWaalsContact OD1-CA 3.32Å; D540-V564 WeakPolarHBondContact OD1-CA 3.48Å; I543-V564 HydrophobicContact CD1-CG2 4.37Å; I543-V564 HydrophobicContact CG1-CG1 3.97Å; I543-V564 HydrophobicContact CG1-CG2 3.87Å; I558-V564 HydrophobicContact CD1-CB 4.25Å; I558-V564 HydrophobicContact CD1-CG1 3.84Å; I558-V564 HydrophobicContact CD1-CG2 4.22Å; V564-L569 HydrophobicContact CG1-CD1 4.37Å; V564-L569 HydrophobicContact CG1-CD2 3.76Å; V564-L569 HydrophobicContact CG1-CG 3.87Å; V564-Q589 WeakPolarHBondContact O-CB 3.43Å; V564-V590 WeakPolarHBondContact O-CG2 3.35Å
565	S	96.3	Very high	96.1	Very high	21 Å²	21	36.9 Å²	36.9	15%	0.147	19%	0.191	C	C	.	.			trans	-95.4	160.8	179	75.2	0	0	0	0	112.7	D540 T567 S568 L569	D540-S565 VanDerWaalsContact CG-OG 3.3Å; D540-S565 PolarHBondContact OD1-N 2.78Å; D540-S565 PolarHBondContact OD1-OG 2.86Å; D540-S565 VanDerWaalsContact OD2-CB 3.32Å; D540-S565 WeakPolarHBondContact OD2-CB 3.48Å; D540-S565 PolarHBondContact OD2-OG 2.57Å; S565-T567 PolarHBondContact O-N 3.39Å; S565-T567 PolarHBondContact OG-N 2.82Å; S565-S568 PolarHBondContact O-N 2.69Å; S565-S568 PolarHBondContact O-OG 3.1Å; S565-L569 WeakPolarHBondContact O-CG 3.41Å; S565-L569 PolarHBondContact O-N 3.39Å
566	A	96.6	Very high	96.2	Very high	29 Å²	29	36.3 Å²	36.3	24%	0.24	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-26.2	174.2	0	0	0	0	0	113.2	K570 A594	A566-K570 PolarHBondContact O-N 3.41Å; A566-A594 HydrophobicContact CB-CB 3.81Å
567	T	96.3	Very high	96.1	Very high	96 Å²	96	41.6 Å²	41.6	59%	0.589	22%	0.223	S	C	*	.	H	α-helix	trans	-68.8	-45	-179.3	-56.7	0	0	0	0	111.8	S565 L569 K570 K571	S565-T567 PolarHBondContact O-N 3.39Å; S565-T567 PolarHBondContact OG-N 2.82Å; T567-L569 VanDerWaalsContact C-N 3.34Å; T567-K570 WeakPolarHBondContact O-CB 3.29Å; T567-K570 PolarHBondContact O-N 3.08Å; T567-K571 PolarHBondContact O-N 2.85Å
568	S	97.4	Very high	96	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.2	-37.5	177	63.7	0	0	0	0	111.3	D540 S565 K570 K571 L572	D540-S568 WeakPolarHBondContact OD1-CB 3.49Å; D540-S568 PolarHBondContact OD1-OG 2.99Å; S565-S568 PolarHBondContact O-N 2.69Å; S565-S568 PolarHBondContact O-OG 3.1Å; S568-K570 VanDerWaalsContact C-N 3.34Å; S568-K570 PolarHBondContact O-N 2.97Å; S568-K571 WeakPolarHBondContact O-CB 3.41Å; S568-K571 PolarHBondContact O-N 2.78Å; S568-L572 PolarHBondContact O-N 2.91Å
569	L	98.2	Very high	96	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-40.2	173.3	-63.8	179.7	0	0	0	112.5	I543 I558 V564 S565 T567 K571 L572 L573 L582 V584 V590 L598	I543-L569 HydrophobicContact CG2-CD2 4.38Å; I558-L569 HydrophobicContact CD1-CD2 3.86Å; V564-L569 HydrophobicContact CG1-CD1 4.37Å; V564-L569 HydrophobicContact CG1-CD2 3.76Å; V564-L569 HydrophobicContact CG1-CG 3.87Å; S565-L569 WeakPolarHBondContact O-CG 3.41Å; S565-L569 PolarHBondContact O-N 3.39Å; T567-L569 VanDerWaalsContact C-N 3.34Å; L569-K571 VanDerWaalsContact C-N 3.33Å; L569-K571 PolarHBondContact O-N 2.97Å; L569-L572 WeakPolarHBondContact O-CB 3.49Å; L569-L572 PolarHBondContact O-N 3.06Å; L569-L573 WeakPolarHBondContact O-CB 3.49Å; L569-L573 WeakPolarHBondContact O-CD1 3.33Å; L569-L573 VanDerWaalsContact O-CG 3.26Å; L569-L573 WeakPolarHBondContact O-CG 3.37Å; L569-L573 PolarHBondContact O-N 3.28Å; L569-L582 HydrophobicContact CD2-CD1 4.39Å; L569-L582 HydrophobicContact CD2-CD2 4.2Å; L569-V584 HydrophobicContact CD1-CG1 3.71Å; L569-V584 HydrophobicContact CD2-CG1 4.44Å; L569-V590 HydrophobicContact CD1-CG1 4.22Å; L569-V590 HydrophobicContact CD1-CG2 3.77Å; L569-L598 HydrophobicContact CB-CD1 4.05Å; L569-L598 HydrophobicContact CD1-CD1 4.44Å
570	K	97.6	Very high	96	Very high	88 Å²	88	48.8 Å²	48.8	38%	0.383	26%	0.262	S	S	.	.	H	α-helix	trans	-59.9	-43.9	173.8	-171.7	174.5	179.4	174.3	0	111.4	A566 T567 S568 L573 Q574 L598 F602	A566-K570 PolarHBondContact O-N 3.41Å; T567-K570 WeakPolarHBondContact O-CB 3.29Å; T567-K570 PolarHBondContact O-N 3.08Å; S568-K570 VanDerWaalsContact C-N 3.34Å; S568-K570 PolarHBondContact O-N 2.97Å; K570-L573 PolarHBondContact O-N 3.07Å; K570-Q574 VanDerWaalsContact O-CG 3.28Å; K570-Q574 WeakPolarHBondContact O-CG 3.31Å; K570-Q574 PolarHBondContact O-N 2.81Å; K570-L598 HydrophobicContact CB-CD2 3.84Å; K570-L598 HydrophobicContact CG-CD2 4.18Å; K570-F602 HydrophobicContact CG-CE2 4.37Å
571	K	97.1	Very high	96.1	Very high	88 Å²	88	48.9 Å²	48.9	38%	0.383	26%	0.258	S	S	.	.	H	α-helix	trans	-62	-44.2	175.7	-67.8	176.8	-178.4	175.9	0	111.5	E544 T567 S568 L569 L573 Q574 S575	E544-K571 HydrophobicContact CG-CD 4.06Å; E544-K571 IonicContact OE1-NZ 2.67Å; E544-K571 PolarHBondContact OE1-NZ 2.89Å; E544-K571 IonicContact OE2-NZ 3.74Å; T567-K571 PolarHBondContact O-N 2.85Å; S568-K571 WeakPolarHBondContact O-CB 3.41Å; S568-K571 PolarHBondContact O-N 2.78Å; L569-K571 VanDerWaalsContact C-N 3.33Å; L569-K571 PolarHBondContact O-N 2.97Å; K571-L573 PolarHBondContact O-N 2.95Å; K571-Q574 PolarHBondContact O-N 2.95Å; K571-S575 PolarHBondContact O-N 2.84Å; K571-S575 PolarHBondContact O-OG 2.66Å
572	L	98.3	Very high	96.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-55.7	-50.1	174.8	179.7	78	0	0	0	111.5	I543 L546 A547 L553 L556 S568 L569 Q574 S575 C576 L579 L582	I543-L572 HydrophobicContact CG2-CB 3.94Å; I543-L572 HydrophobicContact CG2-CD1 4.43Å; I543-L572 HydrophobicContact CG2-CD2 4.27Å; I543-L572 HydrophobicContact CG2-CG 4.45Å; L546-L572 HydrophobicContact CB-CD1 4.36Å; A547-L572 HydrophobicContact CB-CB 4.33Å; A547-L572 HydrophobicContact CB-CD1 4.02Å; L553-L572 HydrophobicContact CD2-CD1 4.34Å; L556-L572 HydrophobicContact CD2-CD2 3.4Å; L556-L572 VanDerWaalsContact CD2-CD2 3.4Å; S568-L572 PolarHBondContact O-N 2.91Å; L569-L572 WeakPolarHBondContact O-CB 3.49Å; L569-L572 PolarHBondContact O-N 3.06Å; L572-Q574 PolarHBondContact O-N 3.47Å; L572-S575 PolarHBondContact O-N 3.04Å; L572-S575 VanDerWaalsContact O-N 3.17Å; L572-C576 WeakPolarHBondContact O-CB 3.15Å; L572-C576 PolarHBondContact O-N 3.2Å; L572-L579 HydrophobicContact CD2-CD2 4.29Å; L572-L582 HydrophobicContact CD2-CD1 4.31Å
573	L	98	Very high	96.5	Very high	9 Å²	9	43 Å²	43	5%	0.047	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-31.1	-179.8	-70.9	161.2	0	0	0	112.7	L569 K570 K571 L579 L582 L598 F602 V605 I607	L569-L573 WeakPolarHBondContact O-CB 3.49Å; L569-L573 WeakPolarHBondContact O-CD1 3.33Å; L569-L573 VanDerWaalsContact O-CG 3.26Å; L569-L573 WeakPolarHBondContact O-CG 3.37Å; L569-L573 PolarHBondContact O-N 3.28Å; K570-L573 PolarHBondContact O-N 3.07Å; K571-L573 PolarHBondContact O-N 2.95Å; L573-L579 HydrophobicContact CD2-CD2 3.73Å; L573-L582 HydrophobicContact CD1-CD2 4.33Å; L573-L582 HydrophobicContact CD2-CD2 4.31Å; L573-L582 HydrophobicContact CG-CD2 4.4Å; L573-L598 HydrophobicContact CD1-CB 4.2Å; L573-L598 HydrophobicContact CD1-CD1 4.25Å; L573-L598 HydrophobicContact CD1-CD2 4.03Å; L573-L598 HydrophobicContact CD1-CG 4.39Å; L573-F602 HydrophobicContact CB-CD1 3.9Å; L573-F602 HydrophobicContact CB-CD2 3.72Å; L573-F602 HydrophobicContact CB-CE1 3.8Å; L573-F602 HydrophobicContact CB-CE2 3.63Å; L573-F602 HydrophobicContact CB-CG 3.87Å; L573-F602 HydrophobicContact CB-CZ 3.68Å; L573-F602 HydrophobicContact CD1-CD2 3.64Å; L573-F602 HydrophobicContact CD1-CE2 3.98Å; L573-F602 HydrophobicContact CD1-CG 4.26Å; L573-F602 HydrophobicContact CD2-CB 4.36Å; L573-F602 HydrophobicContact CD2-CD2 4.5Å; L573-F602 HydrophobicContact CD2-CG 4.32Å; L573-F602 HydrophobicContact CG-CD2 4.15Å; L573-F602 HydrophobicContact CG-CE2 4.41Å; L573-F602 HydrophobicContact CG-CG 4.38Å; L573-V605 HydrophobicContact CD2-CB 4.11Å; L573-V605 HydrophobicContact CD2-CG1 3.86Å; L573-V605 HydrophobicContact CD2-CG2 3.86Å; L573-I607 HydrophobicContact CD1-CD1 4Å
574	Q	97.1	Very high	96.7	Very high	123 Å²	123	38.9 Å²	38.9	58%	0.575	22%	0.215	S	C	*	.	H	α-helix	trans	-74	-36.6	175.1	-70.7	173.7	-31.7	0	0	112.9	K570 K571 L572 F602	K570-Q574 VanDerWaalsContact O-CG 3.28Å; K570-Q574 WeakPolarHBondContact O-CG 3.31Å; K570-Q574 PolarHBondContact O-N 2.81Å; K571-Q574 PolarHBondContact O-N 2.95Å; L572-Q574 PolarHBondContact O-N 3.47Å; Q574-F602 HydrophobicContact CG-CE1 4.19Å; Q574-F602 HydrophobicContact CG-CZ 3.74Å
575	S	97.4	Very high	96.6	Very high	56 Å²	56	38.8 Å²	38.8	39%	0.392	21%	0.214	S	C	.	.	H	α-helix	trans	-90	-20.2	-174.8	-57.6	0	0	0	0	114.2	A547 K571 L572 P577	A547-S575 WeakPolarHBondContact O-CB 3.41Å; K571-S575 PolarHBondContact O-N 2.84Å; K571-S575 PolarHBondContact O-OG 2.66Å; L572-S575 PolarHBondContact O-N 3.04Å; L572-S575 VanDerWaalsContact O-N 3.17Å; S575-P577 WeakPolarHBondContact O-CD 3.39Å
576	C	97.3	Very high	96.4	Very high	2 Å²	2	42 Å²	42	1%	0.014	23%	0.226	C	C	.	.			trans	-110.1	80.5	-179.4	-62.2	0	0	0	0	110.9	C550 L553 L572 Q578 L579	C550-C576 PolarHBondContact O-SG 3.3Å; C550-C576 VanDerWaalsContact O-SG 3.38Å; L553-C576 HydrophobicContact CB-CB 4.43Å; L572-C576 WeakPolarHBondContact O-CB 3.15Å; L572-C576 PolarHBondContact O-N 3.2Å; C576-Q578 PolarHBondContact O-N 3.29Å; C576-Q578 VanDerWaalsContact O-N 3.15Å; C576-L579 HydrophobicContact CB-CB 4.23Å; C576-L579 WeakPolarHBondContact O-CB 3.45Å; C576-L579 PolarHBondContact O-N 2.99Å; C576-L579 VanDerWaalsContact O-N 3.11Å
577	P	95.1	Very high	96.3	Very high	110 Å²	110	40.8 Å²	40.8	71%	0.714	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-14.4	-174.3	29.3	-37.5	0	0	0	114	S575	S575-P577 WeakPolarHBondContact O-CD 3.39Å
578	Q	95.5	Very high	95.9	Very high	96 Å²	96	40.5 Å²	40.5	45%	0.449	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	0.2	176.7	-60.1	-171	12.8	0	0	113	L553 Q554 C576 V580	L553-Q578 CarbonylContact O-C 3.38Å; L553-Q578 VanDerWaalsContact O-C 3.31Å; Q554-Q578 WeakPolarHBondContact CA-O 3.35Å; Q554-Q578 HydrophobicContact CG-CB 3.96Å; Q554-Q578 WeakPolarHBondContact CG-O 3.38Å; C576-Q578 PolarHBondContact O-N 3.29Å; C576-Q578 VanDerWaalsContact O-N 3.15Å; Q578-V580 WeakPolarHBondContact O-CG2 3.38Å; Q578-V580 PolarHBondContact O-N 2.82Å
579	L	96.8	Very high	95.7	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	24%	0.24	C	C	.	.			trans	-64.7	127.4	-178.4	-159.1	74.2	0	0	0	109.6	L553 Q554 L556 L572 L573 C576 L582 V605	L553-L579 HydrophobicContact CB-CD1 4.37Å; L553-L579 HydrophobicContact CD2-CD1 4.17Å; L553-L579 HydrophobicContact CG-CD1 3.99Å; L553-L579 WeakPolarHBondContact O-CA 3.43Å; L553-L579 PolarHBondContact O-N 3.07Å; L553-L579 VanDerWaalsContact O-N 3.12Å; Q554-L579 CarbonylContact O-C 3.48Å; Q554-L579 WeakPolarHBondContact O-CA 3.38Å; Q554-L579 WeakPolarHBondContact O-CD1 3.19Å; L556-L579 HydrophobicContact CB-CD1 4.34Å; L572-L579 HydrophobicContact CD2-CD2 4.29Å; L573-L579 HydrophobicContact CD2-CD2 3.73Å; C576-L579 HydrophobicContact CB-CB 4.23Å; C576-L579 WeakPolarHBondContact O-CB 3.45Å; C576-L579 PolarHBondContact O-N 2.99Å; C576-L579 VanDerWaalsContact O-N 3.11Å; L579-L582 HydrophobicContact CD2-CB 4.13Å; L579-V605 HydrophobicContact CD2-CG1 4.16Å; L579-V605 HydrophobicContact CG-CG1 4.24Å; L579-V605 WeakPolarHBondContact O-CG2 3.37Å
580	V	94.4	Very high	95.4	Very high	77 Å²	77	45.4 Å²	45.4	47%	0.467	24%	0.24	S	C	.	.			trans	-116.8	-28.1	-179.8	-175.4	0	0	0	0	111	Q554 Q578 A606	Q554-V580 PolarHBondContact O-N 3.39Å; Q578-V580 WeakPolarHBondContact O-CG2 3.38Å; Q578-V580 PolarHBondContact O-N 2.82Å; V580-A606 WeakPolarHBondContact O-CB 3.48Å; V580-A606 PolarHBondContact O-N 3.28Å
581	L	94.8	Very high	95.2	Very high	15 Å²	15	45.4 Å²	45.4	8%	0.079	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	129.3	-179.4	-170.2	153	0	0	0	110.4	Y95 Q554 H555 L556 D583	Y95-L581 HydrophobicContact CE2-CD1 4.24Å; Q554-L581 PolarHBondContact O-N 2.78Å; H555-L581 WeakPolarHBondContact CA-O 3.28Å; H555-L581 HydrophobicContact CB-CB 4.41Å; H555-L581 VanDerWaalsContact CD2-CB 3.45Å; H555-L581 WeakPolarHBondContact CD2-CB 3.48Å; L556-L581 PolarHBondContact N-O 2.88Å; L581-D583 HydrophobicContact CD2-CB 4.31Å
582	L	96.9	Very high	95.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	112.4	173.3	173	59.7	0	0	0	108.9	L556 L569 L572 L573 L579 V584 V605 A606 I607 K608	L556-L582 HydrophobicContact CB-CD1 4.11Å; L556-L582 HydrophobicContact CD2-CD1 4.02Å; L556-L582 HydrophobicContact CG-CD1 4.2Å; L556-L582 CarbonylContact O-C 3.53Å; L556-L582 WeakPolarHBondContact O-CA 3.09Å; L569-L582 HydrophobicContact CD2-CD1 4.39Å; L569-L582 HydrophobicContact CD2-CD2 4.2Å; L572-L582 HydrophobicContact CD2-CD1 4.31Å; L573-L582 HydrophobicContact CD1-CD2 4.33Å; L573-L582 HydrophobicContact CD2-CD2 4.31Å; L573-L582 HydrophobicContact CG-CD2 4.4Å; L579-L582 HydrophobicContact CD2-CB 4.13Å; L582-V584 HydrophobicContact CD1-CG1 4.14Å; L582-V584 HydrophobicContact CD2-CG1 4.32Å; L582-V584 HydrophobicContact CG-CG1 3.95Å; L582-V605 HydrophobicContact CB-CG1 4.28Å; L582-A606 PolarHBondContact N-O 2.73Å; L582-A606 VanDerWaalsContact N-O 3.09Å; L582-I607 HydrophobicContact CB-CG1 4.45Å; L582-I607 HydrophobicContact CD2-CG2 4.41Å; L582-I607 HydrophobicContact CG-CG2 4.49Å; L582-I607 CarbonylContact O-C 3.59Å; L582-I607 VanDerWaalsContact O-CA 3.29Å; L582-I607 WeakPolarHBondContact O-CA 2.96Å; L582-K608 PolarHBondContact O-N 2.76Å
583	D	95.9	Very high	94.9	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.6	177.2	-160.7	-19.1	0	0	0	111.5	Y211 L556 D557 I558 L581 S585 K608	Y211-D583 VanDerWaalsContact CE2-OD2 3.25Å; Y211-D583 WeakPolarHBondContact CE2-OD2 3.29Å; Y211-D583 PolarHBondContact OH-OD2 3.22Å; L556-D583 PolarHBondContact O-N 3.36Å; D557-D583 HydrophobicContact CB-CB 4.18Å; I558-D583 VanDerWaalsContact CG1-O 3.24Å; I558-D583 WeakPolarHBondContact CG1-O 3.24Å; I558-D583 PolarHBondContact N-O 3.29Å; L581-D583 HydrophobicContact CD2-CB 4.31Å; D583-S585 WeakPolarHBondContact OD1-CB 3.38Å; D583-S585 PolarHBondContact OD1-N 3.03Å; D583-S585 PolarHBondContact OD1-OG 3.36Å; D583-K608 HydrophobicContact CB-CB 4.34Å
584	V	96.6	Very high	94.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.286	C	S	.	.			trans	-119.5	21.8	178.2	-62.1	0	0	0	0	111.6	I558 L569 L582 F586 C587 V590 V595 I607 K608 K609	I558-V584 HydrophobicContact CD1-CG1 4.13Å; I558-V584 HydrophobicContact CG1-CG1 4.14Å; L569-V584 HydrophobicContact CD1-CG1 3.71Å; L569-V584 HydrophobicContact CD2-CG1 4.44Å; L582-V584 HydrophobicContact CD1-CG1 4.14Å; L582-V584 HydrophobicContact CD2-CG1 4.32Å; L582-V584 HydrophobicContact CG-CG1 3.95Å; V584-F586 PolarHBondContact O-N 3.09Å; V584-C587 VanDerWaalsContact C-SG 3.6Å; V584-C587 HydrophobicContact CB-CB 4.3Å; V584-C587 VanDerWaalsContact O-CB 3.29Å; V584-C587 WeakPolarHBondContact O-CB 3.49Å; V584-C587 PolarHBondContact O-N 3.3Å; V584-C587 VanDerWaalsContact O-N 3.15Å; V584-C587 PolarHBondContact O-SG 2.82Å; V584-C587 VanDerWaalsContact O-SG 3.39Å; V584-V590 HydrophobicContact CB-CG1 4.44Å; V584-V590 HydrophobicContact CG2-CG1 4.16Å; V584-V595 HydrophobicContact CG2-CG2 3.8Å; V584-I607 HydrophobicContact CG2-CG2 3.96Å; V584-K608 WeakPolarHBondContact CG2-O 3.09Å; V584-K608 PolarHBondContact N-O 3.36Å; V584-K609 HydrophobicContact CG2-CB 4.36Å
585	S	94.2	Very high	94.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	136.5	174.6	-63.7	0	0	0	0	110.5	Y211 L559 G560 D583 C587 K608 S610	Y211-S585 PolarHBondContact OH-OG 2.83Å; L559-S585 CarbonylContact C-O 3.59Å; L559-S585 WeakPolarHBondContact CA-O 3.28Å; G560-S585 PolarHBondContact N-O 2.96Å; D583-S585 WeakPolarHBondContact OD1-CB 3.38Å; D583-S585 PolarHBondContact OD1-N 3.03Å; D583-S585 PolarHBondContact OD1-OG 3.36Å; S585-C587 PolarHBondContact O-N 2.8Å; S585-C587 VanDerWaalsContact O-N 3.07Å; S585-K608 PolarHBondContact N-O 2.71Å; S585-S610 WeakPolarHBondContact OG-CB 3.42Å; S585-S610 PolarHBondContact OG-N 3.44Å
586	F	92.7	Very high	94.7	Very high	88 Å²	88	52.1 Å²	52.1	39%	0.386	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	17.9	-176.9	-51.3	-73	0	0	0	116.1	Y68 D85 L559 V584 S588 S610	Y68-F586 WeakPolarHBondContact OH-CZ 3.3Å; D85-F586 HydrophobicContact CB-CZ 4.2Å; D85-F586 VanDerWaalsContact CG-CZ 3.43Å; D85-F586 WeakPolarHBondContact OD1-CZ 3.46Å; D85-F586 WeakPolarHBondContact OD2-CE2 3.02Å; D85-F586 VanDerWaalsContact OD2-CZ 3.3Å; D85-F586 WeakPolarHBondContact OD2-CZ 3.28Å; L559-F586 HydrophobicContact CD1-CD2 4.4Å; L559-F586 HydrophobicContact CD2-CD2 3.88Å; L559-F586 HydrophobicContact CG-CD2 4.03Å; V584-F586 PolarHBondContact O-N 3.09Å; F586-S588 PolarHBondContact O-N 3.42Å; F586-S610 VanDerWaalsContact CZ-OG 3.28Å; F586-S610 WeakPolarHBondContact CZ-OG 3.14Å
587	C	93.9	Very high	94.7	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.02	30%	0.3	C	S	.	.			trans	-77	109.8	168.9	-64.1	0	0	0	0	110.7	I558 T561 V584 S585 Q589 V590	I558-C587 PolarHBondContact O-SG 2.67Å; T561-C587 VanDerWaalsContact O-CA 3.32Å; T561-C587 WeakPolarHBondContact O-CA 3.24Å; T561-C587 PolarHBondContact OG1-SG 3.26Å; V584-C587 VanDerWaalsContact C-SG 3.6Å; V584-C587 HydrophobicContact CB-CB 4.3Å; V584-C587 VanDerWaalsContact O-CB 3.29Å; V584-C587 WeakPolarHBondContact O-CB 3.49Å; V584-C587 PolarHBondContact O-N 3.3Å; V584-C587 VanDerWaalsContact O-N 3.15Å; V584-C587 PolarHBondContact O-SG 2.82Å; V584-C587 VanDerWaalsContact O-SG 3.39Å; S585-C587 PolarHBondContact O-N 2.8Å; S585-C587 VanDerWaalsContact O-N 3.07Å; C587-Q589 VanDerWaalsContact C-N 3.29Å; C587-Q589 PolarHBondContact O-N 3.43Å; C587-V590 HydrophobicContact CB-CB 4.06Å; C587-V590 HydrophobicContact CB-CG2 4.03Å; C587-V590 PolarHBondContact O-N 2.82Å
588	S	89.1	Confident	94.8	Very high	90 Å²	90	53.4 Å²	53.4	63%	0.629	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.9	-169.5	52.2	0	0	0	0	115	R562 F586	R562-S588 PolarHBondContact O-OG 2.82Å; F586-S588 PolarHBondContact O-N 3.42Å
589	Q	92	Very high	94.9	Very high	104 Å²	104	50.8 Å²	50.8	49%	0.486	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	1.2	179.7	-62.9	-172.6	27.5	0	0	113.5	R562 V564 C587	R562-Q589 WeakPolarHBondContact O-CG 3.39Å; R562-Q589 PolarHBondContact O-NE2 2.74Å; V564-Q589 WeakPolarHBondContact O-CB 3.43Å; C587-Q589 VanDerWaalsContact C-N 3.29Å; C587-Q589 PolarHBondContact O-N 3.43Å
590	V	93.7	Very high	94.9	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.006	29%	0.289	C	S	.	.			trans	-115.1	98.6	179.6	-176.5	0	0	0	0	107.6	V564 L569 V584 C587 A594 V595 K609	V564-V590 WeakPolarHBondContact O-CG2 3.35Å; L569-V590 HydrophobicContact CD1-CG1 4.22Å; L569-V590 HydrophobicContact CD1-CG2 3.77Å; V584-V590 HydrophobicContact CB-CG1 4.44Å; V584-V590 HydrophobicContact CG2-CG1 4.16Å; C587-V590 HydrophobicContact CB-CB 4.06Å; C587-V590 HydrophobicContact CB-CG2 4.03Å; C587-V590 PolarHBondContact O-N 2.82Å; V590-A594 HydrophobicContact CG1-CB 4.42Å; V590-V595 HydrophobicContact CG1-CG2 3.76Å; V590-K609 WeakPolarHBondContact O-CE 3.33Å; V590-K609 PolarHBondContact O-NZ 3.17Å
591	D	92.9	Very high	95.1	Very high	87 Å²	87	55.7 Å²	55.7	47%	0.465	29%	0.29	S	S	.	.			trans	-80.6	174.8	178.2	73.2	18.8	0	0	0	112.3	R593 A594 V595	D591-R593 VanDerWaalsContact C-N 3.28Å; D591-R593 PolarHBondContact O-N 2.82Å; D591-R593 WeakPolarHBondContact OD1-CB 3.37Å; D591-R593 PolarHBondContact OD1-N 3.49Å; D591-A594 PolarHBondContact O-N 2.94Å; D591-A594 WeakPolarHBondContact OD1-CB 3.4Å; D591-A594 PolarHBondContact OD1-N 3.24Å; D591-V595 PolarHBondContact O-N 2.8Å
592	T	93.8	Very high	95.2	Very high	82 Å²	82	56.6 Å²	56.6	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-66.7	-29.6	-178.8	-52.3	0	0	0	0	112.5	V595 Q596	T592-V595 PolarHBondContact O-N 3.43Å; T592-Q596 VanDerWaalsContact O-CG 3.31Å; T592-Q596 WeakPolarHBondContact O-CG 3.29Å; T592-Q596 PolarHBondContact O-N 3.08Å
593	R	94.9	Very high	95.1	Very high	185 Å²	185	62 Å²	62	70%	0.698	33%	0.329	S	S	*	.	H	α-helix	trans	-68.8	-45.4	179	-64.3	178.1	-176.2	168.8	1.5	110.3	D591 V595 Q596 E597	D591-R593 VanDerWaalsContact C-N 3.28Å; D591-R593 PolarHBondContact O-N 2.82Å; D591-R593 WeakPolarHBondContact OD1-CB 3.37Å; D591-R593 PolarHBondContact OD1-N 3.49Å; R593-V595 VanDerWaalsContact C-N 3.3Å; R593-V595 PolarHBondContact O-N 3.47Å; R593-Q596 WeakPolarHBondContact O-CB 3.39Å; R593-Q596 PolarHBondContact O-N 3.12Å; R593-Q596 VanDerWaalsContact O-N 3.13Å; R593-E597 WeakPolarHBondContact O-CG 3.14Å; R593-E597 PolarHBondContact O-N 3.11Å
594	A	95.8	Very high	95.1	Very high	13 Å²	13	66.4 Å²	66.4	11%	0.107	36%	0.36	C	S	.	.	H	α-helix	trans	-57.4	-42.6	174	0	0	0	0	0	111.8	A566 V590 D591 E597 L598	A566-A594 HydrophobicContact CB-CB 3.81Å; V590-A594 HydrophobicContact CG1-CB 4.42Å; D591-A594 PolarHBondContact O-N 2.94Å; D591-A594 WeakPolarHBondContact OD1-CB 3.4Å; D591-A594 PolarHBondContact OD1-N 3.24Å; A594-E597 PolarHBondContact O-N 3.47Å; A594-L598 WeakPolarHBondContact O-CB 3.42Å; A594-L598 VanDerWaalsContact O-CG 3.27Å; A594-L598 WeakPolarHBondContact O-CG 3.11Å; A594-L598 PolarHBondContact O-N 2.61Å
595	V	96.6	Very high	95.1	Very high	13 Å²	13	67.1 Å²	67.1	8%	0.079	36%	0.364	C	S	.	.	H	α-helix	trans	-63.9	-41.2	175.8	172.9	0	0	0	0	112	V584 V590 D591 T592 R593 L598 S599 I607 K609	V584-V595 HydrophobicContact CG2-CG2 3.8Å; V590-V595 HydrophobicContact CG1-CG2 3.76Å; D591-V595 PolarHBondContact O-N 2.8Å; T592-V595 PolarHBondContact O-N 3.43Å; R593-V595 VanDerWaalsContact C-N 3.3Å; R593-V595 PolarHBondContact O-N 3.47Å; V595-L598 PolarHBondContact O-N 3.47Å; V595-S599 VanDerWaalsContact O-CB 3.27Å; V595-S599 WeakPolarHBondContact O-CB 3.22Å; V595-S599 PolarHBondContact O-N 3.47Å; V595-S599 PolarHBondContact O-OG 3.42Å; V595-I607 HydrophobicContact CG1-CB 4.24Å; V595-I607 HydrophobicContact CG1-CG2 3.82Å; V595-I607 HydrophobicContact CG2-CG2 4.33Å; V595-K609 HydrophobicContact CB-CD 4.46Å; V595-K609 HydrophobicContact CG1-CB 4.42Å; V595-K609 HydrophobicContact CG2-CB 4.17Å; V595-K609 HydrophobicContact CG2-CD 3.8Å
596	Q	96.4	Very high	95	Very high	125 Å²	125	69 Å²	69	58%	0.584	38%	0.379	S	S	*	.	H	α-helix	trans	-63.4	-44.4	176.4	-73	169	-14.9	0	0	111.7	T592 R593 S599 S600	T592-Q596 VanDerWaalsContact O-CG 3.31Å; T592-Q596 WeakPolarHBondContact O-CG 3.29Å; T592-Q596 PolarHBondContact O-N 3.08Å; R593-Q596 WeakPolarHBondContact O-CB 3.39Å; R593-Q596 PolarHBondContact O-N 3.12Å; R593-Q596 VanDerWaalsContact O-N 3.13Å; Q596-S599 PolarHBondContact O-N 3.38Å; Q596-S600 WeakPolarHBondContact O-CB 3.42Å; Q596-S600 PolarHBondContact O-N 3.17Å
597	E	97.4	Very high	95.2	Very high	130 Å²	130	65.6 Å²	65.6	61%	0.607	37%	0.365	S	S	*	.	H	α-helix	trans	-60.3	-49.9	175.5	-72.7	176.8	-169.2	0	0	111.2	R593 A594 S599 S600 L601	R593-E597 WeakPolarHBondContact O-CG 3.14Å; R593-E597 PolarHBondContact O-N 3.11Å; A594-E597 PolarHBondContact O-N 3.47Å; E597-S599 VanDerWaalsContact C-N 3.35Å; E597-S599 PolarHBondContact O-N 3.29Å; E597-S600 WeakPolarHBondContact O-CB 3.5Å; E597-S600 PolarHBondContact O-N 2.8Å; E597-S600 PolarHBondContact O-OG 3.07Å; E597-L601 WeakPolarHBondContact O-CG 3.25Å; E597-L601 PolarHBondContact O-N 2.89Å; E597-L601 VanDerWaalsContact O-N 3.12Å
598	L	97.6	Very high	95.2	Very high	9 Å²	9	67 Å²	67	5%	0.047	37%	0.371	C	S	.	.	H	α-helix	trans	-62.2	-41.7	178	-68.7	176.1	0	0	0	111.7	L569 K570 L573 A594 V595 S600 L601 F602 I607	L569-L598 HydrophobicContact CB-CD1 4.05Å; L569-L598 HydrophobicContact CD1-CD1 4.44Å; K570-L598 HydrophobicContact CB-CD2 3.84Å; K570-L598 HydrophobicContact CG-CD2 4.18Å; L573-L598 HydrophobicContact CD1-CB 4.2Å; L573-L598 HydrophobicContact CD1-CD1 4.25Å; L573-L598 HydrophobicContact CD1-CD2 4.03Å; L573-L598 HydrophobicContact CD1-CG 4.39Å; A594-L598 WeakPolarHBondContact O-CB 3.42Å; A594-L598 VanDerWaalsContact O-CG 3.27Å; A594-L598 WeakPolarHBondContact O-CG 3.11Å; A594-L598 PolarHBondContact O-N 2.61Å; V595-L598 PolarHBondContact O-N 3.47Å; L598-S600 VanDerWaalsContact C-N 3.26Å; L598-S600 PolarHBondContact O-N 3.09Å; L598-L601 PolarHBondContact O-N 3.23Å; L598-L601 VanDerWaalsContact O-N 3.15Å; L598-F602 HydrophobicContact CD2-CE2 4.44Å; L598-F602 WeakPolarHBondContact O-CD2 3.29Å; L598-F602 PolarHBondContact O-N 2.99Å; L598-I607 HydrophobicContact CB-CD1 3.56Å
599	S	96.8	Very high	95.4	Very high	41 Å²	41	65 Å²	65	29%	0.287	35%	0.351	S	S	.	.	H	α-helix	trans	-64.4	-33.1	177.7	-57	0	0	0	0	111.9	V595 Q596 E597 F602 P603	V595-S599 VanDerWaalsContact O-CB 3.27Å; V595-S599 WeakPolarHBondContact O-CB 3.22Å; V595-S599 PolarHBondContact O-N 3.47Å; V595-S599 PolarHBondContact O-OG 3.42Å; Q596-S599 PolarHBondContact O-N 3.38Å; E597-S599 VanDerWaalsContact C-N 3.35Å; E597-S599 PolarHBondContact O-N 3.29Å; S599-F602 CarbonylContact O-C 3.46Å; S599-P603 WeakPolarHBondContact O-CA 3.32Å
600	S	97.4	Very high	95.3	Very high	88 Å²	88	60.8 Å²	60.8	62%	0.615	33%	0.333	S	S	*	.	H	α-helix	trans	-68.4	-35.3	174.8	80.9	0	0	0	0	112.5	Q596 E597 L598	Q596-S600 WeakPolarHBondContact O-CB 3.42Å; Q596-S600 PolarHBondContact O-N 3.17Å; E597-S600 WeakPolarHBondContact O-CB 3.5Å; E597-S600 PolarHBondContact O-N 2.8Å; E597-S600 PolarHBondContact O-OG 3.07Å; L598-S600 VanDerWaalsContact C-N 3.26Å; L598-S600 PolarHBondContact O-N 3.09Å
601	L	97.3	Very high	95	Very high	94 Å²	94	63.1 Å²	63.1	49%	0.492	34%	0.343	S	S	.	.	H	α-helix	trans	-79	-29.2	178.6	-67.5	173.9	0	0	0	112.7	E597 L598	E597-L601 WeakPolarHBondContact O-CG 3.25Å; E597-L601 PolarHBondContact O-N 2.89Å; E597-L601 VanDerWaalsContact O-N 3.12Å; L598-L601 PolarHBondContact O-N 3.23Å; L598-L601 VanDerWaalsContact O-N 3.15Å
602	F	97.4	Very high	94.7	Very high	35 Å²	35	63 Å²	63	15%	0.154	35%	0.346	C	S	.	.			trans	-130.1	66.2	-174.3	-57.3	-79.8	0	0	0	111.2	K570 L573 Q574 L598 S599 S604 V605	K570-F602 HydrophobicContact CG-CE2 4.37Å; L573-F602 HydrophobicContact CB-CD1 3.9Å; L573-F602 HydrophobicContact CB-CD2 3.72Å; L573-F602 HydrophobicContact CB-CE1 3.8Å; L573-F602 HydrophobicContact CB-CE2 3.63Å; L573-F602 HydrophobicContact CB-CG 3.87Å; L573-F602 HydrophobicContact CB-CZ 3.68Å; L573-F602 HydrophobicContact CD1-CD2 3.64Å; L573-F602 HydrophobicContact CD1-CE2 3.98Å; L573-F602 HydrophobicContact CD1-CG 4.26Å; L573-F602 HydrophobicContact CD2-CB 4.36Å; L573-F602 HydrophobicContact CD2-CD2 4.5Å; L573-F602 HydrophobicContact CD2-CG 4.32Å; L573-F602 HydrophobicContact CG-CD2 4.15Å; L573-F602 HydrophobicContact CG-CE2 4.41Å; L573-F602 HydrophobicContact CG-CG 4.38Å; Q574-F602 HydrophobicContact CG-CE1 4.19Å; Q574-F602 HydrophobicContact CG-CZ 3.74Å; L598-F602 HydrophobicContact CD2-CE2 4.44Å; L598-F602 WeakPolarHBondContact O-CD2 3.29Å; L598-F602 PolarHBondContact O-N 2.99Å; S599-F602 CarbonylContact O-C 3.46Å; F602-S604 PolarHBondContact O-N 3.39Å; F602-S604 VanDerWaalsContact O-N 3.13Å; F602-V605 HydrophobicContact CB-CB 4.4Å; F602-V605 HydrophobicContact CB-CG2 3.93Å; F602-V605 PolarHBondContact O-N 2.85Å
603	P	95.7	Very high	93.9	Very high	114 Å²	114	66.6 Å²	66.6	74%	0.74	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.7	-171.2	27.4	-36.6	0	0	0	114.4	S599 V605	S599-P603 WeakPolarHBondContact O-CA 3.32Å; P603-V605 VanDerWaalsContact C-N 3.28Å
604	S	94.8	Very high	93.9	Very high	93 Å²	93	60.7 Å²	60.7	65%	0.65	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.8	174.7	57.3	0	0	0	0	113.6	F602	F602-S604 PolarHBondContact O-N 3.39Å; F602-S604 VanDerWaalsContact O-N 3.13Å
605	V	95.8	Very high	93.8	Very high	14 Å²	14	63.2 Å²	63.2	9%	0.085	35%	0.352	C	S	.	.	S	Bend	trans	-104	121.9	-176.7	-166.9	0	0	0	0	109.7	L573 L579 L582 F602 P603 I607	L573-V605 HydrophobicContact CD2-CB 4.11Å; L573-V605 HydrophobicContact CD2-CG1 3.86Å; L573-V605 HydrophobicContact CD2-CG2 3.86Å; L579-V605 HydrophobicContact CD2-CG1 4.16Å; L579-V605 HydrophobicContact CG-CG1 4.24Å; L579-V605 WeakPolarHBondContact O-CG2 3.37Å; L582-V605 HydrophobicContact CB-CG1 4.28Å; F602-V605 HydrophobicContact CB-CB 4.4Å; F602-V605 HydrophobicContact CB-CG2 3.93Å; F602-V605 PolarHBondContact O-N 2.85Å; P603-V605 VanDerWaalsContact C-N 3.28Å; V605-I607 HydrophobicContact CB-CG1 4.35Å; V605-I607 HydrophobicContact CG1-CG1 4.13Å; V605-I607 PolarHBondContact O-N 2.81Å
606	A	94	Very high	93.6	Very high	39 Å²	39	66 Å²	66	32%	0.322	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	90.9	171.6	0	0	0	0	0	109.9	V580 L582 K608	V580-A606 WeakPolarHBondContact O-CB 3.48Å; V580-A606 PolarHBondContact O-N 3.28Å; L582-A606 PolarHBondContact N-O 2.73Å; L582-A606 VanDerWaalsContact N-O 3.09Å; A606-K608 PolarHBondContact O-N 2.92Å
607	I	96	Very high	93.5	Very high	18 Å²	18	62.5 Å²	62.5	9%	0.092	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	109.6	175.6	-51.2	179.1	0	0	0	108.9	L573 L582 V584 V595 L598 V605	L573-I607 HydrophobicContact CD1-CD1 4Å; L582-I607 HydrophobicContact CB-CG1 4.45Å; L582-I607 HydrophobicContact CD2-CG2 4.41Å; L582-I607 HydrophobicContact CG-CG2 4.49Å; L582-I607 CarbonylContact O-C 3.59Å; L582-I607 VanDerWaalsContact O-CA 3.29Å; L582-I607 WeakPolarHBondContact O-CA 2.96Å; V584-I607 HydrophobicContact CG2-CG2 3.96Å; V595-I607 HydrophobicContact CG1-CB 4.24Å; V595-I607 HydrophobicContact CG1-CG2 3.82Å; V595-I607 HydrophobicContact CG2-CG2 4.33Å; L598-I607 HydrophobicContact CB-CD1 3.56Å; V605-I607 HydrophobicContact CB-CG1 4.35Å; V605-I607 HydrophobicContact CG1-CG1 4.13Å; V605-I607 PolarHBondContact O-N 2.81Å
608	K	93.9	Very high	93.2	Very high	31 Å²	31	58.3 Å²	58.3	14%	0.135	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	133.6	-177.9	-56.7	-57.2	-177.4	-180	0	110.7	D210 Y211 L582 D583 V584 S585 A606	D210-K608 WeakPolarHBondContact O-CE 3.12Å; D210-K608 PolarHBondContact O-NZ 2.85Å; Y211-K608 HydrophobicContact CD2-CB 4.28Å; Y211-K608 HydrophobicContact CD2-CD 4.18Å; Y211-K608 HydrophobicContact CD2-CG 3.98Å; Y211-K608 HydrophobicContact CE2-CB 4.03Å; Y211-K608 HydrophobicContact CE2-CG 4.12Å; L582-K608 PolarHBondContact O-N 2.76Å; D583-K608 HydrophobicContact CB-CB 4.34Å; V584-K608 WeakPolarHBondContact CG2-O 3.09Å; V584-K608 PolarHBondContact N-O 3.36Å; S585-K608 PolarHBondContact N-O 2.71Å; A606-K608 PolarHBondContact O-N 2.92Å
609	K	92.8	Very high	92.9	Very high	49 Å²	49	61.6 Å²	61.6	21%	0.213	36%	0.358	C	S	.	.			trans	-140.7	119	170.2	-174.1	179.1	176	65.7	0	109.1	V584 V590 V595	V584-K609 HydrophobicContact CG2-CB 4.36Å; V590-K609 WeakPolarHBondContact O-CE 3.33Å; V590-K609 PolarHBondContact O-NZ 3.17Å; V595-K609 HydrophobicContact CB-CD 4.46Å; V595-K609 HydrophobicContact CG1-CB 4.42Å; V595-K609 HydrophobicContact CG2-CB 4.17Å; V595-K609 HydrophobicContact CG2-CD 3.8Å
610	S	90.7	Very high	92.6	Very high	15 Å²	15	63.1 Å²	63.1	11%	0.105	36%	0.363	C	S	.	.			trans	-59	149.3	173.2	176.2	0	0	0	0	113.1	D85 S585 F586	D85-S610 WeakPolarHBondContact CB-OG 3.33Å; D85-S610 VanDerWaalsContact OD2-CB 3.29Å; D85-S610 WeakPolarHBondContact OD2-CB 3.28Å; D85-S610 PolarHBondContact OD2-OG 2.84Å; S585-S610 WeakPolarHBondContact OG-CB 3.42Å; S585-S610 PolarHBondContact OG-N 3.44Å; F586-S610 VanDerWaalsContact CZ-OG 3.28Å; F586-S610 WeakPolarHBondContact CZ-OG 3.14Å
611	F	87.5	Confident	92.3	Very high	50 Å²	50	61.2 Å²	61.2	22%	0.219	34%	0.344	C	S	.	.			trans	-142.7	158.3	179.4	64.9	-96.8	0	0	0	111.3	G84 D85 Y141 Y142 P181 Q613	G84-F611 CarbonylContact C-O 3.57Å; G84-F611 WeakPolarHBondContact CA-O 3.35Å; D85-F611 PolarHBondContact N-O 3.41Å; Y141-F611 HydrophobicContact CD2-CE1 4.45Å; Y141-F611 HydrophobicContact CD2-CE2 4.32Å; Y141-F611 HydrophobicContact CD2-CZ 4.02Å; Y141-F611 AromaticContact CE2-CD1 3.98Å; Y141-F611 HydrophobicContact CE2-CD1 3.98Å; Y141-F611 HydrophobicContact CE2-CD2 4.37Å; Y141-F611 AromaticContact CE2-CE1 3.53Å; Y141-F611 HydrophobicContact CE2-CE1 3.53Å; Y141-F611 AromaticContact CE2-CE2 3.96Å; Y141-F611 HydrophobicContact CE2-CE2 3.96Å; Y141-F611 HydrophobicContact CE2-CG 4.38Å; Y141-F611 AromaticContact CE2-CZ 3.52Å; Y141-F611 HydrophobicContact CE2-CZ 3.52Å; Y142-F611 HydrophobicContact CE2-CE1 4.24Å; P181-F611 HydrophobicContact CB-CZ 3.91Å; P181-F611 HydrophobicContact CG-CE1 4.3Å; P181-F611 HydrophobicContact CG-CZ 3.73Å; F611-Q613 HydrophobicContact CD2-CG 3.98Å; F611-Q613 HydrophobicContact CE2-CG 4.39Å
612	T	86	Confident	91.9	Very high	86 Å²	86	58.4 Å²	58.4	53%	0.528	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-129.8	140.5	167.4	56.1	0	0	0	0	109.3	D85 F86	D85-T612 VanDerWaalsContact O-CG2 3.26Å; D85-T612 WeakPolarHBondContact O-CG2 3.22Å; F86-T612 HydrophobicContact CD1-CG2 4.4Å; F86-T612 HydrophobicContact CD2-CG2 4.37Å; F86-T612 HydrophobicContact CE1-CG2 4.03Å; F86-T612 HydrophobicContact CE2-CG2 4.02Å; F86-T612 HydrophobicContact CZ-CG2 3.84Å
613	Q	77.8	Confident	91.4	Very high	157 Å²	157	60.5 Å²	60.5	73%	0.734	35%	0.348	S	S	*	.			trans	-136.3	0	-175.8	-70.8	178.9	25.9	0	0	111.7	S83 F611	S83-Q613 PolarHBondContact N-O 2.9Å; S83-Q613 VanDerWaalsContact N-O 3.11Å; S83-Q613 WeakPolarHBondContact O-CA 3.06Å; S83-Q613 PolarHBondContact O-N 3.22Å; F611-Q613 HydrophobicContact CD2-CG 3.98Å; F611-Q613 HydrophobicContact CE2-CG 4.39Å

Retrieved 613 of 613 residues in 1053.2 ms (Link to these results)

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