A0A3Q0KUC6_SCHMA Loading...

T-cell immunomodulatory protein

AlphaFold DB , UniProt , Accession A0A3Q0KUC6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 669 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	47.6	Very low	51	Low	192 Å²	192	126.3 Å²	126.3	95%	0.946	64%	0.641	S	S	*	*				0	-72.8	0	-127.7	-172.3	-64.9	0	0	114.2	E4 L5	M1-E4 WeakPolarHBondContact CA-OE2 3.5Å; M1-E4 PolarHBondContact N-OE2 3.02Å; M1-E4 PolarHBondContact O-N 3.43Å; M1-L5 PolarHBondContact O-N 3.43Å
2	L	51.8	Low	50.3	Low	157 Å²	157	122.3 Å²	122.3	82%	0.822	63%	0.634	S	S	*	*	H	α-helix	trans	-67.8	-37.2	-178.3	-92.6	153.5	0	0	0	114.3	Y6	L2-Y6 PolarHBondContact O-N 3.28Å
3	A	54.1	Low	49.2	Very low	79 Å²	79	122.2 Å²	122.2	65%	0.653	63%	0.634	S	S	*	*	H	α-helix	trans	-71.1	-33.3	176.6	0	0	0	0	0	113.2	Y6 L7	A3-Y6 PolarHBondContact O-N 3.44Å; A3-L7 PolarHBondContact O-N 2.97Å
4	E	60.5	Low	48.4	Very low	129 Å²	129	120.7 Å²	120.7	60%	0.603	63%	0.632	S	S	*	*	H	α-helix	trans	-71.5	-35.2	177.6	-72.1	163	142	0	0	111.9	M1 Y6 L7 L8	M1-E4 WeakPolarHBondContact CA-OE2 3.5Å; M1-E4 PolarHBondContact N-OE2 3.02Å; M1-E4 PolarHBondContact O-N 3.43Å; E4-Y6 VanDerWaalsContact C-N 3.3Å; E4-Y6 PolarHBondContact O-N 3.16Å; E4-L7 PolarHBondContact O-N 3.1Å; E4-L8 PolarHBondContact O-N 3.28Å; E4-L8 VanDerWaalsContact O-N 3.09Å
5	L	57.1	Low	47.3	Very low	117 Å²	117	120.6 Å²	120.6	61%	0.613	63%	0.633	S	S	*	*	H	α-helix	trans	-65	-35.6	175.7	-146.8	86.1	0	0	0	111.7	M1 L9	M1-L5 PolarHBondContact O-N 3.43Å; L5-L9 PolarHBondContact O-N 2.87Å; L5-L9 VanDerWaalsContact O-N 3.16Å
6	Y	54.3	Low	46.5	Very low	165 Å²	165	118.3 Å²	118.3	65%	0.647	63%	0.629	S	S	*	*	H	α-helix	trans	-72.1	-39	179.2	-137.2	-92.6	0	0	0	112.1	L2 A3 E4 L9 L10	L2-Y6 PolarHBondContact O-N 3.28Å; A3-Y6 PolarHBondContact O-N 3.44Å; E4-Y6 VanDerWaalsContact C-N 3.3Å; E4-Y6 PolarHBondContact O-N 3.16Å; Y6-L9 PolarHBondContact O-N 3.41Å; Y6-L10 HydrophobicContact CD1-CD1 4.07Å; Y6-L10 HydrophobicContact CE1-CD1 4.48Å; Y6-L10 PolarHBondContact O-N 3.12Å; Y6-L10 VanDerWaalsContact O-N 3.09Å
7	L	54.7	Low	45.7	Very low	107 Å²	107	118.8 Å²	118.8	56%	0.56	63%	0.632	S	S	*	*	H	α-helix	trans	-67.5	-40.4	176.3	-130.9	92.9	0	0	0	111.6	A3 E4 L9 L10 F11	A3-L7 PolarHBondContact O-N 2.97Å; E4-L7 PolarHBondContact O-N 3.1Å; L7-L9 VanDerWaalsContact C-N 3.35Å; L7-L10 PolarHBondContact O-N 3.01Å; L7-F11 HydrophobicContact CD2-CD2 4.36Å; L7-F11 HydrophobicContact CD2-CE2 4.06Å; L7-F11 HydrophobicContact CG-CD2 4.5Å; L7-F11 WeakPolarHBondContact O-CD2 3.21Å; L7-F11 PolarHBondContact O-N 3.37Å
8	L	51.6	Low	44.9	Very low	123 Å²	123	121.7 Å²	121.7	64%	0.644	64%	0.638	S	S	*	*	H	α-helix	trans	-64.7	-36.7	176.1	-89.7	153.9	0	0	0	112.6	E4 F11 S12	E4-L8 PolarHBondContact O-N 3.28Å; E4-L8 VanDerWaalsContact O-N 3.09Å; L8-F11 PolarHBondContact O-N 3.16Å; L8-S12 WeakPolarHBondContact O-CB 3.39Å; L8-S12 PolarHBondContact O-N 3.03Å
9	L	46.3	Very low	44.1	Very low	100 Å²	100	122.4 Å²	122.4	52%	0.524	64%	0.643	S	S	.	*	H	α-helix	trans	-67.3	-42.6	174.9	-115.8	138.1	0	0	0	111.8	L5 Y6 L7 S12 L13	L5-L9 PolarHBondContact O-N 2.87Å; L5-L9 VanDerWaalsContact O-N 3.16Å; Y6-L9 PolarHBondContact O-N 3.41Å; L7-L9 VanDerWaalsContact C-N 3.35Å; L9-S12 PolarHBondContact O-N 2.96Å; L9-S12 PolarHBondContact O-OG 3.22Å; L9-L13 HydrophobicContact CD2-CD1 4.32Å; L9-L13 WeakPolarHBondContact O-CD1 3.39Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 2.96Å
10	L	42.9	Very low	43.5	Very low	91 Å²	91	122 Å²	122	48%	0.476	64%	0.64	S	S	.	*	H	α-helix	trans	-63.7	-42.2	173.3	-84.9	157.6	0	0	0	112.1	Y6 L7 S12 L13 V14	Y6-L10 HydrophobicContact CD1-CD1 4.07Å; Y6-L10 HydrophobicContact CE1-CD1 4.48Å; Y6-L10 PolarHBondContact O-N 3.12Å; Y6-L10 VanDerWaalsContact O-N 3.09Å; L7-L10 PolarHBondContact O-N 3.01Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.42Å; L10-L13 PolarHBondContact O-N 3.3Å; L10-V14 WeakPolarHBondContact O-CB 3.42Å; L10-V14 VanDerWaalsContact O-CG2 3.27Å; L10-V14 WeakPolarHBondContact O-CG2 3.47Å; L10-V14 PolarHBondContact O-N 3.03Å
11	F	40.6	Very low	42.8	Very low	129 Å²	129	121.9 Å²	121.9	57%	0.566	64%	0.639	S	S	*	*	H	α-helix	trans	-65.8	-33.5	174.5	-93.8	-79.4	0	0	0	112.6	L7 L8 L13 N15	L7-F11 HydrophobicContact CD2-CD2 4.36Å; L7-F11 HydrophobicContact CD2-CE2 4.06Å; L7-F11 HydrophobicContact CG-CD2 4.5Å; L7-F11 WeakPolarHBondContact O-CD2 3.21Å; L7-F11 PolarHBondContact O-N 3.37Å; L8-F11 PolarHBondContact O-N 3.16Å; F11-L13 VanDerWaalsContact C-N 3.32Å; F11-N15 WeakPolarHBondContact O-CB 3.49Å; F11-N15 PolarHBondContact O-N 3.43Å
12	S	42.2	Very low	42.1	Very low	79 Å²	79	119.6 Å²	119.6	55%	0.552	63%	0.63	S	S	*	*	H	α-helix	trans	-70.6	-27.5	174.6	74	0	0	0	0	113.5	L8 L9 L10	L8-S12 WeakPolarHBondContact O-CB 3.39Å; L8-S12 PolarHBondContact O-N 3.03Å; L9-S12 PolarHBondContact O-N 2.96Å; L9-S12 PolarHBondContact O-OG 3.22Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.42Å
13	L	36.3	Very low	40.9	Very low	121 Å²	121	118 Å²	118	63%	0.634	62%	0.622	S	S	*	*	H	α-helix	trans	-85.6	-31.2	178	-75.8	161.4	0	0	0	112.8	L9 L10 F11	L9-L13 HydrophobicContact CD2-CD1 4.32Å; L9-L13 WeakPolarHBondContact O-CD1 3.39Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 2.96Å; L10-L13 PolarHBondContact O-N 3.3Å; F11-L13 VanDerWaalsContact C-N 3.32Å
14	V	38.1	Very low	39.8	Very low	101 Å²	101	119.5 Å²	119.5	61%	0.612	62%	0.619	S	S	*	*	H	α-helix	trans	-86.3	-31	179.5	176.6	0	0	0	0	111.7	L10 S16	L10-V14 WeakPolarHBondContact O-CB 3.42Å; L10-V14 VanDerWaalsContact O-CG2 3.27Å; L10-V14 WeakPolarHBondContact O-CG2 3.47Å; L10-V14 PolarHBondContact O-N 3.03Å; V14-S16 VanDerWaalsContact C-N 3.33Å; V14-S16 PolarHBondContact O-N 2.87Å
15	N	31.2	Very low	38.4	Very low	119 Å²	119	120.4 Å²	120.4	64%	0.636	63%	0.628	S	S	*	*			trans	-93	15.7	-173.4	-140	8.7	0	0	0	114.1	F11 D17	F11-N15 WeakPolarHBondContact O-CB 3.49Å; F11-N15 PolarHBondContact O-N 3.43Å; N15-D17 PolarHBondContact O-N 3.47Å; N15-D17 VanDerWaalsContact O-N 3.16Å
16	S	35	Very low	37.7	Very low	83 Å²	83	117.7 Å²	117.7	58%	0.58	62%	0.617	S	S	*	*			trans	-82.3	53	156.5	62.7	0	0	0	0	110	V14 K18	V14-S16 VanDerWaalsContact C-N 3.33Å; V14-S16 PolarHBondContact O-N 2.87Å; S16-K18 PolarHBondContact O-N 2.97Å
17	D	33.1	Very low	37	Very low	127 Å²	127	114.5 Å²	114.5	68%	0.679	62%	0.619	S	S	*	*			trans	-66.9	64.3	152.7	-83.1	-25.6	0	0	0	107.6	N15 N19	N15-D17 PolarHBondContact O-N 3.47Å; N15-D17 VanDerWaalsContact O-N 3.16Å; D17-N19 PolarHBondContact O-N 3.19Å
18	K	31.3	Very low	36.8	Very low	171 Å²	171	113.9 Å²	113.9	74%	0.743	62%	0.616	S	S	*	*			trans	-68.5	91.2	147.8	-75.2	-174.8	-179.9	178.4	0	103.6	S16 I20	S16-K18 PolarHBondContact O-N 2.97Å; K18-I20 WeakPolarHBondContact O-CG1 3.44Å; K18-I20 PolarHBondContact O-N 3.16Å
19	N	29.6	Very low	37.8	Very low	136 Å²	136	111.9 Å²	111.9	73%	0.727	60%	0.603	S	S	*	*			trans	-38.8	106	136.5	-77.3	-44.3	0	0	0	104.8	D17 I21	D17-N19 PolarHBondContact O-N 3.19Å; N19-I21 PolarHBondContact O-N 3.1Å
20	I	32.5	Very low	39.6	Very low	113 Å²	113	108.1 Å²	108.1	58%	0.579	58%	0.582	S	S	*	*			trans	-70.4	78.2	177.1	-59.8	-179.4	0	0	0	104.5	K18 L22	K18-I20 WeakPolarHBondContact O-CG1 3.44Å; K18-I20 PolarHBondContact O-N 3.16Å; I20-L22 PolarHBondContact O-N 3.5Å
21	I	27.6	Very low	41.5	Very low	120 Å²	120	108.3 Å²	108.3	62%	0.615	58%	0.58	S	S	*	*			trans	-56.5	114.7	149.8	-58.8	173.1	0	0	0	102.4	N19 N23	N19-I21 PolarHBondContact O-N 3.1Å; I21-N23 WeakPolarHBondContact O-CB 3.47Å; I21-N23 VanDerWaalsContact O-CG 3.31Å; I21-N23 PolarHBondContact O-N 3.25Å
22	L	33.1	Very low	43.6	Very low	144 Å²	144	105.9 Å²	105.9	75%	0.754	57%	0.571	S	S	*	*			trans	-50.3	84.9	172.9	-70	160.6	0	0	0	108.5	I20 N24	I20-L22 PolarHBondContact O-N 3.5Å; L22-N24 PolarHBondContact O-N 2.97Å
23	N	26.5	Very low	45.5	Very low	125 Å²	125	103.5 Å²	103.5	67%	0.668	55%	0.551	S	S	*	*			trans	-89.2	87.8	-172.7	-86.2	-27.9	0	0	0	108.4	I21 N25	I21-N23 WeakPolarHBondContact O-CB 3.47Å; I21-N23 VanDerWaalsContact O-CG 3.31Å; I21-N23 PolarHBondContact O-N 3.25Å; N23-N25 PolarHBondContact O-N 3.45Å
24	N	32.1	Very low	48	Very low	109 Å²	109	100.1 Å²	100.1	58%	0.583	53%	0.534	S	S	*	.	S	Bend		39.5	48.9	129.8	-73.3	-29.4	0	0	0	120	L22	L22-N24 PolarHBondContact O-N 2.97Å
25	N	31.4	Very low	50.4	Low	148 Å²	148	96.9 Å²	96.9	79%	0.791	52%	0.518	S	S	*	.			trans	-130.3	84.6	144.4	-94.1	-15.6	0	0	0	109.1	N23	N23-N25 PolarHBondContact O-N 3.45Å
26	P	42.3	Very low	53.4	Low	60 Å²	60	91.9 Å²	91.9	39%	0.39	49%	0.49	S	S	.	.			trans	-92	13.5	-165.1	35.5	-34.8	0	0	0	115.7	D28 F29	P26-D28 PolarHBondContact O-N 3.24Å; P26-F29 HydrophobicContact CB-CE2 4.35Å
27	S	39.6	Very low	56.1	Low	99 Å²	99	92.4 Å²	92.4	69%	0.692	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	76.7	-172.7	59.5	0	0	0	0	112.5
28	D	49.1	Very low	59	Low	93 Å²	93	89.6 Å²	89.6	50%	0.497	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	110	61	163.9	-47.2	-25.5	0	0	0	115.3	P26 Y30 G442 T487	P26-D28 PolarHBondContact O-N 3.24Å; D28-Y30 PolarHBondContact O-N 2.84Å; D28-G442 WeakPolarHBondContact OD1-CA 3.47Å; D28-T487 PolarHBondContact O-OG1 2.9Å
29	F	72.3	Confident	62.1	Low	81 Å²	81	82.9 Å²	82.9	36%	0.355	45%	0.447	S	S	.	.	S	Bend	trans	-69.6	-19.9	164.8	-67	-79.6	0	0	0	113	P26 P441 S486 T487 V488	P26-F29 HydrophobicContact CB-CE2 4.35Å; F29-P441 HydrophobicContact CB-CG 3.86Å; F29-P441 HydrophobicContact CD2-CB 4.2Å; F29-P441 HydrophobicContact CD2-CG 3.4Å; F29-P441 VanDerWaalsContact CD2-CG 3.4Å; F29-P441 HydrophobicContact CE2-CG 4.38Å; F29-P441 HydrophobicContact CG-CG 4.06Å; F29-S486 CarbonylContact O-C 3.57Å; F29-S486 WeakPolarHBondContact O-CA 3.45Å; F29-T487 VanDerWaalsContact C-OG1 3.27Å; F29-T487 VanDerWaalsContact CA-OG1 3.28Å; F29-T487 WeakPolarHBondContact CA-OG1 3.41Å; F29-T487 PolarHBondContact O-N 3.12Å; F29-T487 PolarHBondContact O-OG1 3.17Å; F29-T487 VanDerWaalsContact O-OG1 3.09Å; F29-V488 HydrophobicContact CB-CG2 4.03Å; F29-V488 HydrophobicContact CD1-CG2 3.39Å; F29-V488 HydrophobicContact CE1-CG2 4.14Å; F29-V488 HydrophobicContact CG-CG2 4.13Å
30	Y	84.4	Confident	65.2	Low	22 Å²	22	76.4 Å²	76.4	9%	0.086	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.2	173.1	-71.4	-86.2	0	0	0	110.2	D28 V440 P441 G442 L466 F468 L485	D28-Y30 PolarHBondContact O-N 2.84Å; Y30-V440 HydrophobicContact CD2-CG1 3.39Å; Y30-V440 HydrophobicContact CE2-CG1 3.83Å; Y30-V440 HydrophobicContact CG-CG1 3.86Å; Y30-P441 WeakPolarHBondContact CB-O 3.3Å; Y30-P441 PolarHBondContact N-O 2.84Å; Y30-G442 CarbonylContact O-C 3.57Å; Y30-G442 WeakPolarHBondContact O-CA 3.31Å; Y30-L466 PolarHBondContact OH-O 3.47Å; Y30-F468 AromaticContact CD1-CD2 3.74Å; Y30-F468 HydrophobicContact CD1-CD2 3.74Å; Y30-F468 HydrophobicContact CD1-CE2 4.32Å; Y30-F468 AromaticContact CE1-CD2 3.35Å; Y30-F468 HydrophobicContact CE1-CD2 3.35Å; Y30-F468 AromaticContact CE1-CE2 3.63Å; Y30-F468 HydrophobicContact CE1-CE2 3.63Å; Y30-F468 HydrophobicContact CE2-CD2 4.21Å; Y30-F468 AromaticContact CE2-CE2 3.84Å; Y30-F468 HydrophobicContact CE2-CE2 3.84Å; Y30-F468 HydrophobicContact CG-CD2 4.34Å; Y30-F468 AromaticContact CZ-CD2 3.62Å; Y30-F468 AromaticContact CZ-CE2 3.35Å; Y30-F468 WeakPolarHBondContact OH-CE2 3.34Å; Y30-L485 CarbonylContact C-O 3.54Å; Y30-L485 VanDerWaalsContact CA-O 3.22Å; Y30-L485 WeakPolarHBondContact CA-O 3.33Å
31	Q	83.9	Confident	68.2	Low	95 Å²	95	71 Å²	71	44%	0.444	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.2	175.4	-174.4	176.9	-6	0	0	110.2	L33 L83 F484 L485 T487	Q31-L33 PolarHBondContact O-N 2.93Å; Q31-L83 HydrophobicContact CB-CD1 4.34Å; Q31-L83 HydrophobicContact CB-CD2 3.79Å; Q31-L83 HydrophobicContact CG-CD2 3.78Å; Q31-F484 CarbonylContact O-C 3.48Å; Q31-F484 VanDerWaalsContact O-CA 3.32Å; Q31-F484 WeakPolarHBondContact O-CA 3.12Å; Q31-L485 PolarHBondContact N-O 3.41Å; Q31-L485 PolarHBondContact O-N 3.05Å; Q31-T487 HydrophobicContact CB-CG2 4.05Å
32	Q	83.9	Confident	71.5	Confident	77 Å²	77	65.6 Å²	65.6	36%	0.36	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	119.9	173	-165.7	-175.8	-29.9	0	0	109.8	F484	Q32-F484 HydrophobicContact CB-CD1 3.73Å; Q32-F484 HydrophobicContact CB-CE1 3.5Å; Q32-F484 HydrophobicContact CB-CZ 4.18Å; Q32-F484 HydrophobicContact CG-CD1 4.24Å; Q32-F484 HydrophobicContact CG-CE1 3.85Å; Q32-F484 HydrophobicContact CG-CZ 4.01Å
33	L	83.2	Confident	74.5	Confident	29 Å²	29	59 Å²	59	15%	0.152	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-44.1	177.8	-177.2	70.7	0	0	0	111.6	Q31 L83 V86 F88 Q460 L483 L485	Q31-L33 PolarHBondContact O-N 2.93Å; L33-L83 HydrophobicContact CB-CD2 4.4Å; L33-L83 HydrophobicContact CD1-CD2 3.81Å; L33-L83 HydrophobicContact CD1-CG 4.37Å; L33-V86 HydrophobicContact CD1-CB 4.07Å; L33-V86 HydrophobicContact CD1-CG2 4.21Å; L33-V86 HydrophobicContact CD2-CB 4.21Å; L33-V86 HydrophobicContact CD2-CG1 4.13Å; L33-V86 HydrophobicContact CD2-CG2 4.48Å; L33-F88 HydrophobicContact CD2-CE2 3.41Å; L33-F88 VanDerWaalsContact CD2-CE2 3.41Å; L33-F88 HydrophobicContact CD2-CZ 3.6Å; L33-F88 HydrophobicContact CG-CE2 3.9Å; L33-Q460 HydrophobicContact CD2-CG 4.5Å; L33-L483 HydrophobicContact CD2-CD2 4.04Å; L33-L483 PolarHBondContact N-O 2.79Å; L33-L485 HydrophobicContact CB-CD1 4.46Å; L33-L485 HydrophobicContact CB-CG 4.04Å; L33-L485 HydrophobicContact CD1-CD1 4.25Å; L33-L485 HydrophobicContact CD2-CD1 3.7Å; L33-L485 HydrophobicContact CD2-CD2 4.22Å; L33-L485 HydrophobicContact CD2-CG 3.89Å; L33-L485 HydrophobicContact CG-CD1 4.36Å; L33-L485 HydrophobicContact CG-CG 4.44Å
34	N	87	Confident	77.7	Confident	51 Å²	51	53.3 Å²	53.3	27%	0.273	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	162.9	-177.9	-157.3	10.2	0	0	0	112.4	W36 F88 Q482 L483	N34-W36 HydrophobicContact CB-CH2 3.85Å; N34-W36 HydrophobicContact CB-CZ2 4.12Å; N34-W36 HydrophobicContact CB-CZ3 4.13Å; N34-W36 VanDerWaalsContact ND2-CE2 3.32Å; N34-W36 WeakPolarHBondContact ND2-CZ2 3.35Å; N34-F88 HydrophobicContact CB-CD2 3.89Å; N34-F88 HydrophobicContact CB-CE2 3.83Å; N34-F88 VanDerWaalsContact ND2-CD2 3.28Å; N34-F88 WeakPolarHBondContact ND2-CD2 3.41Å; N34-Q482 WeakPolarHBondContact O-CA 3.42Å; N34-L483 PolarHBondContact O-N 3.47Å
35	A	89.6	Confident	80.7	Confident	32 Å²	32	48.1 Å²	48.1	26%	0.264	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.3	171.4	0	0	0	0	0	111.5	A481 Q482	A35-A481 CarbonylContact C-O 3.59Å; A35-A481 VanDerWaalsContact CA-O 3.27Å; A35-A481 WeakPolarHBondContact CA-O 3.06Å; A35-Q482 HydrophobicContact CB-CG 4Å
36	W	93.2	Very high	83.6	Confident	14 Å²	14	41 Å²	41	5%	0.053	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	95.3	177.1	-61	-89	0	0	0	108.6	N34 F39 F57 V68 F88 F469 S480 A481 L483	N34-W36 HydrophobicContact CB-CH2 3.85Å; N34-W36 HydrophobicContact CB-CZ2 4.12Å; N34-W36 HydrophobicContact CB-CZ3 4.13Å; N34-W36 VanDerWaalsContact ND2-CE2 3.32Å; N34-W36 WeakPolarHBondContact ND2-CZ2 3.35Å; W36-F39 HydrophobicContact CB-CB 3.99Å; W36-F39 HydrophobicContact CB-CD2 3.64Å; W36-F39 HydrophobicContact CB-CE2 4.46Å; W36-F39 HydrophobicContact CB-CG 4.09Å; W36-F57 HydrophobicContact CD2-CE2 4.15Å; W36-F57 AromaticContact CD2-CZ 3.89Å; W36-F57 HydrophobicContact CD2-CZ 3.89Å; W36-F57 HydrophobicContact CE3-CE2 4.49Å; W36-F57 AromaticContact CE3-CZ 3.79Å; W36-F57 HydrophobicContact CE3-CZ 3.79Å; W36-F57 HydrophobicContact CG-CE2 4.38Å; W36-F57 HydrophobicContact CG-CZ 4.35Å; W36-F57 HydrophobicContact CZ3-CZ 4.15Å; W36-V68 HydrophobicContact CZ2-CG1 4.49Å; W36-F88 HydrophobicContact CH2-CD1 4.29Å; W36-F88 HydrophobicContact CH2-CD2 4.43Å; W36-F88 HydrophobicContact CH2-CE1 4.19Å; W36-F88 HydrophobicContact CH2-CE2 4.34Å; W36-F88 HydrophobicContact CH2-CG 4.42Å; W36-F88 HydrophobicContact CH2-CZ 4.24Å; W36-F88 HydrophobicContact CZ2-CB 4.35Å; W36-F88 AromaticContact CZ2-CD1 3.91Å; W36-F88 HydrophobicContact CZ2-CD1 3.91Å; W36-F88 HydrophobicContact CZ2-CD2 4.15Å; W36-F88 HydrophobicContact CZ2-CE1 4.28Å; W36-F88 HydrophobicContact CZ2-CE2 4.49Å; W36-F88 AromaticContact CZ2-CG 3.85Å; W36-F88 HydrophobicContact CZ2-CG 3.85Å; W36-F469 HydrophobicContact CE3-CE1 4.28Å; W36-F469 HydrophobicContact CH2-CE1 4.3Å; W36-F469 HydrophobicContact CH2-CZ 4.08Å; W36-F469 AromaticContact CZ3-CE1 3.58Å; W36-F469 HydrophobicContact CZ3-CE1 3.58Å; W36-F469 AromaticContact CZ3-CZ 3.83Å; W36-F469 HydrophobicContact CZ3-CZ 3.83Å; W36-S480 WeakPolarHBondContact O-CA 3.39Å; W36-A481 HydrophobicContact CE3-CB 4.44Å; W36-A481 PolarHBondContact N-O 2.9Å; W36-A481 PolarHBondContact O-N 2.94Å; W36-L483 HydrophobicContact CH2-CB 4.28Å; W36-L483 HydrophobicContact CZ3-CB 3.95Å
37	P	92.7	Very high	86.1	Confident	95 Å²	95	38.3 Å²	38.3	62%	0.617	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	144.2	173.4	-20.4	33	0	0	0	111.5	F39	P37-F39 VanDerWaalsContact C-N 3.3Å; P37-F39 WeakPolarHBondContact O-CD2 3.27Å
38	D	93.8	Very high	88.6	Confident	67 Å²	67	35 Å²	35	36%	0.358	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	22.6	-175.5	-161.3	48.3	0	0	0	115.1	N59 G60 P479	D38-N59 CarbonylContact O-C 3.53Å; D38-N59 VanDerWaalsContact O-CA 3.23Å; D38-N59 WeakPolarHBondContact O-CA 3.42Å; D38-G60 PolarHBondContact O-N 3.25Å; D38-G60 WeakPolarHBondContact OD1-CA 3.35Å; D38-G60 PolarHBondContact OD1-N 3.44Å; D38-P479 WeakPolarHBondContact CA-O 3.41Å; D38-P479 PolarHBondContact N-O 3.27Å
39	F	95.6	Very high	90.7	Very high	31 Å²	31	30.9 Å²	30.9	14%	0.136	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.6	178	-72.3	-81.5	0	0	0	113.2	W36 P37 F57 A58 F66 P91 P479 A481	W36-F39 HydrophobicContact CB-CB 3.99Å; W36-F39 HydrophobicContact CB-CD2 3.64Å; W36-F39 HydrophobicContact CB-CE2 4.46Å; W36-F39 HydrophobicContact CB-CG 4.09Å; P37-F39 VanDerWaalsContact C-N 3.3Å; P37-F39 WeakPolarHBondContact O-CD2 3.27Å; F39-F57 HydrophobicContact CB-CB 4.2Å; F39-F57 HydrophobicContact CB-CD1 4.01Å; F39-F57 HydrophobicContact CB-CG 4.14Å; F39-F57 HydrophobicContact CD1-CB 3.45Å; F39-F57 VanDerWaalsContact CD1-CB 3.45Å; F39-F57 HydrophobicContact CD1-CD2 4.45Å; F39-F57 HydrophobicContact CD1-CG 4.01Å; F39-F57 HydrophobicContact CE1-CB 4.18Å; F39-F57 HydrophobicContact CG-CB 4.19Å; F39-F57 HydrophobicContact CG-CG 4.34Å; F39-A58 WeakPolarHBondContact CA-O 3.49Å; F39-F66 HydrophobicContact CD1-CD2 4.41Å; F39-F66 HydrophobicContact CE1-CB 3.87Å; F39-F66 HydrophobicContact CE1-CD1 4.3Å; F39-F66 AromaticContact CE1-CD2 3.49Å; F39-F66 HydrophobicContact CE1-CD2 3.49Å; F39-F66 VanDerWaalsContact CE1-CD2 3.49Å; F39-F66 HydrophobicContact CE1-CE2 4.03Å; F39-F66 AromaticContact CE1-CG 3.63Å; F39-F66 HydrophobicContact CE1-CG 3.63Å; F39-F66 HydrophobicContact CZ-CD1 4.42Å; F39-F66 HydrophobicContact CZ-CD2 4.26Å; F39-F66 HydrophobicContact CZ-CG 4.2Å; F39-P91 HydrophobicContact CE1-CB 4.34Å; F39-P91 HydrophobicContact CE2-CG 4.32Å; F39-P91 HydrophobicContact CZ-CB 3.96Å; F39-P91 HydrophobicContact CZ-CG 4.1Å; F39-P479 PolarHBondContact N-O 3.38Å; F39-A481 HydrophobicContact CB-CB 4.4Å; F39-A481 PolarHBondContact O-N 3.47Å
40	Q	95.7	Very high	91.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.2	174.7	-60.9	176.4	82.8	0	0	109.8	A42 F57 A58 N59 G60 L380 V471 P479	Q40-A42 PolarHBondContact O-N 3.1Å; Q40-F57 CarbonylContact O-C 3.58Å; Q40-F57 VanDerWaalsContact O-CA 3.23Å; Q40-F57 WeakPolarHBondContact O-CA 3.47Å; Q40-F57 WeakPolarHBondContact O-CD1 3.17Å; Q40-A58 PolarHBondContact N-O 3.09Å; Q40-A58 PolarHBondContact O-N 3.35Å; Q40-N59 PolarHBondContact NE2-O 3.45Å; Q40-G60 PolarHBondContact NE2-O 3.15Å; Q40-L380 HydrophobicContact CB-CD1 3.85Å; Q40-L380 HydrophobicContact CB-CG 4.34Å; Q40-V471 HydrophobicContact CG-CG1 4.47Å; Q40-P479 HydrophobicContact CG-CB 3.49Å; Q40-P479 VanDerWaalsContact CG-CB 3.49Å; Q40-P479 HydrophobicContact CG-CG 3.4Å; Q40-P479 VanDerWaalsContact CG-CG 3.4Å
41	L	96.2	Very high	91.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.6	-179.8	-71.5	163.7	0	0	0	110.4	F44 I55 F57 L380 Q454 F469 V471 L553	L41-F44 HydrophobicContact CD2-CE1 4.05Å; L41-F44 HydrophobicContact CD2-CZ 4.35Å; L41-I55 HydrophobicContact CD2-CG2 3.83Å; L41-F57 HydrophobicContact CD2-CD1 3.99Å; L41-F57 HydrophobicContact CD2-CE1 3.43Å; L41-F57 VanDerWaalsContact CD2-CE1 3.43Å; L41-F57 HydrophobicContact CD2-CZ 4.26Å; L41-F57 HydrophobicContact CG-CD1 4.5Å; L41-F57 HydrophobicContact CG-CE1 4.14Å; L41-L380 WeakPolarHBondContact O-CD1 3.45Å; L41-Q454 VanDerWaalsContact N-OE1 3.12Å; L41-Q454 PolarHBondContact O-NE2 2.78Å; L41-F469 HydrophobicContact CD1-CB 3.55Å; L41-F469 HydrophobicContact CD1-CD1 3.73Å; L41-F469 HydrophobicContact CD1-CG 3.82Å; L41-F469 HydrophobicContact CD2-CD1 3.68Å; L41-F469 HydrophobicContact CD2-CD2 4.47Å; L41-F469 HydrophobicContact CD2-CE1 3.92Å; L41-F469 HydrophobicContact CD2-CG 3.98Å; L41-F469 HydrophobicContact CD2-CZ 4.45Å; L41-F469 HydrophobicContact CG-CD1 4.2Å; L41-V471 HydrophobicContact CB-CG2 4.25Å; L41-V471 HydrophobicContact CD1-CG2 3.68Å; L41-V471 HydrophobicContact CG-CG2 3.76Å; L41-L553 HydrophobicContact CB-CD1 3.77Å; L41-L553 HydrophobicContact CB-CD2 3.94Å; L41-L553 HydrophobicContact CD1-CD1 4.23Å
42	A	96.6	Very high	91.6	Very high	5 Å²	5	30.9 Å²	30.9	4%	0.041	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-50	-178.8	0	0	0	0	0	112.3	Q40 I56 V106 L380	Q40-A42 PolarHBondContact O-N 3.1Å; A42-I56 WeakPolarHBondContact CA-O 3.32Å; A42-I56 HydrophobicContact CB-CB 4.48Å; A42-I56 HydrophobicContact CB-CG2 4.07Å; A42-I56 WeakPolarHBondContact CB-O 3.48Å; A42-I56 PolarHBondContact N-O 2.87Å; A42-V106 HydrophobicContact CB-CB 4.03Å; A42-V106 HydrophobicContact CB-CG2 3.89Å; A42-L380 HydrophobicContact CB-CD1 3.83Å
43	A	95.6	Very high	91.8	Very high	7 Å²	7	28 Å²	28	6%	0.058	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	162.4	-179.5	0	0	0	0	0	112.1	I56 V106 T108	A43-I56 HydrophobicContact CB-CB 4.38Å; A43-I56 HydrophobicContact CB-CD1 4.47Å; A43-I56 PolarHBondContact N-O 2.95Å; A43-I56 PolarHBondContact O-N 2.99Å; A43-V106 HydrophobicContact CB-CG1 4.36Å; A43-T108 HydrophobicContact CB-CG2 3.83Å
44	F	94.1	Very high	92.3	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.018	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.3	167.4	-57.1	-53.4	0	0	0	109.4	L41 M53 I55 A456 F458 F469 L553 V555	L41-F44 HydrophobicContact CD2-CE1 4.05Å; L41-F44 HydrophobicContact CD2-CZ 4.35Å; F44-M53 VanDerWaalsContact C-CE 3.48Å; F44-M53 HydrophobicContact CB-CE 3.72Å; F44-I55 HydrophobicContact CD1-CG1 4.24Å; F44-I55 HydrophobicContact CD1-CG2 4.48Å; F44-I55 HydrophobicContact CE1-CG1 4.29Å; F44-I55 HydrophobicContact CE1-CG2 4.32Å; F44-A456 HydrophobicContact CE2-CB 3.93Å; F44-A456 HydrophobicContact CZ-CB 4.11Å; F44-F458 HydrophobicContact CB-CE2 4.24Å; F44-F458 AromaticContact CD1-CD2 3.7Å; F44-F458 HydrophobicContact CD1-CD2 3.7Å; F44-F458 AromaticContact CD1-CE2 3.48Å; F44-F458 HydrophobicContact CD1-CE2 3.48Å; F44-F458 VanDerWaalsContact CD1-CE2 3.48Å; F44-F458 HydrophobicContact CD1-CZ 4.41Å; F44-F458 HydrophobicContact CD2-CD2 4.09Å; F44-F458 HydrophobicContact CD2-CE2 4.44Å; F44-F458 AromaticContact CE1-CD2 3.67Å; F44-F458 HydrophobicContact CE1-CD2 3.67Å; F44-F458 AromaticContact CE1-CE2 3.84Å; F44-F458 HydrophobicContact CE1-CE2 3.84Å; F44-F458 HydrophobicContact CE1-CG 4.4Å; F44-F458 HydrophobicContact CE2-CD2 4.05Å; F44-F458 AromaticContact CG-CD2 3.92Å; F44-F458 HydrophobicContact CG-CD2 3.92Å; F44-F458 AromaticContact CG-CE2 3.82Å; F44-F458 HydrophobicContact CG-CE2 3.82Å; F44-F458 AromaticContact CZ-CD2 3.85Å; F44-F458 HydrophobicContact CZ-CD2 3.85Å; F44-F458 HydrophobicContact CZ-CE2 4.46Å; F44-F458 HydrophobicContact CZ-CG 4.45Å; F44-F469 AromaticContact CE1-CD2 3.85Å; F44-F469 HydrophobicContact CE1-CD2 3.85Å; F44-F469 HydrophobicContact CE1-CE2 4.19Å; F44-F469 HydrophobicContact CE1-CG 4.49Å; F44-F469 HydrophobicContact CZ-CB 4.3Å; F44-F469 AromaticContact CZ-CD2 3.91Å; F44-F469 HydrophobicContact CZ-CD2 3.91Å; F44-F469 HydrophobicContact CZ-CG 4.31Å; F44-L553 HydrophobicContact CD2-CB 4.34Å; F44-L553 WeakPolarHBondContact CD2-O 3.47Å; F44-L553 HydrophobicContact CE2-CB 3.87Å; F44-L553 HydrophobicContact CE2-CD2 4.37Å; F44-L553 WeakPolarHBondContact CE2-O 3.3Å; F44-V555 HydrophobicContact CD2-CG1 4.32Å
45	T	94.1	Very high	92.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	156.8	177.8	-165.2	0	0	0	0	109.6	L47 M53 D54 I56 T108 I117 G518	T45-L47 HydrophobicContact CG2-CD2 3.55Å; T45-L47 HydrophobicContact CG2-CG 3.69Å; T45-M53 VanDerWaalsContact CA-CE 3.4Å; T45-D54 PolarHBondContact N-O 3.45Å; T45-D54 VanDerWaalsContact N-O 3.14Å; T45-D54 CarbonylContact O-C 3.56Å; T45-D54 VanDerWaalsContact O-CA 3.23Å; T45-D54 WeakPolarHBondContact O-CA 3.47Å; T45-D54 WeakPolarHBondContact O-CB 3.46Å; T45-D54 PolarHBondContact O-N 2.89Å; T45-D54 VanDerWaalsContact O-O 3.07Å; T45-I56 HydrophobicContact CG2-CD1 3.95Å; T45-I56 HydrophobicContact CG2-CG1 4.39Å; T45-T108 HydrophobicContact CG2-CG2 3.91Å; T45-I117 HydrophobicContact CG2-CG1 4.42Å; T45-I117 HydrophobicContact CG2-CG2 4.06Å; T45-I117 WeakPolarHBondContact OG1-CD1 3.29Å; T45-I117 WeakPolarHBondContact OG1-CG1 3.35Å; T45-G518 PolarHBondContact OG1-O 3.26Å
46	D	93.4	Very high	93	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.			trans	-91.6	100.7	168.4	175.6	-2.4	0	0	0	109.1	N48 A49 D50 R51 R52 I117 Y517 G518	D46-N48 PolarHBondContact OD1-N 3.21Å; D46-N48 PolarHBondContact OD1-OD1 3.45Å; D46-N48 VanDerWaalsContact OD1-OD1 3.07Å; D46-A49 WeakPolarHBondContact OD1-CA 3.38Å; D46-A49 PolarHBondContact OD1-N 2.84Å; D46-A49 WeakPolarHBondContact OD2-CA 3.19Å; D46-D50 PolarHBondContact OD1-N 3.3Å; D46-D50 VanDerWaalsContact OD1-N 3.12Å; D46-D50 PolarHBondContact OD2-N 3.26Å; D46-D50 VanDerWaalsContact OD2-N 3.07Å; D46-R51 WeakPolarHBondContact OD2-CA 3.3Å; D46-R51 PolarHBondContact OD2-N 2.81Å; D46-R52 WeakPolarHBondContact CB-O 3.33Å; D46-I117 WeakPolarHBondContact O-CG1 3.45Å; D46-Y517 WeakPolarHBondContact CB-O 3.34Å; D46-G518 PolarHBondContact N-O 3.14Å
47	L	94.5	Very high	93.2	Very high	2 Å²	2	22 Å²	22	1%	0.01	11%	0.111	C	C	.	.	S	Bend	trans	-74	-31.8	-173	-73.3	173	0	0	0	112	T45 D54 I56 A67 L69 I117 F147	T45-L47 HydrophobicContact CG2-CD2 3.55Å; T45-L47 HydrophobicContact CG2-CG 3.69Å; L47-D54 WeakPolarHBondContact CB-OD2 3.44Å; L47-D54 HydrophobicContact CD1-CB 4.36Å; L47-D54 HydrophobicContact CG-CB 4.36Å; L47-D54 PolarHBondContact N-OD2 3.43Å; L47-I56 HydrophobicContact CD1-CG1 4.36Å; L47-I56 HydrophobicContact CD2-CD1 4.29Å; L47-A67 HydrophobicContact CD1-CB 3.46Å; L47-A67 VanDerWaalsContact CD1-CB 3.46Å; L47-L69 HydrophobicContact CB-CD2 3.94Å; L47-L69 HydrophobicContact CD1-CD2 3.96Å; L47-I117 HydrophobicContact CD2-CB 4.22Å; L47-I117 HydrophobicContact CD2-CG1 4.46Å; L47-I117 HydrophobicContact CD2-CG2 4.11Å; L47-F147 HydrophobicContact CD2-CE2 4.26Å; L47-F147 HydrophobicContact CD2-CZ 3.66Å
48	N	92.1	Very high	93.4	Very high	29 Å²	29	17.4 Å²	17.4	16%	0.155	8%	0.082	C	C	.	.	S	Bend	trans	-104	-0.4	-171.8	74.6	13.9	0	0	0	113.2	D46 D50 K514	D46-N48 PolarHBondContact OD1-N 3.21Å; D46-N48 PolarHBondContact OD1-OD1 3.45Å; D46-N48 VanDerWaalsContact OD1-OD1 3.07Å; N48-D50 PolarHBondContact ND2-OD2 3.44Å; N48-D50 WeakPolarHBondContact OD1-CB 3.38Å; N48-D50 PolarHBondContact OD1-N 3.46Å; N48-D50 PolarHBondContact OD1-OD1 3.44Å; N48-D50 PolarHBondContact OD1-OD2 3.43Å; N48-D50 VanDerWaalsContact OD1-OD2 3.12Å; N48-K514 WeakPolarHBondContact O-CD 3.23Å; N48-K514 PolarHBondContact O-NZ 3.44Å
49	A	92	Very high	93.5	Very high	7 Å²	7	15 Å²	15	6%	0.058	7%	0.069	C	C	.	.	S	Bend	trans	57.2	43.2	-177.6	0	0	0	0	0	113.7	D46 K514 L515	D46-A49 WeakPolarHBondContact OD1-CA 3.38Å; D46-A49 PolarHBondContact OD1-N 2.84Å; D46-A49 WeakPolarHBondContact OD2-CA 3.19Å; A49-K514 HydrophobicContact CB-CB 4.1Å; A49-K514 HydrophobicContact CB-CD 3.98Å; A49-L515 WeakPolarHBondContact CB-O 3.41Å
50	D	88.7	Confident	93.4	Very high	35 Å²	35	13.9 Å²	13.9	19%	0.187	7%	0.066	C	C	.	.	S	Bend	trans	-98.2	2	178.2	75.6	17.4	0	0	0	114.8	D46 N48 R52	D46-D50 PolarHBondContact OD1-N 3.3Å; D46-D50 VanDerWaalsContact OD1-N 3.12Å; D46-D50 PolarHBondContact OD2-N 3.26Å; D46-D50 VanDerWaalsContact OD2-N 3.07Å; N48-D50 PolarHBondContact ND2-OD2 3.44Å; N48-D50 WeakPolarHBondContact OD1-CB 3.38Å; N48-D50 PolarHBondContact OD1-N 3.46Å; N48-D50 PolarHBondContact OD1-OD1 3.44Å; N48-D50 PolarHBondContact OD1-OD2 3.43Å; N48-D50 VanDerWaalsContact OD1-OD2 3.12Å; D50-R52 VanDerWaalsContact OD1-CB 3.24Å; D50-R52 WeakPolarHBondContact OD1-CB 3.3Å; D50-R52 IonicContact OD1-CZ 2.63Å; D50-R52 PolarHBondContact OD1-N 2.96Å; D50-R52 IonicContact OD1-NE 3.97Å; D50-R52 PolarHBondContact OD1-NE 3.22Å; D50-R52 IonicContact OD1-NH2 3.12Å; D50-R52 IonicContact OD2-CZ 3.99Å; D50-R52 IonicContact OD2-NE 3.92Å; D50-R52 PolarHBondContact OD2-NE 2.97Å; D50-R52 IonicContact OD2-NH2 3.01Å; D50-R52 PolarHBondContact OD2-NH2 3.27Å
51	R	86.2	Confident	93.3	Very high	108 Å²	108	17.6 Å²	17.6	41%	0.408	9%	0.086	S	C	.	.	S	Bend	trans	80.5	1.1	-174.8	-59.2	173.1	-66	162.4	4.6	115.3	D46 Y517	D46-R51 WeakPolarHBondContact OD2-CA 3.3Å; D46-R51 PolarHBondContact OD2-N 2.81Å; R51-Y517 HydrophobicContact CB-CG 4.41Å; R51-Y517 HydrophobicContact CG-CD1 3.65Å; R51-Y517 HydrophobicContact CG-CD2 3.38Å; R51-Y517 HydrophobicContact CG-CE1 4.03Å; R51-Y517 HydrophobicContact CG-CE2 3.77Å; R51-Y517 HydrophobicContact CG-CG 3.31Å
52	R	85.5	Confident	93.2	Very high	55 Å²	55	17.6 Å²	17.6	21%	0.208	9%	0.086	C	C	.	.	S	Bend	trans	-101.2	144	175.5	-62.6	174.2	-74.6	-122	4.8	110.4	D46 D50 D54 Q70 D72	D46-R52 WeakPolarHBondContact CB-O 3.33Å; D50-R52 VanDerWaalsContact OD1-CB 3.24Å; D50-R52 WeakPolarHBondContact OD1-CB 3.3Å; D50-R52 IonicContact OD1-CZ 2.63Å; D50-R52 PolarHBondContact OD1-N 2.96Å; D50-R52 IonicContact OD1-NE 3.97Å; D50-R52 PolarHBondContact OD1-NE 3.22Å; D50-R52 IonicContact OD1-NH2 3.12Å; D50-R52 IonicContact OD2-CZ 3.99Å; D50-R52 IonicContact OD2-NE 3.92Å; D50-R52 PolarHBondContact OD2-NE 2.97Å; D50-R52 IonicContact OD2-NH2 3.01Å; D50-R52 PolarHBondContact OD2-NH2 3.27Å; R52-D54 PolarHBondContact O-N 3.09Å; R52-Q70 HydrophobicContact CB-CB 3.84Å; R52-Q70 HydrophobicContact CB-CG 4.23Å; R52-D72 IonicContact CZ-OD1 3.6Å; R52-D72 IonicContact NH1-OD1 3.66Å; R52-D72 PolarHBondContact NH1-OD1 3.45Å; R52-D72 IonicContact NH2-OD1 2.57Å; R52-D72 PolarHBondContact NH2-OD1 3.36Å
53	M	88.9	Confident	93.2	Very high	16 Å²	16	18.8 Å²	18.8	8%	0.079	9%	0.094	C	C	.	.			trans	-79.3	114.1	180	-69.6	-56.9	-55.1	0	0	110.6	F44 T45 Q70 F458 P556 F557	F44-M53 VanDerWaalsContact C-CE 3.48Å; F44-M53 HydrophobicContact CB-CE 3.72Å; T45-M53 VanDerWaalsContact CA-CE 3.4Å; M53-Q70 WeakPolarHBondContact O-CG 3.48Å; M53-Q70 PolarHBondContact O-NE2 3.45Å; M53-F458 HydrophobicContact CB-CE2 3.7Å; M53-F458 HydrophobicContact CB-CZ 3.67Å; M53-F458 WeakPolarHBondContact O-CZ 3.32Å; M53-P556 HydrophobicContact CE-CG 3.53Å; M53-P556 HydrophobicContact SD-CG 3.5Å; M53-P556 WeakPolarHBondContact SD-CG 3.27Å; M53-F557 HydrophobicContact CG-CE1 3.91Å; M53-F557 HydrophobicContact SD-CE1 4.44Å
54	D	92.8	Very high	93.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	164.3	171	-53.1	-48	0	0	0	111	T45 L47 R52 L69 Q70	T45-D54 PolarHBondContact N-O 3.45Å; T45-D54 VanDerWaalsContact N-O 3.14Å; T45-D54 CarbonylContact O-C 3.56Å; T45-D54 VanDerWaalsContact O-CA 3.23Å; T45-D54 WeakPolarHBondContact O-CA 3.47Å; T45-D54 WeakPolarHBondContact O-CB 3.46Å; T45-D54 PolarHBondContact O-N 2.89Å; T45-D54 VanDerWaalsContact O-O 3.07Å; L47-D54 WeakPolarHBondContact CB-OD2 3.44Å; L47-D54 HydrophobicContact CD1-CB 4.36Å; L47-D54 HydrophobicContact CG-CB 4.36Å; L47-D54 PolarHBondContact N-OD2 3.43Å; R52-D54 PolarHBondContact O-N 3.09Å; D54-L69 HydrophobicContact CB-CD2 4.06Å; D54-L69 VanDerWaalsContact OD1-CA 3.23Å; D54-L69 WeakPolarHBondContact OD1-CA 3.09Å; D54-L69 VanDerWaalsContact OD2-CD2 3.27Å; D54-L69 WeakPolarHBondContact OD2-CD2 3.27Å; D54-Q70 PolarHBondContact OD1-N 2.88Å
55	I	94.6	Very high	93.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.6	-176.5	-56	145	0	0	0	109.1	L41 F44 F57 A67 V68 F458 F469	L41-I55 HydrophobicContact CD2-CG2 3.83Å; F44-I55 HydrophobicContact CD1-CG1 4.24Å; F44-I55 HydrophobicContact CD1-CG2 4.48Å; F44-I55 HydrophobicContact CE1-CG1 4.29Å; F44-I55 HydrophobicContact CE1-CG2 4.32Å; I55-F57 HydrophobicContact CB-CE2 4.21Å; I55-F57 HydrophobicContact CB-CZ 4.37Å; I55-F57 HydrophobicContact CG2-CD1 4.15Å; I55-F57 HydrophobicContact CG2-CD2 4.04Å; I55-F57 HydrophobicContact CG2-CE1 3.75Å; I55-F57 HydrophobicContact CG2-CE2 3.61Å; I55-F57 HydrophobicContact CG2-CG 4.29Å; I55-F57 HydrophobicContact CG2-CZ 3.46Å; I55-F57 VanDerWaalsContact CG2-CZ 3.46Å; I55-A67 CarbonylContact O-C 3.54Å; I55-A67 WeakPolarHBondContact O-CA 3.44Å; I55-V68 PolarHBondContact N-O 3.28Å; I55-V68 VanDerWaalsContact N-O 3.14Å; I55-V68 PolarHBondContact O-N 3.47Å; I55-F458 HydrophobicContact CG1-CZ 4.07Å; I55-F469 HydrophobicContact CD1-CE2 3.64Å; I55-F469 HydrophobicContact CD1-CZ 3.45Å; I55-F469 VanDerWaalsContact CD1-CZ 3.45Å; I55-F469 HydrophobicContact CG1-CE2 4Å; I55-F469 HydrophobicContact CG1-CZ 4.13Å
56	I	96.4	Very high	93.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.6	168.1	-57.3	179.3	0	0	0	108.6	A42 A43 T45 L47 F66 I94 T108 L119	A42-I56 WeakPolarHBondContact CA-O 3.32Å; A42-I56 HydrophobicContact CB-CB 4.48Å; A42-I56 HydrophobicContact CB-CG2 4.07Å; A42-I56 WeakPolarHBondContact CB-O 3.48Å; A42-I56 PolarHBondContact N-O 2.87Å; A43-I56 HydrophobicContact CB-CB 4.38Å; A43-I56 HydrophobicContact CB-CD1 4.47Å; A43-I56 PolarHBondContact N-O 2.95Å; A43-I56 PolarHBondContact O-N 2.99Å; T45-I56 HydrophobicContact CG2-CD1 3.95Å; T45-I56 HydrophobicContact CG2-CG1 4.39Å; L47-I56 HydrophobicContact CD1-CG1 4.36Å; L47-I56 HydrophobicContact CD2-CD1 4.29Å; I56-F66 CarbonylContact C-O 3.57Å; I56-F66 WeakPolarHBondContact CA-O 3.28Å; I56-I94 HydrophobicContact CD1-CD1 4.4Å; I56-I94 HydrophobicContact CG1-CD1 4.41Å; I56-I94 HydrophobicContact CG2-CD1 3.97Å; I56-T108 HydrophobicContact CD1-CG2 3.83Å; I56-L119 HydrophobicContact CD1-CD2 3.69Å
57	F	97.2	Very high	93.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	149.3	172	-62.6	-73.2	0	0	0	111.6	W36 F39 Q40 L41 I55 L65 F66 V68 F469 A481	W36-F57 HydrophobicContact CD2-CE2 4.15Å; W36-F57 AromaticContact CD2-CZ 3.89Å; W36-F57 HydrophobicContact CD2-CZ 3.89Å; W36-F57 HydrophobicContact CE3-CE2 4.49Å; W36-F57 AromaticContact CE3-CZ 3.79Å; W36-F57 HydrophobicContact CE3-CZ 3.79Å; W36-F57 HydrophobicContact CG-CE2 4.38Å; W36-F57 HydrophobicContact CG-CZ 4.35Å; W36-F57 HydrophobicContact CZ3-CZ 4.15Å; F39-F57 HydrophobicContact CB-CB 4.2Å; F39-F57 HydrophobicContact CB-CD1 4.01Å; F39-F57 HydrophobicContact CB-CG 4.14Å; F39-F57 HydrophobicContact CD1-CB 3.45Å; F39-F57 VanDerWaalsContact CD1-CB 3.45Å; F39-F57 HydrophobicContact CD1-CD2 4.45Å; F39-F57 HydrophobicContact CD1-CG 4.01Å; F39-F57 HydrophobicContact CE1-CB 4.18Å; F39-F57 HydrophobicContact CG-CB 4.19Å; F39-F57 HydrophobicContact CG-CG 4.34Å; Q40-F57 CarbonylContact O-C 3.58Å; Q40-F57 VanDerWaalsContact O-CA 3.23Å; Q40-F57 WeakPolarHBondContact O-CA 3.47Å; Q40-F57 WeakPolarHBondContact O-CD1 3.17Å; L41-F57 HydrophobicContact CD2-CD1 3.99Å; L41-F57 HydrophobicContact CD2-CE1 3.43Å; L41-F57 VanDerWaalsContact CD2-CE1 3.43Å; L41-F57 HydrophobicContact CD2-CZ 4.26Å; L41-F57 HydrophobicContact CG-CD1 4.5Å; L41-F57 HydrophobicContact CG-CE1 4.14Å; I55-F57 HydrophobicContact CB-CE2 4.21Å; I55-F57 HydrophobicContact CB-CZ 4.37Å; I55-F57 HydrophobicContact CG2-CD1 4.15Å; I55-F57 HydrophobicContact CG2-CD2 4.04Å; I55-F57 HydrophobicContact CG2-CE1 3.75Å; I55-F57 HydrophobicContact CG2-CE2 3.61Å; I55-F57 HydrophobicContact CG2-CG 4.29Å; I55-F57 HydrophobicContact CG2-CZ 3.46Å; I55-F57 VanDerWaalsContact CG2-CZ 3.46Å; F57-L65 CarbonylContact O-C 3.57Å; F57-L65 VanDerWaalsContact O-CA 3.29Å; F57-L65 WeakPolarHBondContact O-CA 3.3Å; F57-F66 PolarHBondContact N-O 2.88Å; F57-F66 PolarHBondContact O-N 3.37Å; F57-V68 HydrophobicContact CD2-CG2 4.03Å; F57-V68 HydrophobicContact CE2-CB 4.24Å; F57-V68 HydrophobicContact CE2-CG2 3.69Å; F57-F469 HydrophobicContact CE1-CE1 4.43Å; F57-F469 HydrophobicContact CZ-CE1 4.24Å; F57-F469 HydrophobicContact CZ-CZ 4.48Å; F57-A481 HydrophobicContact CD1-CB 4.23Å; F57-A481 HydrophobicContact CE1-CB 3.59Å; F57-A481 HydrophobicContact CZ-CB 4.38Å
58	A	97.1	Very high	93.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	145.3	155.5	0	0	0	0	0	108.8	F39 Q40 K64 L65 L380	F39-A58 WeakPolarHBondContact CA-O 3.49Å; Q40-A58 PolarHBondContact N-O 3.09Å; Q40-A58 PolarHBondContact O-N 3.35Å; A58-K64 WeakPolarHBondContact CA-O 3.33Å; A58-L65 HydrophobicContact CB-CD2 3.69Å; A58-L380 HydrophobicContact CB-CD1 3.94Å; A58-L380 HydrophobicContact CB-CD2 3.95Å; A58-L380 HydrophobicContact CB-CG 3.91Å
59	N	96.2	Very high	93.7	Very high	16 Å²	16	24.4 Å²	24.4	9%	0.086	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	172.4	169.1	71.9	-36.8	0	0	0	111.3	D38 Q40 D61 G62 S63 K64 F66	D38-N59 CarbonylContact O-C 3.53Å; D38-N59 VanDerWaalsContact O-CA 3.23Å; D38-N59 WeakPolarHBondContact O-CA 3.42Å; Q40-N59 PolarHBondContact NE2-O 3.45Å; N59-D61 VanDerWaalsContact C-N 3.3Å; N59-D61 VanDerWaalsContact CG-OD1 3.28Å; N59-D61 PolarHBondContact ND2-OD1 3.29Å; N59-D61 PolarHBondContact O-N 2.87Å; N59-D61 PolarHBondContact OD1-OD1 2.93Å; N59-G62 PolarHBondContact O-N 3.31Å; N59-G62 PolarHBondContact OD1-N 2.9Å; N59-S63 PolarHBondContact ND2-OG 2.95Å; N59-S63 PolarHBondContact OD1-N 3.16Å; N59-K64 PolarHBondContact N-O 2.9Å; N59-K64 VanDerWaalsContact N-O 3.16Å; N59-K64 PolarHBondContact OD1-N 3Å; N59-K64 PolarHBondContact OD1-O 3.23Å; N59-K64 VanDerWaalsContact OD1-O 3.13Å; N59-F66 HydrophobicContact CB-CE2 4.07Å
60	G	93.3	Very high	93.3	Very high	8 Å²	8	24.7 Å²	24.7	8%	0.082	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-38.7	-169.2	0	0	0	0	0	114.4	D38 Q40	D38-G60 PolarHBondContact O-N 3.25Å; D38-G60 WeakPolarHBondContact OD1-CA 3.35Å; D38-G60 PolarHBondContact OD1-N 3.44Å; Q40-G60 PolarHBondContact NE2-O 3.15Å
61	D	93.4	Very high	92.5	Very high	78 Å²	78	24.4 Å²	24.4	42%	0.417	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.8	178.3	70.3	4.4	0	0	0	114.4	N59 S63 P102 S378	N59-D61 VanDerWaalsContact C-N 3.3Å; N59-D61 VanDerWaalsContact CG-OD1 3.28Å; N59-D61 PolarHBondContact ND2-OD1 3.29Å; N59-D61 PolarHBondContact O-N 2.87Å; N59-D61 PolarHBondContact OD1-OD1 2.93Å; D61-S63 VanDerWaalsContact C-N 3.31Å; D61-S63 VanDerWaalsContact OD1-CB 3.23Å; D61-S63 WeakPolarHBondContact OD1-CB 3.29Å; D61-S63 PolarHBondContact OD1-N 3.41Å; D61-S63 PolarHBondContact OD1-OG 2.82Å; D61-S63 PolarHBondContact OD2-OG 3.27Å; D61-P102 WeakPolarHBondContact O-CB 3.36Å; D61-S378 PolarHBondContact O-OG 3.11Å
62	G	95.1	Very high	91.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	73.5	13.6	-178	0	0	0	0	0	114.8	N59 K64 V103	N59-G62 PolarHBondContact O-N 3.31Å; N59-G62 PolarHBondContact OD1-N 2.9Å; G62-K64 VanDerWaalsContact C-N 3.31Å; G62-V103 WeakPolarHBondContact O-CB 3.13Å; G62-V103 PolarHBondContact O-N 3.35Å
63	S	96.1	Very high	89.8	Confident	29 Å²	29	25 Å²	25	20%	0.203	14%	0.135	C	C	.	.	S	Bend	trans	-75.3	-18.2	178.6	60.2	0	0	0	0	114.1	N59 D61	N59-S63 PolarHBondContact ND2-OG 2.95Å; N59-S63 PolarHBondContact OD1-N 3.16Å; D61-S63 VanDerWaalsContact C-N 3.31Å; D61-S63 VanDerWaalsContact OD1-CB 3.23Å; D61-S63 WeakPolarHBondContact OD1-CB 3.29Å; D61-S63 PolarHBondContact OD1-N 3.41Å; D61-S63 PolarHBondContact OD1-OG 2.82Å; D61-S63 PolarHBondContact OD2-OG 3.27Å
64	K	97.6	Very high	87.6	Confident	65 Å²	65	32.5 Å²	32.5	28%	0.283	17%	0.167	S	C	.	.			trans	-142.6	153.2	-174.7	-64.9	-179.2	172.9	-155.8	0	112.1	A58 N59 G62 F66 E93 I95	A58-K64 WeakPolarHBondContact CA-O 3.33Å; N59-K64 PolarHBondContact N-O 2.9Å; N59-K64 VanDerWaalsContact N-O 3.16Å; N59-K64 PolarHBondContact OD1-N 3Å; N59-K64 PolarHBondContact OD1-O 3.23Å; N59-K64 VanDerWaalsContact OD1-O 3.13Å; G62-K64 VanDerWaalsContact C-N 3.31Å; K64-F66 HydrophobicContact CB-CD2 4.32Å; K64-F66 HydrophobicContact CB-CE2 3.54Å; K64-F66 HydrophobicContact CB-CZ 4.15Å; K64-F66 HydrophobicContact CD-CE2 4.19Å; K64-F66 HydrophobicContact CD-CZ 3.98Å; K64-E93 WeakPolarHBondContact CD-OE2 3.32Å; K64-E93 WeakPolarHBondContact CE-OE2 3.47Å; K64-E93 IonicContact NZ-OE2 2.76Å; K64-E93 PolarHBondContact NZ-OE2 2.83Å; K64-I95 WeakPolarHBondContact CA-O 3.4Å
65	L	98.2	Very high	85.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.2	170.8	-58.4	-178.6	0	0	0	111.6	F57 A58 I94 I95 V103 V106 L119 L121	F57-L65 CarbonylContact O-C 3.57Å; F57-L65 VanDerWaalsContact O-CA 3.29Å; F57-L65 WeakPolarHBondContact O-CA 3.3Å; A58-L65 HydrophobicContact CB-CD2 3.69Å; L65-I94 HydrophobicContact CB-CD1 4.12Å; L65-I94 HydrophobicContact CB-CG1 3.82Å; L65-I94 WeakPolarHBondContact O-CG1 3.47Å; L65-I94 PolarHBondContact O-N 3.45Å; L65-I95 HydrophobicContact CB-CB 4.03Å; L65-I95 HydrophobicContact CB-CG1 4.4Å; L65-I95 HydrophobicContact CD1-CB 4.35Å; L65-I95 HydrophobicContact CD1-CG1 4.18Å; L65-I95 HydrophobicContact CG-CB 4.29Å; L65-I95 PolarHBondContact N-O 3.28Å; L65-I95 PolarHBondContact O-N 2.78Å; L65-V103 HydrophobicContact CD2-CG1 4.24Å; L65-V106 HydrophobicContact CD1-CG2 3.82Å; L65-V106 HydrophobicContact CD2-CG2 4.01Å; L65-L119 HydrophobicContact CD1-CD1 4.24Å; L65-L121 HydrophobicContact CD1-CD2 3.55Å
66	F	97.7	Very high	82.7	Confident	32 Å²	32	36.6 Å²	36.6	14%	0.14	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.1	-179.4	-61.9	-103.9	0	0	0	110.4	F39 I56 F57 N59 K64 P91 V92 E93	F39-F66 HydrophobicContact CD1-CD2 4.41Å; F39-F66 HydrophobicContact CE1-CB 3.87Å; F39-F66 HydrophobicContact CE1-CD1 4.3Å; F39-F66 AromaticContact CE1-CD2 3.49Å; F39-F66 HydrophobicContact CE1-CD2 3.49Å; F39-F66 VanDerWaalsContact CE1-CD2 3.49Å; F39-F66 HydrophobicContact CE1-CE2 4.03Å; F39-F66 AromaticContact CE1-CG 3.63Å; F39-F66 HydrophobicContact CE1-CG 3.63Å; F39-F66 HydrophobicContact CZ-CD1 4.42Å; F39-F66 HydrophobicContact CZ-CD2 4.26Å; F39-F66 HydrophobicContact CZ-CG 4.2Å; I56-F66 CarbonylContact C-O 3.57Å; I56-F66 WeakPolarHBondContact CA-O 3.28Å; F57-F66 PolarHBondContact N-O 2.88Å; F57-F66 PolarHBondContact O-N 3.37Å; N59-F66 HydrophobicContact CB-CE2 4.07Å; K64-F66 HydrophobicContact CB-CD2 4.32Å; K64-F66 HydrophobicContact CB-CE2 3.54Å; K64-F66 HydrophobicContact CB-CZ 4.15Å; K64-F66 HydrophobicContact CD-CE2 4.19Å; K64-F66 HydrophobicContact CD-CZ 3.98Å; F66-P91 HydrophobicContact CB-CB 3.97Å; F66-P91 HydrophobicContact CD1-CB 4.2Å; F66-P91 HydrophobicContact CG-CB 4.4Å; F66-V92 CarbonylContact C-O 3.54Å; F66-V92 WeakPolarHBondContact CA-O 3.31Å; F66-E93 HydrophobicContact CD1-CB 4Å; F66-E93 HydrophobicContact CE1-CB 3.8Å; F66-E93 HydrophobicContact CE1-CG 4.27Å; F66-E93 HydrophobicContact CZ-CB 4.46Å; F66-E93 HydrophobicContact CZ-CG 4.45Å
67	A	96.2	Very high	80.2	Confident	3 Å²	3	39 Å²	39	3%	0.025	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.3	171.9	0	0	0	0	0	110.7	L47 I55 P91 V92 I94	L47-A67 HydrophobicContact CD1-CB 3.46Å; L47-A67 VanDerWaalsContact CD1-CB 3.46Å; I55-A67 CarbonylContact O-C 3.54Å; I55-A67 WeakPolarHBondContact O-CA 3.44Å; A67-P91 WeakPolarHBondContact O-CA 3.49Å; A67-V92 PolarHBondContact N-O 3.28Å; A67-V92 PolarHBondContact O-N 3.48Å; A67-I94 HydrophobicContact CB-CD1 4.33Å; A67-I94 HydrophobicContact CB-CG2 3.6Å
68	V	93.6	Very high	77.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	106.3	164.2	173.7	0	0	0	0	107.1	W36 I55 F57 F88 P91	W36-V68 HydrophobicContact CZ2-CG1 4.49Å; I55-V68 PolarHBondContact N-O 3.28Å; I55-V68 VanDerWaalsContact N-O 3.14Å; I55-V68 PolarHBondContact O-N 3.47Å; F57-V68 HydrophobicContact CD2-CG2 4.03Å; F57-V68 HydrophobicContact CE2-CB 4.24Å; F57-V68 HydrophobicContact CE2-CG2 3.69Å; V68-F88 HydrophobicContact CG1-CB 4.31Å; V68-F88 HydrophobicContact CG1-CD1 3.8Å; V68-F88 HydrophobicContact CG1-CG 4.49Å; V68-P91 HydrophobicContact CG2-CB 3.95Å; V68-P91 HydrophobicContact CG2-CG 3.76Å
69	L	90.3	Very high	75.1	Confident	60 Å²	60	41.5 Å²	41.5	31%	0.314	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-76.6	137.2	174.4	-57.7	-177	0	0	0	110.2	L47 D54 S89	L47-L69 HydrophobicContact CB-CD2 3.94Å; L47-L69 HydrophobicContact CD1-CD2 3.96Å; D54-L69 HydrophobicContact CB-CD2 4.06Å; D54-L69 VanDerWaalsContact OD1-CA 3.23Å; D54-L69 WeakPolarHBondContact OD1-CA 3.09Å; D54-L69 VanDerWaalsContact OD2-CD2 3.27Å; D54-L69 WeakPolarHBondContact OD2-CD2 3.27Å; L69-S89 PolarHBondContact O-OG 3.49Å
70	Q	84.7	Confident	72.8	Confident	13 Å²	13	45.6 Å²	45.6	6%	0.061	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-69.4	137.3	176.6	-64.3	-62.1	-5.5	0	0	111.4	R52 M53 D54	R52-Q70 HydrophobicContact CB-CB 3.84Å; R52-Q70 HydrophobicContact CB-CG 4.23Å; M53-Q70 WeakPolarHBondContact O-CG 3.48Å; M53-Q70 PolarHBondContact O-NE2 3.45Å; D54-Q70 PolarHBondContact OD1-N 2.88Å
71	S	71.4	Confident	70.4	Confident	29 Å²	29	49.4 Å²	49.4	20%	0.203	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-77.5	158.6	-179.5	57.1	0	0	0	0	111.8	N73 K87	S71-N73 PolarHBondContact O-N 3.25Å; S71-K87 WeakPolarHBondContact CB-O 3.23Å; S71-K87 PolarHBondContact OG-O 2.94Å
72	D	60.5	Low	68.2	Low	111 Å²	111	47.3 Å²	47.3	59%	0.594	27%	0.271	S	S	*	.			trans	-76	51.6	-177.7	-136.8	20.3	0	0	0	111.7	R52 K74	R52-D72 IonicContact CZ-OD1 3.6Å; R52-D72 IonicContact NH1-OD1 3.66Å; R52-D72 PolarHBondContact NH1-OD1 3.45Å; R52-D72 IonicContact NH2-OD1 2.57Å; R52-D72 PolarHBondContact NH2-OD1 3.36Å; D72-K74 PolarHBondContact O-N 2.9Å; D72-K74 VanDerWaalsContact O-N 3.08Å
73	N	54.7	Low	66	Low	64 Å²	64	49 Å²	49	34%	0.342	28%	0.279	S	S	.	.			trans	-75.3	99.2	169.4	-75.3	-12.7	0	0	0	107.3	S71 G75	S71-N73 PolarHBondContact O-N 3.25Å; N73-G75 PolarHBondContact O-N 3.16Å; N73-G75 VanDerWaalsContact O-N 3.09Å
74	K	41.8	Very low	63.7	Low	174 Å²	174	53.4 Å²	53.4	76%	0.757	31%	0.31	S	S	*	.			trans	-60.8	113.5	-177.8	-66.8	-175.9	178.5	-178.9	0	110.8	D72 Q77	D72-K74 PolarHBondContact O-N 2.9Å; D72-K74 VanDerWaalsContact O-N 3.08Å; K74-Q77 PolarHBondContact O-NE2 3.43Å
75	G	43.9	Very low	61.5	Low	49 Å²	49	53.4 Å²	53.4	51%	0.505	32%	0.318	S	S	.	.	S	Bend	trans	92.2	154.8	158.8	0	0	0	0	0	115.6	N73 Q77	N73-G75 PolarHBondContact O-N 3.16Å; N73-G75 VanDerWaalsContact O-N 3.09Å; G75-Q77 VanDerWaalsContact O-CG 3.31Å; G75-Q77 WeakPolarHBondContact O-CG 3.36Å; G75-Q77 PolarHBondContact O-N 3.06Å
76	F	40.8	Very low	59.7	Low	38 Å²	38	54.8 Å²	54.8	17%	0.167	33%	0.327	C	S	.	.			trans	-38.6	108.9	161.3	-97.2	-104.7	0	0	0	109.2	D462 D463 F494 Q617 P618	F76-D462 WeakPolarHBondContact CE2-O 3.41Å; F76-D462 VanDerWaalsContact CZ-O 3.29Å; F76-D462 WeakPolarHBondContact CZ-O 3.23Å; F76-D463 HydrophobicContact CD1-CB 3.36Å; F76-D463 HydrophobicContact CE1-CB 3.47Å; F76-D463 VanDerWaalsContact CE1-CB 3.47Å; F76-D463 VanDerWaalsContact CE1-O 3.3Å; F76-D463 WeakPolarHBondContact CE1-O 3.38Å; F76-D463 HydrophobicContact CG-CB 4.2Å; F76-D463 VanDerWaalsContact CZ-CA 3.47Å; F76-D463 HydrophobicContact CZ-CB 4.26Å; F76-F494 HydrophobicContact CE1-CZ 4.36Å; F76-F494 AromaticContact CZ-CZ 3.9Å; F76-F494 HydrophobicContact CZ-CZ 3.9Å; F76-Q617 HydrophobicContact CB-CG 4.18Å; F76-Q617 HydrophobicContact CD1-CG 3.51Å; F76-Q617 HydrophobicContact CD2-CB 4.49Å; F76-Q617 HydrophobicContact CD2-CG 3.95Å; F76-Q617 HydrophobicContact CE1-CB 4.21Å; F76-Q617 HydrophobicContact CE1-CG 3.56Å; F76-Q617 HydrophobicContact CE2-CB 4.25Å; F76-Q617 HydrophobicContact CE2-CG 4.09Å; F76-Q617 HydrophobicContact CG-CG 3.65Å; F76-Q617 HydrophobicContact CZ-CB 4.09Å; F76-Q617 HydrophobicContact CZ-CG 3.89Å; F76-P618 HydrophobicContact CB-CG 4.44Å
77	Q	43.6	Very low	58.1	Low	51 Å²	51	61.3 Å²	61.3	24%	0.238	36%	0.355	C	S	.	.			trans	-117.3	113.4	-175	-93.1	175.1	31.3	0	0	107.6	K74 G75 T79 I82	K74-Q77 PolarHBondContact O-NE2 3.43Å; G75-Q77 VanDerWaalsContact O-CG 3.31Å; G75-Q77 WeakPolarHBondContact O-CG 3.36Å; G75-Q77 PolarHBondContact O-N 3.06Å; Q77-T79 PolarHBondContact O-N 2.93Å; Q77-I82 HydrophobicContact CB-CD1 3.86Å; Q77-I82 VanDerWaalsContact CD-CD1 3.43Å; Q77-I82 HydrophobicContact CG-CD1 3.64Å
78	S	42.7	Very low	56.8	Low	39 Å²	39	62.6 Å²	62.6	27%	0.273	36%	0.36	S	S	.	.			trans	-49.6	126.5	173.2	176.2	0	0	0	0	110	S80 Y620	S78-S80 PolarHBondContact O-N 2.77Å; S78-S80 VanDerWaalsContact O-N 3.11Å; S78-Y620 PolarHBondContact N-OH 2.99Å
79	T	45.1	Very low	56.1	Low	13 Å²	13	64.7 Å²	64.7	8%	0.08	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-57.8	-26.8	-169.5	53.6	0	0	0	0	112.7	Q77 S81 S486	Q77-T79 PolarHBondContact O-N 2.93Å; T79-S81 PolarHBondContact O-N 3.3Å; T79-S486 WeakPolarHBondContact CB-O 3.49Å; T79-S486 WeakPolarHBondContact CG2-O 3.44Å
80	S	47.6	Very low	55.9	Low	102 Å²	102	66.5 Å²	66.5	71%	0.713	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-69.9	-25.8	-169	71.6	0	0	0	0	115.7	S78	S78-S80 PolarHBondContact O-N 2.77Å; S78-S80 VanDerWaalsContact O-N 3.11Å
81	S	44.1	Very low	56.3	Low	87 Å²	87	67.8 Å²	67.8	61%	0.608	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-106.6	-0.2	-174.8	58	0	0	0	0	115.7	T79	T79-S81 PolarHBondContact O-N 3.3Å
82	I	46.7	Very low	57.4	Low	35 Å²	35	70.3 Å²	70.3	18%	0.179	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	-5.1	-160.4	-60.9	-164.6	0	0	0	115.2	Q77 S84 S85 V86	Q77-I82 HydrophobicContact CB-CD1 3.86Å; Q77-I82 VanDerWaalsContact CD-CD1 3.43Å; Q77-I82 HydrophobicContact CG-CD1 3.64Å; I82-S84 PolarHBondContact O-N 3.27Å; I82-S85 WeakPolarHBondContact CG2-OG 3.32Å; I82-S85 PolarHBondContact O-N 2.95Å; I82-S85 PolarHBondContact O-OG 3.22Å; I82-V86 HydrophobicContact CG2-CG2 3.85Å; I82-V86 PolarHBondContact O-N 3.47Å
83	L	48.9	Very low	59.2	Low	35 Å²	35	69.4 Å²	69.4	18%	0.183	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.6	178	-91.8	131.1	0	0	0	114.4	Q31 L33 T487	Q31-L83 HydrophobicContact CB-CD1 4.34Å; Q31-L83 HydrophobicContact CB-CD2 3.79Å; Q31-L83 HydrophobicContact CG-CD2 3.78Å; L33-L83 HydrophobicContact CB-CD2 4.4Å; L33-L83 HydrophobicContact CD1-CD2 3.81Å; L33-L83 HydrophobicContact CD1-CG 4.37Å; L83-T487 HydrophobicContact CD1-CG2 4.08Å
84	S	48.2	Very low	61.2	Low	121 Å²	121	67.4 Å²	67.4	85%	0.846	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-9.8	175.9	59.7	0	0	0	0	115.3	I82	I82-S84 PolarHBondContact O-N 3.27Å
85	S	51.4	Low	63.9	Low	65 Å²	65	59.5 Å²	59.5	46%	0.455	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-7.9	-171	54.6	0	0	0	0	115.9	I82 K87	I82-S85 WeakPolarHBondContact CG2-OG 3.32Å; I82-S85 PolarHBondContact O-N 2.95Å; I82-S85 PolarHBondContact O-OG 3.22Å; S85-K87 PolarHBondContact O-N 2.89Å
86	V	60.3	Low	66.4	Low	29 Å²	29	57.9 Å²	57.9	18%	0.176	34%	0.344	C	S	.	.			trans	-69.3	107	176.2	-172.6	0	0	0	0	109.2	L33 I82 F88	L33-V86 HydrophobicContact CD1-CB 4.07Å; L33-V86 HydrophobicContact CD1-CG2 4.21Å; L33-V86 HydrophobicContact CD2-CB 4.21Å; L33-V86 HydrophobicContact CD2-CG1 4.13Å; L33-V86 HydrophobicContact CD2-CG2 4.48Å; I82-V86 HydrophobicContact CG2-CG2 3.85Å; I82-V86 PolarHBondContact O-N 3.47Å; V86-F88 HydrophobicContact CG1-CE2 4.12Å; V86-F88 HydrophobicContact CG1-CZ 4.33Å
87	K	62.8	Low	69	Low	170 Å²	170	61.8 Å²	61.8	74%	0.739	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-93.5	116.1	170.8	-68.6	-174.8	179.7	-178.4	0	108.6	S71 S85	S71-K87 WeakPolarHBondContact CB-O 3.23Å; S71-K87 PolarHBondContact OG-O 2.94Å; S85-K87 PolarHBondContact O-N 2.89Å
88	F	70.6	Confident	71.5	Confident	29 Å²	29	64 Å²	64	13%	0.127	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-73.6	142.8	164.7	-73.1	-83.5	0	0	0	109.9	L33 N34 W36 V68 V86 L483	L33-F88 HydrophobicContact CD2-CE2 3.41Å; L33-F88 VanDerWaalsContact CD2-CE2 3.41Å; L33-F88 HydrophobicContact CD2-CZ 3.6Å; L33-F88 HydrophobicContact CG-CE2 3.9Å; N34-F88 HydrophobicContact CB-CD2 3.89Å; N34-F88 HydrophobicContact CB-CE2 3.83Å; N34-F88 VanDerWaalsContact ND2-CD2 3.28Å; N34-F88 WeakPolarHBondContact ND2-CD2 3.41Å; W36-F88 HydrophobicContact CH2-CD1 4.29Å; W36-F88 HydrophobicContact CH2-CD2 4.43Å; W36-F88 HydrophobicContact CH2-CE1 4.19Å; W36-F88 HydrophobicContact CH2-CE2 4.34Å; W36-F88 HydrophobicContact CH2-CG 4.42Å; W36-F88 HydrophobicContact CH2-CZ 4.24Å; W36-F88 HydrophobicContact CZ2-CB 4.35Å; W36-F88 AromaticContact CZ2-CD1 3.91Å; W36-F88 HydrophobicContact CZ2-CD1 3.91Å; W36-F88 HydrophobicContact CZ2-CD2 4.15Å; W36-F88 HydrophobicContact CZ2-CE1 4.28Å; W36-F88 HydrophobicContact CZ2-CE2 4.49Å; W36-F88 AromaticContact CZ2-CG 3.85Å; W36-F88 HydrophobicContact CZ2-CG 3.85Å; V68-F88 HydrophobicContact CG1-CB 4.31Å; V68-F88 HydrophobicContact CG1-CD1 3.8Å; V68-F88 HydrophobicContact CG1-CG 4.49Å; V86-F88 HydrophobicContact CG1-CE2 4.12Å; V86-F88 HydrophobicContact CG1-CZ 4.33Å; F88-L483 HydrophobicContact CE1-CD2 4.25Å; F88-L483 HydrophobicContact CE2-CD2 4.34Å; F88-L483 HydrophobicContact CZ-CD2 3.54Å
89	S	77.9	Confident	74.1	Confident	44 Å²	44	63 Å²	63	31%	0.308	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-59.9	143.2	160.8	-56.6	0	0	0	0	108.7	L69	L69-S89 PolarHBondContact O-OG 3.49Å
90	P	86.2	Confident	76.6	Confident	98 Å²	98	67 Å²	67	64%	0.636	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-59.7	148.4	172.2	27.1	-34.2	0	0	0	109.9	V92	P90-V92 PolarHBondContact O-N 3.47Å
91	P	93.4	Very high	78.9	Confident	40 Å²	40	65.1 Å²	65.1	26%	0.26	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-56	125.2	171.9	-22.6	32.1	0	0	0	111	F39 F66 A67 V68	F39-P91 HydrophobicContact CE1-CB 4.34Å; F39-P91 HydrophobicContact CE2-CG 4.32Å; F39-P91 HydrophobicContact CZ-CB 3.96Å; F39-P91 HydrophobicContact CZ-CG 4.1Å; F66-P91 HydrophobicContact CB-CB 3.97Å; F66-P91 HydrophobicContact CD1-CB 4.2Å; F66-P91 HydrophobicContact CG-CB 4.4Å; A67-P91 WeakPolarHBondContact O-CA 3.49Å; V68-P91 HydrophobicContact CG2-CB 3.95Å; V68-P91 HydrophobicContact CG2-CG 3.76Å
92	V	95.1	Very high	81.4	Confident	82 Å²	82	62.8 Å²	62.8	50%	0.497	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.8	178.4	-179.9	0	0	0	0	108.9	F66 A67 P90 I94	F66-V92 CarbonylContact C-O 3.54Å; F66-V92 WeakPolarHBondContact CA-O 3.31Å; A67-V92 PolarHBondContact N-O 3.28Å; A67-V92 PolarHBondContact O-N 3.48Å; P90-V92 PolarHBondContact O-N 3.47Å; V92-I94 PolarHBondContact O-N 2.96Å
93	E	97.1	Very high	83.8	Confident	93 Å²	93	61.2 Å²	61.2	44%	0.435	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	122.4	175.6	-170.1	178.1	118.6	0	0	109.8	K64 F66 G96	K64-E93 WeakPolarHBondContact CD-OE2 3.32Å; K64-E93 WeakPolarHBondContact CE-OE2 3.47Å; K64-E93 IonicContact NZ-OE2 2.76Å; K64-E93 PolarHBondContact NZ-OE2 2.83Å; F66-E93 HydrophobicContact CD1-CB 4Å; F66-E93 HydrophobicContact CE1-CB 3.8Å; F66-E93 HydrophobicContact CE1-CG 4.27Å; F66-E93 HydrophobicContact CZ-CB 4.46Å; F66-E93 HydrophobicContact CZ-CG 4.45Å; E93-G96 WeakPolarHBondContact OE1-CA 3.18Å
94	I	97.2	Very high	86	Confident	22 Å²	22	59.8 Å²	59.8	11%	0.113	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-27.6	178.7	56.3	164.4	0	0	0	112.4	I56 L65 A67 V92 L119 F147	I56-I94 HydrophobicContact CD1-CD1 4.4Å; I56-I94 HydrophobicContact CG1-CD1 4.41Å; I56-I94 HydrophobicContact CG2-CD1 3.97Å; L65-I94 HydrophobicContact CB-CD1 4.12Å; L65-I94 HydrophobicContact CB-CG1 3.82Å; L65-I94 WeakPolarHBondContact O-CG1 3.47Å; L65-I94 PolarHBondContact O-N 3.45Å; A67-I94 HydrophobicContact CB-CD1 4.33Å; A67-I94 HydrophobicContact CB-CG2 3.6Å; V92-I94 PolarHBondContact O-N 2.96Å; I94-L119 HydrophobicContact CD1-CD1 4.2Å; I94-F147 HydrophobicContact CB-CD2 4.01Å; I94-F147 HydrophobicContact CB-CE2 4.09Å; I94-F147 HydrophobicContact CD1-CD2 4.26Å; I94-F147 HydrophobicContact CD1-CE2 3.73Å; I94-F147 HydrophobicContact CG1-CE2 4.45Å; I94-F147 HydrophobicContact CG2-CE2 4.43Å
95	I	97.8	Very high	88.3	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.041	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	117.4	171.2	-58.4	-68.7	0	0	0	107.1	K64 L65 V98 L119 L121 A136 F147 P150	K64-I95 WeakPolarHBondContact CA-O 3.4Å; L65-I95 HydrophobicContact CB-CB 4.03Å; L65-I95 HydrophobicContact CB-CG1 4.4Å; L65-I95 HydrophobicContact CD1-CB 4.35Å; L65-I95 HydrophobicContact CD1-CG1 4.18Å; L65-I95 HydrophobicContact CG-CB 4.29Å; L65-I95 PolarHBondContact N-O 3.28Å; L65-I95 PolarHBondContact O-N 2.78Å; I95-V98 HydrophobicContact CG2-CG2 3.91Å; I95-L119 HydrophobicContact CG1-CD1 4.29Å; I95-L121 HydrophobicContact CG1-CD1 4.46Å; I95-A136 HydrophobicContact CD1-CB 4.14Å; I95-F147 HydrophobicContact CD1-CB 3.95Å; I95-P150 HydrophobicContact CD1-CG 4.22Å; I95-P150 HydrophobicContact CG2-CG 4.44Å
96	G	96.2	Very high	90.5	Very high	14 Å²	14	51.6 Å²	51.6	14%	0.144	29%	0.29	C	S	.	.			trans	-80.6	-165.9	176.6	0	0	0	0	0	113	E93 V98	E93-G96 WeakPolarHBondContact OE1-CA 3.18Å; G96-V98 PolarHBondContact O-N 3.34Å
97	N	95.6	Very high	92.3	Very high	120 Å²	120	50.7 Å²	50.7	64%	0.642	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	64	177.2	-171.5	28.8	0	0	0	111.5
98	V	97	Very high	93.8	Very high	98 Å²	98	43 Å²	43	59%	0.594	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-17.2	-176.5	-60	0	0	0	0	112.9	I95 G96 P150	I95-V98 HydrophobicContact CG2-CG2 3.91Å; G96-V98 PolarHBondContact O-N 3.34Å; V98-P150 HydrophobicContact CG2-CG 4.12Å
99	L	97.5	Very high	95.1	Very high	18 Å²	18	41.7 Å²	41.7	9%	0.094	25%	0.247	C	C	.	.	S	Bend	trans	-87.6	144.4	178.9	-68.1	166.8	0	0	0	110.5	K101 V103 L121 T123 Y134 P150	L99-K101 VanDerWaalsContact C-N 3.28Å; L99-K101 PolarHBondContact O-N 2.85Å; L99-V103 HydrophobicContact CD1-CG2 3.64Å; L99-L121 HydrophobicContact CD1-CB 4.44Å; L99-L121 HydrophobicContact CD1-CD1 3.94Å; L99-T123 HydrophobicContact CB-CG2 4.36Å; L99-T123 HydrophobicContact CD1-CG2 3.8Å; L99-T123 HydrophobicContact CD2-CG2 4.38Å; L99-T123 HydrophobicContact CG-CG2 4.41Å; L99-Y134 HydrophobicContact CD2-CD1 3.86Å; L99-Y134 HydrophobicContact CD2-CD2 3.76Å; L99-Y134 HydrophobicContact CD2-CE1 4.06Å; L99-Y134 HydrophobicContact CD2-CE2 3.96Å; L99-Y134 HydrophobicContact CD2-CG 3.74Å; L99-P150 HydrophobicContact CD2-CB 3.87Å; L99-P150 HydrophobicContact CD2-CG 4.14Å; L99-P150 HydrophobicContact CG-CG 4.5Å
100	P	96.2	Very high	96	Very high	96 Å²	96	39.7 Å²	39.7	62%	0.623	23%	0.233	S	C	*	.	S	Bend	trans	-74.8	-17.6	-176	30	-35.7	0	0	0	113.7	Y134	P100-Y134 VanDerWaalsContact CG-OH 3.28Å; P100-Y134 WeakPolarHBondContact CG-OH 3.05Å
101	K	96.7	Very high	96.6	Very high	64 Å²	64	35 Å²	35	28%	0.278	20%	0.203	S	C	.	.	S	Bend	trans	-134.1	155.1	-178.1	-67	174	-178.3	166.1	0	109.4	L99 D132	L99-K101 VanDerWaalsContact C-N 3.28Å; L99-K101 PolarHBondContact O-N 2.85Å; K101-D132 WeakPolarHBondContact CD-OD2 3.45Å; K101-D132 WeakPolarHBondContact CE-OD2 3.37Å; K101-D132 IonicContact NZ-OD1 3.93Å; K101-D132 IonicContact NZ-OD2 2.67Å; K101-D132 PolarHBondContact NZ-OD2 3.45Å
102	P	96.5	Very high	96.8	Very high	38 Å²	38	34.6 Å²	34.6	25%	0.247	20%	0.198	C	C	.	.			trans	-55.4	142.5	174.6	-26.7	35.7	0	0	0	112.7	D61 R104 T123 G124 S378	D61-P102 WeakPolarHBondContact O-CB 3.36Å; P102-R104 PolarHBondContact O-N 3Å; P102-T123 VanDerWaalsContact O-CA 3.22Å; P102-T123 WeakPolarHBondContact O-CA 3.4Å; P102-T123 WeakPolarHBondContact O-CB 3.16Å; P102-G124 PolarHBondContact O-N 3.47Å; P102-G124 VanDerWaalsContact O-N 3.13Å; P102-S378 WeakPolarHBondContact CG-OG 3.47Å
103	V	97	Very high	96.8	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.8	168.5	-177.9	0	0	0	0	109	G62 L65 L99 V106 T123 L380	G62-V103 WeakPolarHBondContact O-CB 3.13Å; G62-V103 PolarHBondContact O-N 3.35Å; L65-V103 HydrophobicContact CD2-CG1 4.24Å; L99-V103 HydrophobicContact CD1-CG2 3.64Å; V103-V106 HydrophobicContact CG1-CG2 3.7Å; V103-T123 HydrophobicContact CG2-CG2 4.45Å; V103-L380 HydrophobicContact CG1-CD2 4.16Å
104	R	96.1	Very high	96.8	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-21.8	-179	-61.3	-55.2	-57.5	-164.1	4.6	111.7	P102 V122 D127 F131 G379 L380 L381	P102-R104 PolarHBondContact O-N 3Å; R104-V122 WeakPolarHBondContact CA-O 3.32Å; R104-V122 PolarHBondContact N-O 2.8Å; R104-D127 IonicContact CZ-OD1 3.23Å; R104-D127 VanDerWaalsContact CZ-OD1 3.23Å; R104-D127 IonicContact NH1-OD1 3.3Å; R104-D127 PolarHBondContact NH1-OD1 2.73Å; R104-D127 VanDerWaalsContact NH2-CG 3.31Å; R104-D127 IonicContact NH2-OD1 2.6Å; R104-D127 PolarHBondContact NH2-OD1 2.89Å; R104-D127 IonicContact NH2-OD2 2.82Å; R104-F131 HydrophobicContact CB-CD1 4.46Å; R104-F131 HydrophobicContact CB-CE1 4.36Å; R104-F131 HydrophobicContact CG-CD1 4.41Å; R104-F131 HydrophobicContact CG-CE1 4.29Å; R104-G379 VanDerWaalsContact CD-O 3.28Å; R104-G379 WeakPolarHBondContact CD-O 3.49Å; R104-G379 PolarHBondContact NE-O 3.39Å; R104-G379 PolarHBondContact NH1-O 3.04Å; R104-L380 CarbonylContact O-C 3.59Å; R104-L380 WeakPolarHBondContact O-CA 3.19Å; R104-L381 HydrophobicContact CB-CD1 3.94Å; R104-L381 HydrophobicContact CB-CG 4Å; R104-L381 VanDerWaalsContact NH2-CD2 3.32Å; R104-L381 WeakPolarHBondContact O-CB 3.11Å; R104-L381 PolarHBondContact O-N 2.92Å
105	G	96.1	Very high	96.7	Very high	4 Å²	4	28 Å²	28	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	150.3	177.3	0	0	0	0	0	111.4	V122	G105-V122 PolarHBondContact N-O 3.1Å; G105-V122 VanDerWaalsContact N-O 3.15Å; G105-V122 PolarHBondContact O-N 2.81Å
106	V	97.3	Very high	96.5	Very high	11 Å²	11	29.5 Å²	29.5	7%	0.067	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.1	175.7	-178.1	0	0	0	0	107.7	A42 A43 L65 V103 L119 L120 L121	A42-V106 HydrophobicContact CB-CB 4.03Å; A42-V106 HydrophobicContact CB-CG2 3.89Å; A43-V106 HydrophobicContact CB-CG1 4.36Å; L65-V106 HydrophobicContact CD1-CG2 3.82Å; L65-V106 HydrophobicContact CD2-CG2 4.01Å; V103-V106 HydrophobicContact CG1-CG2 3.7Å; V106-L119 HydrophobicContact CG1-CD2 4.22Å; V106-L120 WeakPolarHBondContact CA-O 3.46Å; V106-L121 HydrophobicContact CG1-CD2 4.21Å; V106-L121 HydrophobicContact CG2-CD2 4.04Å
107	A	96.9	Very high	96.5	Very high	10 Å²	10	29.3 Å²	29.3	8%	0.083	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.7	165.5	0	0	0	0	0	109	L119 L120 V162	A107-L119 WeakPolarHBondContact O-CA 3.4Å; A107-L120 HydrophobicContact CB-CB 4.22Å; A107-L120 PolarHBondContact N-O 3.46Å; A107-L120 PolarHBondContact O-N 3.44Å; A107-V162 HydrophobicContact CB-CG2 3.76Å
108	T	96.2	Very high	96.6	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.043	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.2	179.7	52.8	0	0	0	0	108.4	A43 T45 I56 I117 D118 L119 T520	A43-T108 HydrophobicContact CB-CG2 3.83Å; T45-T108 HydrophobicContact CG2-CG2 3.91Å; I56-T108 HydrophobicContact CD1-CG2 3.83Å; T108-I117 HydrophobicContact CG2-CG2 4.11Å; T108-D118 WeakPolarHBondContact CA-O 3.39Å; T108-L119 HydrophobicContact CG2-CD2 3.77Å; T108-T520 WeakPolarHBondContact O-CB 3.33Å; T108-T520 VanDerWaalsContact O-CG2 3.32Å; T108-T520 WeakPolarHBondContact O-CG2 3.38Å; T108-T520 PolarHBondContact OG1-OG1 3.34Å
109	S	96.5	Very high	96.7	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	-179.4	173.4	-149	0	0	0	0	110.3	D118 A171 T520	S109-D118 PolarHBondContact N-O 3.04Å; S109-D118 CarbonylContact O-C 3.58Å; S109-D118 WeakPolarHBondContact O-CA 3.45Å; S109-D118 VanDerWaalsContact O-CB 3.24Å; S109-D118 WeakPolarHBondContact O-CB 2.96Å; S109-D118 PolarHBondContact O-N 3.3Å; S109-A171 VanDerWaalsContact CB-CB 3.49Å; S109-A171 WeakPolarHBondContact OG-CB 3.08Å; S109-T520 PolarHBondContact OG-O 3.07Å; S109-T520 VanDerWaalsContact OG-O 3.11Å
110	D	97	Very high	96.7	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.011	11%	0.107	C	C	.	.			trans	-106.2	101.3	172.8	176.8	6	0	0	0	108.9	N112 G113 D114 S115 I170 A171 N501 L519	D110-N112 PolarHBondContact OD1-N 2.68Å; D110-N112 PolarHBondContact OD1-OD1 2.84Å; D110-N112 VanDerWaalsContact OD1-OD1 3.09Å; D110-G113 WeakPolarHBondContact OD1-CA 3.25Å; D110-G113 PolarHBondContact OD1-N 2.85Å; D110-G113 VanDerWaalsContact OD2-C 3.3Å; D110-G113 WeakPolarHBondContact OD2-CA 3.32Å; D110-D114 PolarHBondContact OD1-N 2.8Å; D110-D114 VanDerWaalsContact OD1-N 3.13Å; D110-D114 PolarHBondContact OD2-N 3.32Å; D110-S115 VanDerWaalsContact OD2-CA 3.24Å; D110-S115 WeakPolarHBondContact OD2-CA 3.41Å; D110-S115 PolarHBondContact OD2-N 3.27Å; D110-I170 WeakPolarHBondContact O-CG2 3.19Å; D110-A171 WeakPolarHBondContact O-CB 3.35Å; D110-A171 PolarHBondContact O-N 2.9Å; D110-N501 PolarHBondContact OD2-ND2 2.9Å; D110-L519 HydrophobicContact CB-CD1 3.91Å; D110-L519 HydrophobicContact CB-CD2 3.99Å
111	F	98.4	Very high	96.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-89.4	-13.8	-174.4	-68.6	-77.7	0	0	0	113	D118 L120 V135 Y137 V162 I170 A171 V173 G186 G187	F111-D118 HydrophobicContact CD2-CB 3.75Å; F111-D118 HydrophobicContact CE2-CB 4.45Å; F111-D118 PolarHBondContact N-OD2 3.18Å; F111-L120 HydrophobicContact CE2-CB 3.93Å; F111-L120 HydrophobicContact CZ-CB 3.79Å; F111-L120 HydrophobicContact CZ-CD1 4.32Å; F111-L120 HydrophobicContact CZ-CG 4.47Å; F111-V135 HydrophobicContact CB-CG1 4.33Å; F111-V135 HydrophobicContact CD2-CG1 4.01Å; F111-V135 HydrophobicContact CG-CG1 4.34Å; F111-Y137 HydrophobicContact CB-CE1 4.39Å; F111-V162 HydrophobicContact CE1-CG1 4.23Å; F111-V162 HydrophobicContact CE1-CG2 4.44Å; F111-V162 HydrophobicContact CZ-CG1 4.18Å; F111-V162 HydrophobicContact CZ-CG2 4.03Å; F111-I170 WeakPolarHBondContact O-CG2 3.42Å; F111-A171 HydrophobicContact CD1-CB 3.65Å; F111-A171 VanDerWaalsContact CD1-O 3.27Å; F111-A171 WeakPolarHBondContact CD1-O 3.37Å; F111-A171 HydrophobicContact CE1-CB 3.7Å; F111-A171 HydrophobicContact CG-CB 4.23Å; F111-A171 HydrophobicContact CZ-CB 4.33Å; F111-V173 HydrophobicContact CD1-CG2 4.1Å; F111-V173 HydrophobicContact CE1-CG2 3.54Å; F111-V173 HydrophobicContact CZ-CG2 4.33Å; F111-G186 WeakPolarHBondContact O-CA 3.29Å; F111-G187 PolarHBondContact O-N 2.84Å
112	N	97.6	Very high	96.9	Very high	31 Å²	31	10.6 Å²	10.6	17%	0.166	6%	0.064	C	C	.	.	S	Bend	trans	-114.1	-5.6	-178.3	69.4	13	0	0	0	114.4	D110 D114 Y137 G187	D110-N112 PolarHBondContact OD1-N 2.68Å; D110-N112 PolarHBondContact OD1-OD1 2.84Å; D110-N112 VanDerWaalsContact OD1-OD1 3.09Å; N112-D114 VanDerWaalsContact CG-OD2 3.28Å; N112-D114 PolarHBondContact ND2-OD2 2.82Å; N112-D114 VanDerWaalsContact OD1-CB 3.24Å; N112-D114 WeakPolarHBondContact OD1-CB 3.17Å; N112-D114 PolarHBondContact OD1-N 3.38Å; N112-D114 PolarHBondContact OD1-OD2 2.61Å; N112-Y137 HydrophobicContact CB-CD1 4.09Å; N112-Y137 HydrophobicContact CB-CE1 3.81Å; N112-Y137 WeakPolarHBondContact ND2-CD1 3.37Å; N112-G187 WeakPolarHBondContact CA-O 3.46Å
113	G	96.3	Very high	96.9	Very high	22 Å²	22	8.8 Å²	8.8	23%	0.227	5%	0.052	C	C	.	.	S	Bend	trans	82.1	19.3	176.4	0	0	0	0	0	114.3	D110 L503	D110-G113 WeakPolarHBondContact OD1-CA 3.25Å; D110-G113 PolarHBondContact OD1-N 2.85Å; D110-G113 VanDerWaalsContact OD2-C 3.3Å; D110-G113 WeakPolarHBondContact OD2-CA 3.32Å; G113-L503 WeakPolarHBondContact O-CD1 3.44Å
114	D	95.7	Very high	96.9	Very high	31 Å²	31	8.7 Å²	8.7	17%	0.166	5%	0.052	C	C	.	.	S	Bend	trans	-92.6	4.6	-175.8	75.1	36.2	0	0	0	114.5	D110 N112 R116 S511	D110-D114 PolarHBondContact OD1-N 2.8Å; D110-D114 VanDerWaalsContact OD1-N 3.13Å; D110-D114 PolarHBondContact OD2-N 3.32Å; N112-D114 VanDerWaalsContact CG-OD2 3.28Å; N112-D114 PolarHBondContact ND2-OD2 2.82Å; N112-D114 VanDerWaalsContact OD1-CB 3.24Å; N112-D114 WeakPolarHBondContact OD1-CB 3.17Å; N112-D114 PolarHBondContact OD1-N 3.38Å; N112-D114 PolarHBondContact OD1-OD2 2.61Å; D114-R116 VanDerWaalsContact C-N 3.33Å; D114-R116 PolarHBondContact O-N 2.82Å; D114-R116 WeakPolarHBondContact OD1-CB 3.33Å; D114-R116 WeakPolarHBondContact OD1-CG 3.48Å; D114-R116 IonicContact OD1-CZ 2.64Å; D114-R116 PolarHBondContact OD1-N 3.1Å; D114-R116 IonicContact OD1-NE 3.32Å; D114-R116 PolarHBondContact OD1-NE 2.83Å; D114-R116 IonicContact OD1-NH2 3.49Å; D114-R116 IonicContact OD2-CZ 3.27Å; D114-R116 IonicContact OD2-NE 3.22Å; D114-R116 PolarHBondContact OD2-NE 3.27Å; D114-R116 IonicContact OD2-NH2 3.84Å; D114-R116 PolarHBondContact OD2-NH2 3.18Å; D114-S511 WeakPolarHBondContact O-CB 3.36Å; D114-S511 PolarHBondContact O-OG 2.8Å
115	S	95.2	Very high	96.7	Very high	5 Å²	5	13.1 Å²	13.1	4%	0.035	8%	0.084	C	C	.	.	S	Bend	trans	59.9	36.1	-179.2	-56.6	0	0	0	0	114.2	D110 R144 N501 P516	D110-S115 VanDerWaalsContact OD2-CA 3.24Å; D110-S115 WeakPolarHBondContact OD2-CA 3.41Å; D110-S115 PolarHBondContact OD2-N 3.27Å; S115-R144 PolarHBondContact O-NH2 2.65Å; S115-N501 PolarHBondContact OG-ND2 3.31Å; S115-P516 WeakPolarHBondContact O-CB 3.35Å
116	R	95.4	Very high	96.4	Very high	40 Å²	40	15.5 Å²	15.5	15%	0.151	10%	0.1	C	C	.	.	S	Bend	trans	-120.2	160	166.7	-65.5	168.9	-74.1	179.3	-7.5	110.1	D114 D118 G138 L139 S140 R144	D114-R116 VanDerWaalsContact C-N 3.33Å; D114-R116 PolarHBondContact O-N 2.82Å; D114-R116 WeakPolarHBondContact OD1-CB 3.33Å; D114-R116 WeakPolarHBondContact OD1-CG 3.48Å; D114-R116 IonicContact OD1-CZ 2.64Å; D114-R116 PolarHBondContact OD1-N 3.1Å; D114-R116 IonicContact OD1-NE 3.32Å; D114-R116 PolarHBondContact OD1-NE 2.83Å; D114-R116 IonicContact OD1-NH2 3.49Å; D114-R116 IonicContact OD2-CZ 3.27Å; D114-R116 IonicContact OD2-NE 3.22Å; D114-R116 PolarHBondContact OD2-NE 3.27Å; D114-R116 IonicContact OD2-NH2 3.84Å; D114-R116 PolarHBondContact OD2-NH2 3.18Å; R116-D118 PolarHBondContact O-N 2.94Å; R116-G138 PolarHBondContact NH1-O 2.87Å; R116-G138 VanDerWaalsContact NH1-O 3.17Å; R116-L139 WeakPolarHBondContact CD-O 3.41Å; R116-S140 VanDerWaalsContact NH1-CA 3.29Å; R116-R144 VanDerWaalsContact CG-NH2 3.3Å
117	I	96.4	Very high	96	Very high	9 Å²	9	17.7 Å²	17.7	5%	0.046	11%	0.111	C	C	.	.			trans	-72.6	124.5	172.2	-51.3	-54	0	0	0	108.6	T45 D46 L47 T108 L119 G138 F147 L519	T45-I117 HydrophobicContact CG2-CG1 4.42Å; T45-I117 HydrophobicContact CG2-CG2 4.06Å; T45-I117 WeakPolarHBondContact OG1-CD1 3.29Å; T45-I117 WeakPolarHBondContact OG1-CG1 3.35Å; D46-I117 WeakPolarHBondContact O-CG1 3.45Å; L47-I117 HydrophobicContact CD2-CB 4.22Å; L47-I117 HydrophobicContact CD2-CG1 4.46Å; L47-I117 HydrophobicContact CD2-CG2 4.11Å; T108-I117 HydrophobicContact CG2-CG2 4.11Å; I117-L119 HydrophobicContact CG2-CD2 4.46Å; I117-G138 WeakPolarHBondContact O-CA 2.9Å; I117-F147 VanDerWaalsContact O-CE1 3.28Å; I117-F147 WeakPolarHBondContact O-CE1 3.19Å; I117-L519 HydrophobicContact CD1-CB 3.81Å; I117-L519 HydrophobicContact CD1-CD1 3.4Å; I117-L519 HydrophobicContact CD1-CG 4.2Å
118	D	97.8	Very high	95.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	164.7	162.9	-59	-32.7	0	0	0	109.9	T108 S109 F111 R116 A136 Y137 G138	T108-D118 WeakPolarHBondContact CA-O 3.39Å; S109-D118 PolarHBondContact N-O 3.04Å; S109-D118 CarbonylContact O-C 3.58Å; S109-D118 WeakPolarHBondContact O-CA 3.45Å; S109-D118 VanDerWaalsContact O-CB 3.24Å; S109-D118 WeakPolarHBondContact O-CB 2.96Å; S109-D118 PolarHBondContact O-N 3.3Å; F111-D118 HydrophobicContact CD2-CB 3.75Å; F111-D118 HydrophobicContact CE2-CB 4.45Å; F111-D118 PolarHBondContact N-OD2 3.18Å; R116-D118 PolarHBondContact O-N 2.94Å; D118-A136 WeakPolarHBondContact CA-O 2.99Å; D118-Y137 WeakPolarHBondContact OD1-CA 3.39Å; D118-Y137 WeakPolarHBondContact OD2-CD1 3.33Å; D118-G138 PolarHBondContact OD1-N 3.04Å
119	L	98.1	Very high	95.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131	175.5	-50.4	178.8	0	0	0	111.5	I56 L65 I94 I95 V106 A107 T108 I117 L121 V135 A136 F147	I56-L119 HydrophobicContact CD1-CD2 3.69Å; L65-L119 HydrophobicContact CD1-CD1 4.24Å; I94-L119 HydrophobicContact CD1-CD1 4.2Å; I95-L119 HydrophobicContact CG1-CD1 4.29Å; V106-L119 HydrophobicContact CG1-CD2 4.22Å; A107-L119 WeakPolarHBondContact O-CA 3.4Å; T108-L119 HydrophobicContact CG2-CD2 3.77Å; I117-L119 HydrophobicContact CG2-CD2 4.46Å; L119-L121 HydrophobicContact CB-CD2 3.75Å; L119-L121 HydrophobicContact CB-CG 4.14Å; L119-L121 HydrophobicContact CD1-CD2 4.15Å; L119-V135 CarbonylContact O-C 3.52Å; L119-V135 WeakPolarHBondContact O-CA 3.48Å; L119-A136 HydrophobicContact CB-CB 4.34Å; L119-A136 PolarHBondContact N-O 3.25Å; L119-A136 PolarHBondContact O-N 3.33Å; L119-F147 HydrophobicContact CD1-CD1 4.11Å; L119-F147 HydrophobicContact CD1-CD2 3.98Å; L119-F147 HydrophobicContact CD1-CE1 3.94Å; L119-F147 HydrophobicContact CD1-CE2 3.83Å; L119-F147 HydrophobicContact CD1-CG 4.12Å; L119-F147 HydrophobicContact CD1-CZ 3.79Å; L119-F147 HydrophobicContact CD2-CE1 3.86Å; L119-F147 HydrophobicContact CD2-CZ 3.75Å; L119-F147 HydrophobicContact CG-CD1 3.83Å; L119-F147 HydrophobicContact CG-CE1 3.45Å; L119-F147 VanDerWaalsContact CG-CE1 3.45Å; L119-F147 HydrophobicContact CG-CE2 4.23Å; L119-F147 HydrophobicContact CG-CG 4.36Å; L119-F147 HydrophobicContact CG-CZ 3.66Å
120	L	98.2	Very high	95.2	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	117	158.7	-169.3	76	0	0	0	108.6	V106 A107 F111 V133 Y134 V135 L153 P160 V162 V173	V106-L120 WeakPolarHBondContact CA-O 3.46Å; A107-L120 HydrophobicContact CB-CB 4.22Å; A107-L120 PolarHBondContact N-O 3.46Å; A107-L120 PolarHBondContact O-N 3.44Å; F111-L120 HydrophobicContact CE2-CB 3.93Å; F111-L120 HydrophobicContact CZ-CB 3.79Å; F111-L120 HydrophobicContact CZ-CD1 4.32Å; F111-L120 HydrophobicContact CZ-CG 4.47Å; L120-V133 HydrophobicContact CD1-CG1 3.45Å; L120-V133 VanDerWaalsContact CD1-CG1 3.45Å; L120-V133 HydrophobicContact CD2-CG1 4.42Å; L120-V133 HydrophobicContact CG-CG1 3.9Å; L120-Y134 WeakPolarHBondContact CA-O 3.48Å; L120-V135 HydrophobicContact CD1-CG2 3.92Å; L120-L153 HydrophobicContact CD1-CD2 4.46Å; L120-P160 HydrophobicContact CD2-CG 4.1Å; L120-V162 HydrophobicContact CD2-CG2 3.75Å; L120-V173 HydrophobicContact CD1-CG2 3.75Å; L120-V173 HydrophobicContact CD2-CG1 4.29Å; L120-V173 HydrophobicContact CD2-CG2 4.24Å
121	L	98.3	Very high	95.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.2	-176.8	-54.2	179.3	0	0	0	109.3	L65 I95 L99 V106 L119 V133 Y134 A136 P150	L65-L121 HydrophobicContact CD1-CD2 3.55Å; I95-L121 HydrophobicContact CG1-CD1 4.46Å; L99-L121 HydrophobicContact CD1-CB 4.44Å; L99-L121 HydrophobicContact CD1-CD1 3.94Å; V106-L121 HydrophobicContact CG1-CD2 4.21Å; V106-L121 HydrophobicContact CG2-CD2 4.04Å; L119-L121 HydrophobicContact CB-CD2 3.75Å; L119-L121 HydrophobicContact CB-CG 4.14Å; L119-L121 HydrophobicContact CD1-CD2 4.15Å; L121-V133 CarbonylContact O-C 3.14Å; L121-V133 WeakPolarHBondContact O-CA 3.47Å; L121-Y134 PolarHBondContact N-O 2.95Å; L121-Y134 PolarHBondContact O-N 3.25Å; L121-A136 HydrophobicContact CD1-CB 4.13Å; L121-P150 HydrophobicContact CD1-CB 4.15Å; L121-P150 HydrophobicContact CD1-CG 3.9Å
122	V	97.6	Very high	95.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.9	176.7	-176.4	0	0	0	0	107.5	R104 G105 F131 V133 Q159	R104-V122 WeakPolarHBondContact CA-O 3.32Å; R104-V122 PolarHBondContact N-O 2.8Å; G105-V122 PolarHBondContact N-O 3.1Å; G105-V122 VanDerWaalsContact N-O 3.15Å; G105-V122 PolarHBondContact O-N 2.81Å; V122-F131 HydrophobicContact CG1-CB 3.62Å; V122-F131 HydrophobicContact CG1-CD1 4.03Å; V122-F131 HydrophobicContact CG1-CG 3.81Å; V122-V133 HydrophobicContact CG2-CG2 4.35Å; V122-Q159 HydrophobicContact CG1-CB 4.48Å; V122-Q159 HydrophobicContact CG1-CG 4.47Å; V122-Q159 HydrophobicContact CG2-CG 4.07Å
123	T	97.5	Very high	95.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.2	-177.8	71	0	0	0	0	111.4	L99 P102 V103 F131 D132 Y134	L99-T123 HydrophobicContact CB-CG2 4.36Å; L99-T123 HydrophobicContact CD1-CG2 3.8Å; L99-T123 HydrophobicContact CD2-CG2 4.38Å; L99-T123 HydrophobicContact CG-CG2 4.41Å; P102-T123 VanDerWaalsContact O-CA 3.22Å; P102-T123 WeakPolarHBondContact O-CA 3.4Å; P102-T123 WeakPolarHBondContact O-CB 3.16Å; V103-T123 HydrophobicContact CG2-CG2 4.45Å; T123-F131 CarbonylContact O-C 3.49Å; T123-F131 WeakPolarHBondContact O-CA 3.29Å; T123-F131 WeakPolarHBondContact O-CB 3.49Å; T123-D132 PolarHBondContact N-O 3.04Å; T123-D132 PolarHBondContact O-N 2.95Å; T123-D132 WeakPolarHBondContact OG1-CB 3.41Å; T123-D132 PolarHBondContact OG1-O 3.12Å; T123-Y134 HydrophobicContact CG2-CD2 4.14Å; T123-Y134 HydrophobicContact CG2-CE2 4.17Å
124	G	95.7	Very high	95.3	Very high	1 Å²	1	22 Å²	22	1%	0.01	14%	0.139	C	C	.	.			trans	-171.7	153.4	-174.8	0	0	0	0	0	113.1	P102	P102-G124 PolarHBondContact O-N 3.47Å; P102-G124 VanDerWaalsContact O-N 3.13Å
125	S	92.9	Very high	95.5	Very high	96 Å²	96	20.7 Å²	20.7	67%	0.671	13%	0.132	S	C	*	.	S	Bend	trans	-94.2	-12.2	177	-52.7	0	0	0	0	112.9
126	S	90.5	Very high	95.6	Very high	55 Å²	55	20.4 Å²	20.4	39%	0.385	13%	0.13	S	C	.	.	S	Bend	trans	-141.3	155.1	179.1	90	0	0	0	0	110.9	G128 G129 F131	S126-G128 PolarHBondContact O-N 3.28Å; S126-G129 PolarHBondContact O-N 3.39Å; S126-G129 PolarHBondContact OG-O 2.85Å; S126-G129 VanDerWaalsContact OG-O 3.05Å; S126-F131 WeakPolarHBondContact O-CE1 3.34Å
127	D	87.5	Confident	95.8	Very high	57 Å²	57	19.9 Å²	19.9	31%	0.305	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.4	-177.8	-63.2	4	0	0	0	113.1	R104 F131 Q375 L381	R104-D127 IonicContact CZ-OD1 3.23Å; R104-D127 VanDerWaalsContact CZ-OD1 3.23Å; R104-D127 IonicContact NH1-OD1 3.3Å; R104-D127 PolarHBondContact NH1-OD1 2.73Å; R104-D127 VanDerWaalsContact NH2-CG 3.31Å; R104-D127 IonicContact NH2-OD1 2.6Å; R104-D127 PolarHBondContact NH2-OD1 2.89Å; R104-D127 IonicContact NH2-OD2 2.82Å; D127-F131 WeakPolarHBondContact O-CZ 3.07Å; D127-Q375 PolarHBondContact OD2-OE1 3.33Å; D127-L381 HydrophobicContact CB-CD2 4.19Å
128	G	86.9	Confident	95.8	Very high	26 Å²	26	19.8 Å²	19.8	27%	0.268	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	7.6	-177.5	0	0	0	0	0	114.8	S126	S126-G128 PolarHBondContact O-N 3.28Å
129	G	89.3	Confident	95.8	Very high	14 Å²	14	22.5 Å²	22.5	14%	0.144	14%	0.144	C	C	.	.			trans	77	-165.9	-178.2	0	0	0	0	0	114.5	S126 F131	S126-G129 PolarHBondContact O-N 3.39Å; S126-G129 PolarHBondContact OG-O 2.85Å; S126-G129 VanDerWaalsContact OG-O 3.05Å; G129-F131 VanDerWaalsContact CA-CE2 3.49Å; G129-F131 VanDerWaalsContact N-CZ 3.29Å
130	P	96.1	Very high	95.6	Very high	81 Å²	81	25.8 Å²	25.8	53%	0.526	17%	0.166	S	C	.	.			cis	-65.8	164.3	-6.5	32.7	-37.3	0	0	0	111.6	T155 F156	P130-T155 HydrophobicContact CB-CG2 3.79Å; P130-T155 HydrophobicContact CG-CG2 4.11Å; P130-F156 CarbonylContact C-O 3.51Å; P130-F156 VanDerWaalsContact CA-O 3.31Å; P130-F156 WeakPolarHBondContact CA-O 3.45Å; P130-F156 VanDerWaalsContact CB-O 3.27Å; P130-F156 WeakPolarHBondContact CB-O 3.36Å
131	F	97.5	Very high	95.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.6	-174.2	-59.2	-74	0	0	0	112.2	R104 V122 T123 S126 D127 G129 T155 F156 L381	R104-F131 HydrophobicContact CB-CD1 4.46Å; R104-F131 HydrophobicContact CB-CE1 4.36Å; R104-F131 HydrophobicContact CG-CD1 4.41Å; R104-F131 HydrophobicContact CG-CE1 4.29Å; V122-F131 HydrophobicContact CG1-CB 3.62Å; V122-F131 HydrophobicContact CG1-CD1 4.03Å; V122-F131 HydrophobicContact CG1-CG 3.81Å; T123-F131 CarbonylContact O-C 3.49Å; T123-F131 WeakPolarHBondContact O-CA 3.29Å; T123-F131 WeakPolarHBondContact O-CB 3.49Å; S126-F131 WeakPolarHBondContact O-CE1 3.34Å; D127-F131 WeakPolarHBondContact O-CZ 3.07Å; G129-F131 VanDerWaalsContact CA-CE2 3.49Å; G129-F131 VanDerWaalsContact N-CZ 3.29Å; F131-T155 CarbonylContact O-C 3.48Å; F131-T155 VanDerWaalsContact O-CA 3.3Å; F131-T155 WeakPolarHBondContact O-CA 3.4Å; F131-F156 PolarHBondContact N-O 2.76Å; F131-F156 PolarHBondContact O-N 2.72Å; F131-L381 HydrophobicContact CE1-CD1 3.8Å; F131-L381 HydrophobicContact CE2-CD1 4.38Å; F131-L381 HydrophobicContact CZ-CD1 3.65Å
132	D	98.4	Very high	95	Very high	19 Å²	19	37 Å²	37	10%	0.102	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.7	171.9	-62.9	-28.6	0	0	0	108.5	K101 T123 Y134 F152 T155	K101-D132 WeakPolarHBondContact CD-OD2 3.45Å; K101-D132 WeakPolarHBondContact CE-OD2 3.37Å; K101-D132 IonicContact NZ-OD1 3.93Å; K101-D132 IonicContact NZ-OD2 2.67Å; K101-D132 PolarHBondContact NZ-OD2 3.45Å; T123-D132 PolarHBondContact N-O 3.04Å; T123-D132 PolarHBondContact O-N 2.95Å; T123-D132 WeakPolarHBondContact OG1-CB 3.41Å; T123-D132 PolarHBondContact OG1-O 3.12Å; D132-Y134 HydrophobicContact CB-CE2 3.73Å; D132-F152 HydrophobicContact CB-CD2 4.48Å; D132-F152 HydrophobicContact CB-CE2 3.89Å; D132-T155 WeakPolarHBondContact OD1-CB 3.47Å; D132-T155 WeakPolarHBondContact OD1-CG2 3.18Å; D132-T155 PolarHBondContact OD1-OG1 2.91Å
133	V	98.5	Very high	94.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.5	-174.6	178	0	0	0	0	110	L120 L121 V122 L153 D154 F156 P160	L120-V133 HydrophobicContact CD1-CG1 3.45Å; L120-V133 VanDerWaalsContact CD1-CG1 3.45Å; L120-V133 HydrophobicContact CD2-CG1 4.42Å; L120-V133 HydrophobicContact CG-CG1 3.9Å; L121-V133 CarbonylContact O-C 3.14Å; L121-V133 WeakPolarHBondContact O-CA 3.47Å; V122-V133 HydrophobicContact CG2-CG2 4.35Å; V133-L153 HydrophobicContact CG1-CB 4.42Å; V133-L153 HydrophobicContact CG1-CD2 4.12Å; V133-L153 WeakPolarHBondContact O-CB 3.17Å; V133-L153 PolarHBondContact O-N 2.76Å; V133-D154 PolarHBondContact N-O 3.17Å; V133-F156 HydrophobicContact CB-CD2 3.81Å; V133-F156 HydrophobicContact CB-CE2 3.87Å; V133-F156 HydrophobicContact CG1-CE2 4.3Å; V133-F156 HydrophobicContact CG2-CB 4.48Å; V133-F156 HydrophobicContact CG2-CD2 3.41Å; V133-F156 VanDerWaalsContact CG2-CD2 3.41Å; V133-F156 HydrophobicContact CG2-CE2 3.93Å; V133-F156 HydrophobicContact CG2-CG 4.21Å; V133-P160 HydrophobicContact CG1-CG 4.43Å; V133-P160 HydrophobicContact CG2-CG 4.04Å
134	Y	98.7	Very high	94.6	Very high	26 Å²	26	41.9 Å²	41.9	10%	0.102	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.5	-179.7	-58	-106.9	0	0	0	110.5	L99 P100 L120 L121 T123 D132 P150 K151 F152	L99-Y134 HydrophobicContact CD2-CD1 3.86Å; L99-Y134 HydrophobicContact CD2-CD2 3.76Å; L99-Y134 HydrophobicContact CD2-CE1 4.06Å; L99-Y134 HydrophobicContact CD2-CE2 3.96Å; L99-Y134 HydrophobicContact CD2-CG 3.74Å; P100-Y134 VanDerWaalsContact CG-OH 3.28Å; P100-Y134 WeakPolarHBondContact CG-OH 3.05Å; L120-Y134 WeakPolarHBondContact CA-O 3.48Å; L121-Y134 PolarHBondContact N-O 2.95Å; L121-Y134 PolarHBondContact O-N 3.25Å; T123-Y134 HydrophobicContact CG2-CD2 4.14Å; T123-Y134 HydrophobicContact CG2-CE2 4.17Å; D132-Y134 HydrophobicContact CB-CE2 3.73Å; Y134-P150 HydrophobicContact CD1-CB 4.21Å; Y134-P150 HydrophobicContact CG-CB 4.34Å; Y134-K151 CarbonylContact C-O 3.51Å; Y134-K151 WeakPolarHBondContact CA-O 3.3Å; Y134-F152 VanDerWaalsContact CD1-CA 3.42Å; Y134-F152 HydrophobicContact CD1-CB 3.85Å; Y134-F152 HydrophobicContact CD1-CD2 4.3Å; Y134-F152 HydrophobicContact CE1-CB 3.62Å; Y134-F152 AromaticContact CE1-CD2 3.77Å; Y134-F152 HydrophobicContact CE1-CD2 3.77Å; Y134-F152 HydrophobicContact CE1-CG 4.18Å; Y134-F152 HydrophobicContact CE2-CD2 4.1Å; Y134-F152 AromaticContact CZ-CD2 3.64Å
135	V	98.5	Very high	94.4	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.3	170.2	-177.7	0	0	0	0	109.1	F111 L119 L120 Y137 K151 L153 L190	F111-V135 HydrophobicContact CB-CG1 4.33Å; F111-V135 HydrophobicContact CD2-CG1 4.01Å; F111-V135 HydrophobicContact CG-CG1 4.34Å; L119-V135 CarbonylContact O-C 3.52Å; L119-V135 WeakPolarHBondContact O-CA 3.48Å; L120-V135 HydrophobicContact CD1-CG2 3.92Å; V135-Y137 HydrophobicContact CB-CE2 4.39Å; V135-Y137 HydrophobicContact CG1-CD1 4.21Å; V135-Y137 HydrophobicContact CG1-CD2 4.37Å; V135-Y137 HydrophobicContact CG1-CE1 3.81Å; V135-Y137 HydrophobicContact CG1-CE2 3.96Å; V135-Y137 HydrophobicContact CG1-CG 4.5Å; V135-K151 PolarHBondContact N-O 3.11Å; V135-K151 PolarHBondContact O-N 3.1Å; V135-L153 HydrophobicContact CG2-CD2 4.45Å; V135-L190 HydrophobicContact CG2-CD1 4.25Å
136	A	98.5	Very high	94.5	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.9	172.9	0	0	0	0	0	109	I95 D118 L119 L121 F147 P150	I95-A136 HydrophobicContact CD1-CB 4.14Å; D118-A136 WeakPolarHBondContact CA-O 2.99Å; L119-A136 HydrophobicContact CB-CB 4.34Å; L119-A136 PolarHBondContact N-O 3.25Å; L119-A136 PolarHBondContact O-N 3.33Å; L121-A136 HydrophobicContact CD1-CB 4.13Å; A136-F147 HydrophobicContact CB-CB 4.15Å; A136-P150 HydrophobicContact CB-CB 4.39Å; A136-P150 HydrophobicContact CB-CG 4.16Å
137	Y	98.1	Very high	94.9	Very high	29 Å²	29	41.4 Å²	41.4	11%	0.114	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-82.8	141.3	-173.7	-64	-81.6	0	0	0	112.2	F111 N112 D118 V135 F147 D148 K151 L190	F111-Y137 HydrophobicContact CB-CE1 4.39Å; N112-Y137 HydrophobicContact CB-CD1 4.09Å; N112-Y137 HydrophobicContact CB-CE1 3.81Å; N112-Y137 WeakPolarHBondContact ND2-CD1 3.37Å; D118-Y137 WeakPolarHBondContact OD1-CA 3.39Å; D118-Y137 WeakPolarHBondContact OD2-CD1 3.33Å; V135-Y137 HydrophobicContact CB-CE2 4.39Å; V135-Y137 HydrophobicContact CG1-CD1 4.21Å; V135-Y137 HydrophobicContact CG1-CD2 4.37Å; V135-Y137 HydrophobicContact CG1-CE1 3.81Å; V135-Y137 HydrophobicContact CG1-CE2 3.96Å; V135-Y137 HydrophobicContact CG1-CG 4.5Å; Y137-F147 CarbonylContact O-C 3.57Å; Y137-F147 VanDerWaalsContact O-CA 3.28Å; Y137-F147 WeakPolarHBondContact O-CA 3.41Å; Y137-D148 PolarHBondContact O-N 2.87Å; Y137-K151 HydrophobicContact CD2-CD 4.45Å; Y137-K151 HydrophobicContact CE2-CD 4Å; Y137-L190 WeakPolarHBondContact OH-CD1 3.06Å
138	G	97.3	Very high	95.4	Very high	6 Å²	6	42.2 Å²	42.2	6%	0.062	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-67.1	139.3	176.7	0	0	0	0	0	113	R116 I117 D118	R116-G138 PolarHBondContact NH1-O 2.87Å; R116-G138 VanDerWaalsContact NH1-O 3.17Å; I117-G138 WeakPolarHBondContact O-CA 2.9Å; D118-G138 PolarHBondContact OD1-N 3.04Å
139	L	96.9	Very high	95.9	Very high	58 Å²	58	45.1 Å²	45.1	30%	0.304	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-87	159.3	176.9	-60.8	-179.7	0	0	0	111.9	R116 N143 R144 K146 D148	R116-L139 WeakPolarHBondContact CD-O 3.41Å; L139-N143 HydrophobicContact CB-CB 3.82Å; L139-N143 HydrophobicContact CD1-CB 4.1Å; L139-R144 WeakPolarHBondContact O-CA 3.49Å; L139-K146 HydrophobicContact CD1-CB 4.05Å; L139-K146 PolarHBondContact N-O 2.69Å; L139-D148 HydrophobicContact CD2-CB 4.07Å
140	S	94.5	Very high	96.3	Very high	68 Å²	68	45.7 Å²	45.7	48%	0.476	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-101.4	170.3	-177.9	45.8	0	0	0	0	112.4	R116 N143 D512	R116-S140 VanDerWaalsContact NH1-CA 3.29Å; S140-N143 PolarHBondContact O-N 2.86Å; S140-D512 WeakPolarHBondContact CB-OD1 3.23Å
141	G	92.5	Very high	96.4	Very high	43 Å²	43	47 Å²	47	44%	0.443	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	63.4	-133.7	172.3	0	0	0	0	0	111.7	N143 R144 D512	G141-N143 PolarHBondContact O-N 3.49Å; G141-N143 VanDerWaalsContact O-N 3.07Å; G141-R144 WeakPolarHBondContact O-CB 3.21Å; G141-R144 PolarHBondContact O-N 3.32Å; G141-R144 VanDerWaalsContact O-N 3.1Å; G141-D512 WeakPolarHBondContact CA-OD1 3.33Å; G141-D512 VanDerWaalsContact N-CG 3.27Å; G141-D512 PolarHBondContact N-OD1 3.37Å; G141-D512 PolarHBondContact N-OD2 2.73Å
142	E	91.1	Very high	96.4	Very high	196 Å²	196	52.2 Å²	52.2	92%	0.916	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-63.4	-13.4	179.3	-60.4	-176.3	170.2	0	0	113.8
143	N	93.6	Very high	96.4	Very high	71 Å²	71	52.4 Å²	52.4	38%	0.38	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-100.6	7.8	177.9	-68.5	-52.1	0	0	0	113.6	L139 S140 G141 G145 K146	L139-N143 HydrophobicContact CB-CB 3.82Å; L139-N143 HydrophobicContact CD1-CB 4.1Å; S140-N143 PolarHBondContact O-N 2.86Å; G141-N143 PolarHBondContact O-N 3.49Å; G141-N143 VanDerWaalsContact O-N 3.07Å; N143-G145 PolarHBondContact O-N 2.77Å; N143-K146 HydrophobicContact CB-CD 4.23Å; N143-K146 VanDerWaalsContact O-CB 3.27Å; N143-K146 WeakPolarHBondContact O-CB 3.28Å; N143-K146 PolarHBondContact O-N 3.3Å; N143-K146 PolarHBondContact OD1-NZ 3.31Å
144	R	92.4	Very high	96.4	Very high	32 Å²	32	53.7 Å²	53.7	12%	0.121	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	134.8	173.6	179.7	175.8	-103.2	-94.1	9.5	110.9	S115 R116 L139 G141 D512	S115-R144 PolarHBondContact O-NH2 2.65Å; R116-R144 VanDerWaalsContact CG-NH2 3.3Å; L139-R144 WeakPolarHBondContact O-CA 3.49Å; G141-R144 WeakPolarHBondContact O-CB 3.21Å; G141-R144 PolarHBondContact O-N 3.32Å; G141-R144 VanDerWaalsContact O-N 3.1Å; R144-D512 IonicContact CZ-OD2 2.55Å; R144-D512 IonicContact NE-OD2 3.18Å; R144-D512 PolarHBondContact NE-OD2 3.43Å; R144-D512 IonicContact NH2-OD2 3.79Å
145	G	92.7	Very high	96.4	Very high	15 Å²	15	54.6 Å²	54.6	16%	0.155	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-0.7	-172.2	0	0	0	0	0	114.8	N143	N143-G145 PolarHBondContact O-N 2.77Å
146	K	95.8	Very high	96.4	Very high	106 Å²	106	54.5 Å²	54.5	46%	0.461	30%	0.295	S	S	.	.			trans	-105.7	166.9	165.4	-56	178.4	-171.6	166.3	0	110.2	L139 N143	L139-K146 HydrophobicContact CD1-CB 4.05Å; L139-K146 PolarHBondContact N-O 2.69Å; N143-K146 HydrophobicContact CB-CD 4.23Å; N143-K146 VanDerWaalsContact O-CB 3.27Å; N143-K146 WeakPolarHBondContact O-CB 3.28Å; N143-K146 PolarHBondContact O-N 3.3Å; N143-K146 PolarHBondContact OD1-NZ 3.31Å
147	F	98.1	Very high	96.3	Very high	21 Å²	21	56.3 Å²	56.3	9%	0.092	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-128.5	149.2	-171.4	-56.5	-86	0	0	0	112.6	L47 I94 I95 I117 L119 A136 Y137	L47-F147 HydrophobicContact CD2-CE2 4.26Å; L47-F147 HydrophobicContact CD2-CZ 3.66Å; I94-F147 HydrophobicContact CB-CD2 4.01Å; I94-F147 HydrophobicContact CB-CE2 4.09Å; I94-F147 HydrophobicContact CD1-CD2 4.26Å; I94-F147 HydrophobicContact CD1-CE2 3.73Å; I94-F147 HydrophobicContact CG1-CE2 4.45Å; I94-F147 HydrophobicContact CG2-CE2 4.43Å; I95-F147 HydrophobicContact CD1-CB 3.95Å; I117-F147 VanDerWaalsContact O-CE1 3.28Å; I117-F147 WeakPolarHBondContact O-CE1 3.19Å; L119-F147 HydrophobicContact CD1-CD1 4.11Å; L119-F147 HydrophobicContact CD1-CD2 3.98Å; L119-F147 HydrophobicContact CD1-CE1 3.94Å; L119-F147 HydrophobicContact CD1-CE2 3.83Å; L119-F147 HydrophobicContact CD1-CG 4.12Å; L119-F147 HydrophobicContact CD1-CZ 3.79Å; L119-F147 HydrophobicContact CD2-CE1 3.86Å; L119-F147 HydrophobicContact CD2-CZ 3.75Å; L119-F147 HydrophobicContact CG-CD1 3.83Å; L119-F147 HydrophobicContact CG-CE1 3.45Å; L119-F147 VanDerWaalsContact CG-CE1 3.45Å; L119-F147 HydrophobicContact CG-CE2 4.23Å; L119-F147 HydrophobicContact CG-CG 4.36Å; L119-F147 HydrophobicContact CG-CZ 3.66Å; A136-F147 HydrophobicContact CB-CB 4.15Å; Y137-F147 CarbonylContact O-C 3.57Å; Y137-F147 VanDerWaalsContact O-CA 3.28Å; Y137-F147 WeakPolarHBondContact O-CA 3.41Å
148	D	97.3	Very high	96.2	Very high	73 Å²	73	55.1 Å²	55.1	39%	0.39	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-71.1	168.9	167.1	-164.3	8.6	0	0	0	110.8	Y137 L139	Y137-D148 PolarHBondContact O-N 2.87Å; L139-D148 HydrophobicContact CD2-CB 4.07Å
149	S	97.5	Very high	96.1	Very high	87 Å²	87	55 Å²	55	61%	0.608	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-57.3	130.5	177.7	-62.5	0	0	0	0	111.1	K151	S149-K151 PolarHBondContact O-N 3.48Å
150	P	98.5	Very high	96.2	Very high	26 Å²	26	52.2 Å²	52.2	17%	0.169	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-56.8	127.9	179.3	-25.9	33.5	0	0	0	112.6	I95 V98 L99 L121 Y134 A136	I95-P150 HydrophobicContact CD1-CG 4.22Å; I95-P150 HydrophobicContact CG2-CG 4.44Å; V98-P150 HydrophobicContact CG2-CG 4.12Å; L99-P150 HydrophobicContact CD2-CB 3.87Å; L99-P150 HydrophobicContact CD2-CG 4.14Å; L99-P150 HydrophobicContact CG-CG 4.5Å; L121-P150 HydrophobicContact CD1-CB 4.15Å; L121-P150 HydrophobicContact CD1-CG 3.9Å; Y134-P150 HydrophobicContact CD1-CB 4.21Å; Y134-P150 HydrophobicContact CG-CB 4.34Å; A136-P150 HydrophobicContact CB-CB 4.39Å; A136-P150 HydrophobicContact CB-CG 4.16Å
151	K	97.8	Very high	96.3	Very high	110 Å²	110	49 Å²	49	48%	0.478	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125	177.1	-60.2	-171.7	-168.9	157.9	0	109.9	Y134 V135 Y137 S149	Y134-K151 CarbonylContact C-O 3.51Å; Y134-K151 WeakPolarHBondContact CA-O 3.3Å; V135-K151 PolarHBondContact N-O 3.11Å; V135-K151 PolarHBondContact O-N 3.1Å; Y137-K151 HydrophobicContact CD2-CD 4.45Å; Y137-K151 HydrophobicContact CE2-CD 4Å; S149-K151 PolarHBondContact O-N 3.48Å
152	F	98.4	Very high	96.6	Very high	109 Å²	109	47.3 Å²	47.3	48%	0.478	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	134.6	177.3	179.9	-106.9	0	0	0	111.2	D132 Y134 D154	D132-F152 HydrophobicContact CB-CD2 4.48Å; D132-F152 HydrophobicContact CB-CE2 3.89Å; Y134-F152 VanDerWaalsContact CD1-CA 3.42Å; Y134-F152 HydrophobicContact CD1-CB 3.85Å; Y134-F152 HydrophobicContact CD1-CD2 4.3Å; Y134-F152 HydrophobicContact CE1-CB 3.62Å; Y134-F152 AromaticContact CE1-CD2 3.77Å; Y134-F152 HydrophobicContact CE1-CD2 3.77Å; Y134-F152 HydrophobicContact CE1-CG 4.18Å; Y134-F152 HydrophobicContact CE2-CD2 4.1Å; Y134-F152 AromaticContact CZ-CD2 3.64Å; F152-D154 WeakPolarHBondContact CE2-O 3.11Å; F152-D154 VanDerWaalsContact CZ-C 3.42Å
153	L	97.6	Very high	96.9	Very high	23 Å²	23	38 Å²	38	12%	0.12	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-60.7	-178.1	-171.2	68.3	0	0	0	111.8	L120 V133 V135 F156 V173 Y184 L190	L120-L153 HydrophobicContact CD1-CD2 4.46Å; V133-L153 HydrophobicContact CG1-CB 4.42Å; V133-L153 HydrophobicContact CG1-CD2 4.12Å; V133-L153 WeakPolarHBondContact O-CB 3.17Å; V133-L153 PolarHBondContact O-N 2.76Å; V135-L153 HydrophobicContact CG2-CD2 4.45Å; L153-F156 HydrophobicContact CD2-CE2 4.29Å; L153-F156 HydrophobicContact CD2-CZ 4.42Å; L153-V173 HydrophobicContact CD2-CB 4.27Å; L153-V173 HydrophobicContact CD2-CG1 4.27Å; L153-V173 HydrophobicContact CD2-CG2 4.21Å; L153-Y184 HydrophobicContact CD1-CD1 3.39Å; L153-Y184 HydrophobicContact CD1-CD2 4.23Å; L153-Y184 HydrophobicContact CD1-CE1 3.53Å; L153-Y184 HydrophobicContact CD1-CE2 4.37Å; L153-Y184 HydrophobicContact CD1-CG 3.74Å; L153-Y184 HydrophobicContact CD2-CD1 4.49Å; L153-Y184 HydrophobicContact CD2-CD2 3.87Å; L153-Y184 HydrophobicContact CD2-CE2 4.23Å; L153-Y184 HydrophobicContact CD2-CG 4Å; L153-Y184 HydrophobicContact CG-CD1 4Å; L153-Y184 HydrophobicContact CG-CD2 3.94Å; L153-Y184 HydrophobicContact CG-CE1 3.91Å; L153-Y184 HydrophobicContact CG-CE2 3.9Å; L153-Y184 HydrophobicContact CG-CG 3.98Å; L153-Y184 PolarHBondContact O-OH 2.82Å; L153-L190 HydrophobicContact CD1-CB 4.29Å; L153-L190 HydrophobicContact CD1-CD1 4.16Å; L153-L190 HydrophobicContact CD1-CD2 4.22Å; L153-L190 HydrophobicContact CD1-CG 4.47Å
154	D	98.4	Very high	97.1	Very high	26 Å²	26	34.6 Å²	34.6	14%	0.139	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	175.9	176.2	-141.3	-29.3	0	0	0	111.4	V133 F152 F156 V177 Y184 K192	V133-D154 PolarHBondContact N-O 3.17Å; F152-D154 WeakPolarHBondContact CE2-O 3.11Å; F152-D154 VanDerWaalsContact CZ-C 3.42Å; D154-F156 HydrophobicContact CB-CD2 4.08Å; D154-F156 HydrophobicContact CB-CE2 3.69Å; D154-F156 HydrophobicContact CB-CZ 4.38Å; D154-V177 HydrophobicContact CB-CG2 4.16Å; D154-Y184 HydrophobicContact CB-CE2 4.05Å; D154-Y184 VanDerWaalsContact CB-OH 3.3Å; D154-Y184 WeakPolarHBondContact CB-OH 3.29Å; D154-Y184 PolarHBondContact OD2-OH 2.84Å; D154-K192 IonicContact OD2-NZ 2.63Å; D154-K192 PolarHBondContact OD2-NZ 3.02Å
155	T	98.4	Very high	97.3	Very high	46 Å²	46	33.1 Å²	33.1	28%	0.282	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	103.9	170.2	-58	0	0	0	0	110.1	P130 F131 D132 V177	P130-T155 HydrophobicContact CB-CG2 3.79Å; P130-T155 HydrophobicContact CG-CG2 4.11Å; F131-T155 CarbonylContact O-C 3.48Å; F131-T155 VanDerWaalsContact O-CA 3.3Å; F131-T155 WeakPolarHBondContact O-CA 3.4Å; D132-T155 WeakPolarHBondContact OD1-CB 3.47Å; D132-T155 WeakPolarHBondContact OD1-CG2 3.18Å; D132-T155 PolarHBondContact OD1-OG1 2.91Å; T155-V177 WeakPolarHBondContact O-CG1 3.4Å
156	F	98.2	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	148.1	-177.2	-70	-104.4	0	0	0	112.3	P130 F131 V133 L153 D154 S158 P160 V173 E176 V177 Y184	P130-F156 CarbonylContact C-O 3.51Å; P130-F156 VanDerWaalsContact CA-O 3.31Å; P130-F156 WeakPolarHBondContact CA-O 3.45Å; P130-F156 VanDerWaalsContact CB-O 3.27Å; P130-F156 WeakPolarHBondContact CB-O 3.36Å; F131-F156 PolarHBondContact N-O 2.76Å; F131-F156 PolarHBondContact O-N 2.72Å; V133-F156 HydrophobicContact CB-CD2 3.81Å; V133-F156 HydrophobicContact CB-CE2 3.87Å; V133-F156 HydrophobicContact CG1-CE2 4.3Å; V133-F156 HydrophobicContact CG2-CB 4.48Å; V133-F156 HydrophobicContact CG2-CD2 3.41Å; V133-F156 VanDerWaalsContact CG2-CD2 3.41Å; V133-F156 HydrophobicContact CG2-CE2 3.93Å; V133-F156 HydrophobicContact CG2-CG 4.21Å; L153-F156 HydrophobicContact CD2-CE2 4.29Å; L153-F156 HydrophobicContact CD2-CZ 4.42Å; D154-F156 HydrophobicContact CB-CD2 4.08Å; D154-F156 HydrophobicContact CB-CE2 3.69Å; D154-F156 HydrophobicContact CB-CZ 4.38Å; F156-S158 WeakPolarHBondContact CB-O 3.24Å; F156-S158 PolarHBondContact O-N 3.43Å; F156-P160 HydrophobicContact CD1-CB 3.91Å; F156-P160 HydrophobicContact CD1-CG 4.41Å; F156-P160 HydrophobicContact CE1-CB 3.89Å; F156-P160 HydrophobicContact CE1-CG 4.48Å; F156-P160 HydrophobicContact CG-CB 4.39Å; F156-P160 HydrophobicContact CG-CG 4.42Å; F156-P160 HydrophobicContact CZ-CB 4.35Å; F156-V173 HydrophobicContact CE1-CG1 4.46Å; F156-V173 HydrophobicContact CZ-CG1 4.03Å; F156-E176 CarbonylContact C-O 3.43Å; F156-E176 VanDerWaalsContact CA-O 3.3Å; F156-E176 WeakPolarHBondContact CA-O 3.18Å; F156-V177 HydrophobicContact CD1-CG2 3.71Å; F156-V177 HydrophobicContact CD2-CG2 4.27Å; F156-V177 HydrophobicContact CE1-CG2 3.92Å; F156-V177 HydrophobicContact CE2-CG2 4.45Å; F156-V177 HydrophobicContact CG-CG2 3.92Å; F156-V177 HydrophobicContact CZ-CG2 4.3Å; F156-Y184 HydrophobicContact CE2-CE2 4.33Å; F156-Y184 AromaticContact CZ-CD2 3.94Å; F156-Y184 HydrophobicContact CZ-CD2 3.94Å; F156-Y184 AromaticContact CZ-CE2 3.8Å; F156-Y184 HydrophobicContact CZ-CE2 3.8Å
157	T	96.6	Very high	97.5	Very high	38 Å²	38	29.5 Å²	29.5	23%	0.233	16%	0.159	C	C	.	.	S	Bend	trans	-59.7	-38.4	174	-56.6	0	0	0	0	111.1	E176	T157-E176 PolarHBondContact N-O 2.81Å; T157-E176 PolarHBondContact OG1-O 2.92Å; T157-E176 PolarHBondContact OG1-OE1 2.92Å; T157-E176 VanDerWaalsContact OG1-OE1 3.11Å
158	S	96.2	Very high	97.4	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.021	17%	0.166	C	C	.	.	S	Bend	trans	-143.8	175.5	-179.8	-163.9	0	0	0	0	110.7	F156 P160 W202 S203 G206	F156-S158 WeakPolarHBondContact CB-O 3.24Å; F156-S158 PolarHBondContact O-N 3.43Å; S158-P160 WeakPolarHBondContact O-CD 3.11Å; S158-W202 VanDerWaalsContact CB-CD1 3.49Å; S158-S203 VanDerWaalsContact CB-O 3.29Å; S158-S203 WeakPolarHBondContact CB-O 3.4Å; S158-S203 PolarHBondContact OG-O 3.39Å; S158-G206 WeakPolarHBondContact OG-CA 3.37Å; S158-G206 PolarHBondContact OG-N 3.35Å
159	Q	96.1	Very high	97.4	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.014	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-62	124.6	177.8	175.8	157.7	7.2	0	0	110.3	V122 S548 C549	V122-Q159 HydrophobicContact CG1-CB 4.48Å; V122-Q159 HydrophobicContact CG1-CG 4.47Å; V122-Q159 HydrophobicContact CG2-CG 4.07Å; Q159-S548 PolarHBondContact NE2-O 2.64Å; Q159-C549 VanDerWaalsContact CD-SG 3.51Å; Q159-C549 HydrophobicContact CG-CB 4.08Å; Q159-C549 PolarHBondContact OE1-SG 3.21Å
160	P	97.7	Very high	97.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-76.8	161.4	-177.4	32.6	-38	0	0	0	112.9	L120 V133 F156 S158 V173 Y174 S548	L120-P160 HydrophobicContact CD2-CG 4.1Å; V133-P160 HydrophobicContact CG1-CG 4.43Å; V133-P160 HydrophobicContact CG2-CG 4.04Å; F156-P160 HydrophobicContact CD1-CB 3.91Å; F156-P160 HydrophobicContact CD1-CG 4.41Å; F156-P160 HydrophobicContact CE1-CB 3.89Å; F156-P160 HydrophobicContact CE1-CG 4.48Å; F156-P160 HydrophobicContact CG-CB 4.39Å; F156-P160 HydrophobicContact CG-CG 4.42Å; F156-P160 HydrophobicContact CZ-CB 4.35Å; S158-P160 WeakPolarHBondContact O-CD 3.11Å; P160-V173 HydrophobicContact CB-CG1 3.58Å; P160-V173 HydrophobicContact CG-CG1 3.77Å; P160-Y174 WeakPolarHBondContact CA-O 3.2Å; P160-Y174 WeakPolarHBondContact CB-O 3.35Å; P160-S548 PolarHBondContact O-OG 3.06Å; P160-S548 VanDerWaalsContact O-OG 3.13Å
161	L	98	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.5	175.7	-179.4	60.1	0	0	0	110.4	C163 V173 Y174 W202 F210 I221 S548	L161-C163 HydrophobicContact CG-CB 4.41Å; L161-V173 WeakPolarHBondContact O-CA 3.23Å; L161-Y174 PolarHBondContact N-O 3.25Å; L161-Y174 PolarHBondContact O-N 2.91Å; L161-W202 HydrophobicContact CB-CH2 4.13Å; L161-W202 HydrophobicContact CB-CZ2 4.27Å; L161-F210 HydrophobicContact CD1-CB 4.25Å; L161-F210 HydrophobicContact CD2-CB 4.05Å; L161-F210 HydrophobicContact CG-CB 4.33Å; L161-I221 HydrophobicContact CD2-CG1 4.49Å; L161-I221 HydrophobicContact CD2-CG2 4.16Å; L161-S548 WeakPolarHBondContact CA-OG 3.5Å
162	V	97.9	Very high	97.4	Very high	8 Å²	8	18.1 Å²	18.1	5%	0.048	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.1	165.4	178.8	0	0	0	0	108.4	A107 F111 L120 A171 D172 P522 S548	A107-V162 HydrophobicContact CB-CG2 3.76Å; F111-V162 HydrophobicContact CE1-CG1 4.23Å; F111-V162 HydrophobicContact CE1-CG2 4.44Å; F111-V162 HydrophobicContact CZ-CG1 4.18Å; F111-V162 HydrophobicContact CZ-CG2 4.03Å; L120-V162 HydrophobicContact CD2-CG2 3.75Å; V162-A171 HydrophobicContact CG1-CB 4.18Å; V162-D172 WeakPolarHBondContact CA-O 3.1Å; V162-P522 HydrophobicContact CG1-CG 4.29Å; V162-S548 PolarHBondContact N-OG 3.39Å
163	C	97.6	Very high	97.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	-177.8	-173	54.9	0	0	0	0	111.3	L161 L165 D172 F210 P522	L161-C163 HydrophobicContact CG-CB 4.41Å; C163-L165 HydrophobicContact CB-CD2 4.49Å; C163-D172 PolarHBondContact N-O 3.4Å; C163-D172 WeakPolarHBondContact O-CA 3.42Å; C163-D172 WeakPolarHBondContact O-CB 3.45Å; C163-D172 PolarHBondContact O-N 3.27Å; C163-F210 HydrophobicContact CB-CB 4.07Å; C163-F210 HydrophobicContact CB-CD1 3.74Å; C163-F210 HydrophobicContact CB-CD2 3.82Å; C163-F210 HydrophobicContact CB-CE1 4.01Å; C163-F210 HydrophobicContact CB-CE2 4.09Å; C163-F210 HydrophobicContact CB-CG 3.6Å; C163-F210 HydrophobicContact CB-CZ 4.16Å; C163-P522 VanDerWaalsContact C-CG 3.46Å; C163-P522 WeakPolarHBondContact O-CG 3.14Å
164	D	97.1	Very high	97.4	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.067	C	C	.	.			trans	-134.9	87.6	170.5	175.2	6.1	0	0	0	108.1	N166 S167 D168 M169 F210 P522 P577	D164-N166 PolarHBondContact OD1-OD1 2.75Å; D164-N166 VanDerWaalsContact OD1-OD1 3.07Å; D164-S167 WeakPolarHBondContact OD1-CA 3.31Å; D164-S167 PolarHBondContact OD1-N 3.37Å; D164-S167 WeakPolarHBondContact OD2-CA 3.37Å; D164-D168 PolarHBondContact OD1-N 3.23Å; D164-D168 PolarHBondContact OD2-N 3.1Å; D164-M169 VanDerWaalsContact OD2-CA 3.29Å; D164-M169 WeakPolarHBondContact OD2-CA 3.35Å; D164-M169 PolarHBondContact OD2-N 2.97Å; D164-F210 HydrophobicContact CB-CE1 4.37Å; D164-F210 VanDerWaalsContact N-CE1 3.31Å; D164-F210 VanDerWaalsContact O-CZ 3.28Å; D164-F210 WeakPolarHBondContact O-CZ 3.41Å; D164-P522 HydrophobicContact CB-CG 4.29Å; D164-P577 HydrophobicContact CB-CG 4.37Å
165	L	97.2	Very high	97.4	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	6%	0.06	C	C	.	.	S	Bend	trans	-79.4	-32.4	-172.3	-63	178	0	0	0	112.1	C163 D172 Y174 A183 I185 F210 I221 R238 G244 P247	C163-L165 HydrophobicContact CB-CD2 4.49Å; L165-D172 WeakPolarHBondContact CA-OD2 3.07Å; L165-D172 WeakPolarHBondContact CB-OD2 3.37Å; L165-D172 PolarHBondContact N-OD2 3.39Å; L165-Y174 HydrophobicContact CD1-CD2 4.38Å; L165-A183 HydrophobicContact CD1-CB 3.6Å; L165-I185 HydrophobicContact CB-CD1 4.37Å; L165-I185 HydrophobicContact CD1-CD1 4.44Å; L165-F210 HydrophobicContact CD2-CE2 4.21Å; L165-I221 HydrophobicContact CD2-CD1 3.99Å; L165-R238 PolarHBondContact O-NH2 3.45Å; L165-G244 PolarHBondContact O-N 3.11Å; L165-P247 HydrophobicContact CD1-CG 4.46Å; L165-P247 HydrophobicContact CD2-CG 4.11Å
166	N	96.6	Very high	97.4	Very high	42 Å²	42	9 Å²	9	23%	0.225	5%	0.05	C	C	.	.	S	Bend	trans	-91.8	-3.6	178.8	70.9	-12.9	0	0	0	113.4	D164 D168 I185 I243	D164-N166 PolarHBondContact OD1-OD1 2.75Å; D164-N166 VanDerWaalsContact OD1-OD1 3.07Å; N166-D168 VanDerWaalsContact C-N 3.34Å; N166-D168 VanDerWaalsContact ND2-CG 3.3Å; N166-D168 PolarHBondContact ND2-OD2 3.01Å; N166-D168 PolarHBondContact O-N 2.93Å; N166-D168 VanDerWaalsContact OD1-CG 3.23Å; N166-D168 PolarHBondContact OD1-OD1 3.16Å; N166-D168 VanDerWaalsContact OD1-OD1 3.13Å; N166-I185 HydrophobicContact CB-CG2 4.4Å; N166-I185 VanDerWaalsContact ND2-CG2 3.33Å; N166-I185 WeakPolarHBondContact ND2-CG2 3.45Å; N166-I243 VanDerWaalsContact O-CG2 3.27Å; N166-I243 WeakPolarHBondContact O-CG2 3.33Å
167	S	96.7	Very high	97.4	Very high	3 Å²	3	9.5 Å²	9.5	2%	0.021	5%	0.053	C	C	.	.	S	Bend	trans	60.6	41.6	173.8	-53	0	0	0	0	112.5	D164 P577 P578 R584	D164-S167 WeakPolarHBondContact OD1-CA 3.31Å; D164-S167 PolarHBondContact OD1-N 3.37Å; D164-S167 WeakPolarHBondContact OD2-CA 3.37Å; S167-P577 WeakPolarHBondContact OG-CB 3.4Å; S167-P578 WeakPolarHBondContact CB-O 3.48Å; S167-P578 PolarHBondContact OG-O 2.9Å; S167-R584 PolarHBondContact O-NH1 3.28Å
168	D	96.4	Very high	97.3	Very high	45 Å²	45	12.6 Å²	12.6	24%	0.241	8%	0.076	C	C	.	.	S	Bend	trans	-103.9	4	176	71.8	5.3	0	0	0	113.4	D164 N166 I170	D164-D168 PolarHBondContact OD1-N 3.23Å; D164-D168 PolarHBondContact OD2-N 3.1Å; N166-D168 VanDerWaalsContact C-N 3.34Å; N166-D168 VanDerWaalsContact ND2-CG 3.3Å; N166-D168 PolarHBondContact ND2-OD2 3.01Å; N166-D168 PolarHBondContact O-N 2.93Å; N166-D168 VanDerWaalsContact OD1-CG 3.23Å; N166-D168 PolarHBondContact OD1-OD1 3.16Å; N166-D168 VanDerWaalsContact OD1-OD1 3.13Å; D168-I170 PolarHBondContact O-N 3.3Å; D168-I170 WeakPolarHBondContact OD1-CA 3.38Å; D168-I170 WeakPolarHBondContact OD1-CB 3.09Å; D168-I170 PolarHBondContact OD1-N 2.99Å
169	M	96.6	Very high	97.3	Very high	7 Å²	7	13.9 Å²	13.9	3%	0.034	9%	0.09	C	C	.	.	S	Bend	trans	65.5	15.7	-176.5	-53.9	-71.9	-70.9	0	0	114.4	D164 N501 L503 V521 I524 I576 P601 L604	D164-M169 VanDerWaalsContact OD2-CA 3.29Å; D164-M169 WeakPolarHBondContact OD2-CA 3.35Å; D164-M169 PolarHBondContact OD2-N 2.97Å; M169-N501 HydrophobicContact CB-CB 4.46Å; M169-N501 WeakPolarHBondContact CB-O 3.44Å; M169-N501 WeakPolarHBondContact CE-O 3.43Å; M169-N501 WeakPolarHBondContact CG-O 3.19Å; M169-L503 HydrophobicContact CB-CD2 4.33Å; M169-V521 HydrophobicContact CE-CG1 3.64Å; M169-V521 HydrophobicContact SD-CG1 4.44Å; M169-I524 HydrophobicContact CE-CD1 4.02Å; M169-I524 HydrophobicContact SD-CD1 4.45Å; M169-I576 HydrophobicContact CE-CB 4.22Å; M169-I576 HydrophobicContact CE-CD1 4.2Å; M169-I576 HydrophobicContact CE-CG2 4.19Å; M169-I576 HydrophobicContact CG-CD1 4.34Å; M169-I576 HydrophobicContact SD-CB 3.89Å; M169-I576 HydrophobicContact SD-CD1 3.81Å; M169-I576 HydrophobicContact SD-CG1 4.22Å; M169-P601 HydrophobicContact CE-CG 4.1Å; M169-L604 HydrophobicContact CB-CD1 4.42Å; M169-L604 HydrophobicContact CG-CD1 3.91Å; M169-L604 HydrophobicContact CG-CD2 3.53Å; M169-L604 HydrophobicContact CG-CG 4.41Å
170	I	97.7	Very high	97.3	Very high	23 Å²	23	16.9 Å²	16.9	12%	0.118	10%	0.104	C	C	.	.	S	Bend	trans	-102.5	140.4	167.9	-51	175.3	0	0	0	107.3	D110 F111 D168 L503	D110-I170 WeakPolarHBondContact O-CG2 3.19Å; F111-I170 WeakPolarHBondContact O-CG2 3.42Å; D168-I170 PolarHBondContact O-N 3.3Å; D168-I170 WeakPolarHBondContact OD1-CA 3.38Å; D168-I170 WeakPolarHBondContact OD1-CB 3.09Å; D168-I170 PolarHBondContact OD1-N 2.99Å; I170-L503 HydrophobicContact CG1-CD1 3.97Å; I170-L503 HydrophobicContact CG1-CD2 4.47Å
171	A	98.1	Very high	97.4	Very high	2 Å²	2	17.1 Å²	17.1	2%	0.017	11%	0.105	C	C	.	.			trans	-75.4	136.1	-174.3	0	0	0	0	0	112.3	S109 D110 F111 V162 G186	S109-A171 VanDerWaalsContact CB-CB 3.49Å; S109-A171 WeakPolarHBondContact OG-CB 3.08Å; D110-A171 WeakPolarHBondContact O-CB 3.35Å; D110-A171 PolarHBondContact O-N 2.9Å; F111-A171 HydrophobicContact CD1-CB 3.65Å; F111-A171 VanDerWaalsContact CD1-O 3.27Å; F111-A171 WeakPolarHBondContact CD1-O 3.37Å; F111-A171 HydrophobicContact CE1-CB 3.7Å; F111-A171 HydrophobicContact CG-CB 4.23Å; F111-A171 HydrophobicContact CZ-CB 4.33Å; V162-A171 HydrophobicContact CG1-CB 4.18Å; A171-G186 WeakPolarHBondContact O-CA 3.09Å
172	D	98.3	Very high	97.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	162.4	172.9	-63	-25.1	0	0	0	110.7	V162 C163 L165 Y184 I185 G186	V162-D172 WeakPolarHBondContact CA-O 3.1Å; C163-D172 PolarHBondContact N-O 3.4Å; C163-D172 WeakPolarHBondContact O-CA 3.42Å; C163-D172 WeakPolarHBondContact O-CB 3.45Å; C163-D172 PolarHBondContact O-N 3.27Å; L165-D172 WeakPolarHBondContact CA-OD2 3.07Å; L165-D172 WeakPolarHBondContact CB-OD2 3.37Å; L165-D172 PolarHBondContact N-OD2 3.39Å; D172-Y184 VanDerWaalsContact CA-O 3.3Å; D172-Y184 WeakPolarHBondContact CA-O 3.45Å; D172-I185 WeakPolarHBondContact OD1-CA 3.41Å; D172-G186 PolarHBondContact OD1-N 3.35Å
173	V	98.5	Very high	97.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.1	172.8	-176.1	0	0	0	0	109.6	F111 L120 L153 F156 P160 L161 A183 Y184	F111-V173 HydrophobicContact CD1-CG2 4.1Å; F111-V173 HydrophobicContact CE1-CG2 3.54Å; F111-V173 HydrophobicContact CZ-CG2 4.33Å; L120-V173 HydrophobicContact CD1-CG2 3.75Å; L120-V173 HydrophobicContact CD2-CG1 4.29Å; L120-V173 HydrophobicContact CD2-CG2 4.24Å; L153-V173 HydrophobicContact CD2-CB 4.27Å; L153-V173 HydrophobicContact CD2-CG1 4.27Å; L153-V173 HydrophobicContact CD2-CG2 4.21Å; F156-V173 HydrophobicContact CE1-CG1 4.46Å; F156-V173 HydrophobicContact CZ-CG1 4.03Å; P160-V173 HydrophobicContact CB-CG1 3.58Å; P160-V173 HydrophobicContact CG-CG1 3.77Å; L161-V173 WeakPolarHBondContact O-CA 3.23Å; V173-A183 CarbonylContact O-C 3.54Å; V173-A183 VanDerWaalsContact O-CA 3.3Å; V173-A183 WeakPolarHBondContact O-CA 3.32Å; V173-Y184 PolarHBondContact N-O 2.83Å; V173-Y184 PolarHBondContact O-N 2.91Å
174	Y	98.4	Very high	97.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.7	177.5	-178.1	-121.3	0	0	0	111.6	P160 L161 L165 R181 V182 A183 W202 I221 I223 L246 P247	P160-Y174 WeakPolarHBondContact CA-O 3.2Å; P160-Y174 WeakPolarHBondContact CB-O 3.35Å; L161-Y174 PolarHBondContact N-O 3.25Å; L161-Y174 PolarHBondContact O-N 2.91Å; L165-Y174 HydrophobicContact CD1-CD2 4.38Å; Y174-R181 HydrophobicContact CE2-CB 4.22Å; Y174-R181 WeakPolarHBondContact OH-CD 3.31Å; Y174-V182 WeakPolarHBondContact CA-O 3.2Å; Y174-V182 VanDerWaalsContact CD2-O 3.23Å; Y174-V182 WeakPolarHBondContact CD2-O 3.32Å; Y174-A183 HydrophobicContact CD2-CB 4.18Å; Y174-W202 AromaticContact CD1-CH2 3.99Å; Y174-W202 HydrophobicContact CD1-CH2 3.99Å; Y174-W202 AromaticContact CD1-CZ3 4Å; Y174-W202 HydrophobicContact CD1-CZ3 4Å; Y174-W202 HydrophobicContact CE1-CH2 4.3Å; Y174-W202 AromaticContact CE1-CZ3 3.93Å; Y174-W202 HydrophobicContact CE1-CZ3 3.93Å; Y174-I221 HydrophobicContact CD1-CD1 4.08Å; Y174-I221 HydrophobicContact CE1-CD1 4.05Å; Y174-I221 HydrophobicContact CE1-CG2 4.37Å; Y174-I223 HydrophobicContact CE1-CD1 3.99Å; Y174-L246 HydrophobicContact CE2-CD2 4.35Å; Y174-P247 HydrophobicContact CD1-CG 4.43Å; Y174-P247 HydrophobicContact CD2-CG 4.33Å; Y174-P247 HydrophobicContact CE1-CB 4.45Å; Y174-P247 HydrophobicContact CE1-CG 3.94Å; Y174-P247 HydrophobicContact CE2-CG 3.87Å
175	G	98.1	Very high	97.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	-162.7	-178.2	0	0	0	0	0	114	V182	G175-V182 PolarHBondContact N-O 2.87Å; G175-V182 PolarHBondContact O-N 3.08Å
176	E	98	Very high	97.5	Very high	13 Å²	13	19 Å²	19	6%	0.061	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.5	175.4	-164.4	-167.8	116.5	0	0	110.9	F156 T157 H180 R181 S201 W202	F156-E176 CarbonylContact C-O 3.43Å; F156-E176 VanDerWaalsContact CA-O 3.3Å; F156-E176 WeakPolarHBondContact CA-O 3.18Å; T157-E176 PolarHBondContact N-O 2.81Å; T157-E176 PolarHBondContact OG1-O 2.92Å; T157-E176 PolarHBondContact OG1-OE1 2.92Å; T157-E176 VanDerWaalsContact OG1-OE1 3.11Å; E176-H180 CarbonylContact C-O 3.45Å; E176-H180 VanDerWaalsContact CA-O 3.27Å; E176-H180 WeakPolarHBondContact CA-O 3.3Å; E176-H180 WeakPolarHBondContact CG-O 3.34Å; E176-R181 IonicContact OE2-CZ 3.31Å; E176-R181 IonicContact OE2-NH1 3.39Å; E176-R181 PolarHBondContact OE2-NH1 3.23Å; E176-S201 WeakPolarHBondContact OE2-CA 3.3Å; E176-W202 HydrophobicContact CB-CB 4.04Å; E176-W202 HydrophobicContact CB-CE3 4.32Å; E176-W202 PolarHBondContact OE2-N 3.13Å
177	V	98.1	Very high	97.5	Very high	11 Å²	11	17.5 Å²	17.5	7%	0.067	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	116.2	176.2	175.2	0	0	0	0	108.3	D154 T155 F156 G179 H180 V182	D154-V177 HydrophobicContact CB-CG2 4.16Å; T155-V177 WeakPolarHBondContact O-CG1 3.4Å; F156-V177 HydrophobicContact CD1-CG2 3.71Å; F156-V177 HydrophobicContact CD2-CG2 4.27Å; F156-V177 HydrophobicContact CE1-CG2 3.92Å; F156-V177 HydrophobicContact CE2-CG2 4.45Å; F156-V177 HydrophobicContact CG-CG2 3.92Å; F156-V177 HydrophobicContact CZ-CG2 4.3Å; V177-G179 VanDerWaalsContact C-N 3.34Å; V177-G179 PolarHBondContact O-N 2.81Å; V177-H180 PolarHBondContact N-O 2.88Å; V177-H180 WeakPolarHBondContact O-CB 3.43Å; V177-H180 PolarHBondContact O-N 3.33Å; V177-V182 HydrophobicContact CB-CG2 3.89Å; V177-V182 HydrophobicContact CG2-CB 4.3Å; V177-V182 HydrophobicContact CG2-CG2 4.04Å
178	S	95	Very high	97.4	Very high	102 Å²	102	25.3 Å²	25.3	71%	0.713	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	50.5	172.4	-58.3	0	0	0	0	113.7	H180	S178-H180 VanDerWaalsContact C-N 3.3Å; S178-H180 PolarHBondContact O-N 2.83Å; S178-H180 PolarHBondContact O-ND1 2.89Å
179	G	94.5	Very high	97.2	Very high	31 Å²	31	31 Å²	31	32%	0.32	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	15.1	-179.6	0	0	0	0	0	115.3	V177 Y197	V177-G179 VanDerWaalsContact C-N 3.34Å; V177-G179 PolarHBondContact O-N 2.81Å; G179-Y197 PolarHBondContact O-N 3.08Å
180	H	97.9	Very high	97.1	Very high	66 Å²	66	31.8 Å²	31.8	31%	0.306	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.1	174	-62.3	69.9	0	0	0	109.8	E176 V177 S178 V182 A195 T196	E176-H180 CarbonylContact C-O 3.45Å; E176-H180 VanDerWaalsContact CA-O 3.27Å; E176-H180 WeakPolarHBondContact CA-O 3.3Å; E176-H180 WeakPolarHBondContact CG-O 3.34Å; V177-H180 PolarHBondContact N-O 2.88Å; V177-H180 WeakPolarHBondContact O-CB 3.43Å; V177-H180 PolarHBondContact O-N 3.33Å; S178-H180 VanDerWaalsContact C-N 3.3Å; S178-H180 PolarHBondContact O-N 2.83Å; S178-H180 PolarHBondContact O-ND1 2.89Å; H180-V182 HydrophobicContact CB-CG2 4.08Å; H180-A195 CarbonylContact C-O 3.51Å; H180-A195 VanDerWaalsContact CA-O 3.24Å; H180-A195 WeakPolarHBondContact CA-O 3.34Å; H180-A195 WeakPolarHBondContact CB-O 3.22Å; H180-T196 PolarHBondContact NE2-OG1 2.9Å
181	R	98.1	Very high	97.1	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	126.8	161.5	-71.7	-69.4	-170	-109.1	4.1	107.7	Y174 E176 S194 A195 Y197 P200 V249	Y174-R181 HydrophobicContact CE2-CB 4.22Å; Y174-R181 WeakPolarHBondContact OH-CD 3.31Å; E176-R181 IonicContact OE2-CZ 3.31Å; E176-R181 IonicContact OE2-NH1 3.39Å; E176-R181 PolarHBondContact OE2-NH1 3.23Å; R181-S194 WeakPolarHBondContact O-CA 3.29Å; R181-A195 PolarHBondContact N-O 2.73Å; R181-A195 PolarHBondContact O-N 2.85Å; R181-Y197 HydrophobicContact CG-CD1 4.17Å; R181-Y197 HydrophobicContact CG-CD2 4.26Å; R181-Y197 HydrophobicContact CG-CG 3.81Å; R181-Y197 PolarHBondContact NH2-OH 2.9Å; R181-P200 PolarHBondContact NH2-O 3.1Å; R181-V249 HydrophobicContact CG-CG1 4.09Å
182	V	98.3	Very high	97.1	Very high	1 Å²	1	39 Å²	39	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.5	-173.2	177.7	0	0	0	0	109.5	Y174 G175 V177 H180 Y184 K192 L193	Y174-V182 WeakPolarHBondContact CA-O 3.2Å; Y174-V182 VanDerWaalsContact CD2-O 3.23Å; Y174-V182 WeakPolarHBondContact CD2-O 3.32Å; G175-V182 PolarHBondContact N-O 2.87Å; G175-V182 PolarHBondContact O-N 3.08Å; V177-V182 HydrophobicContact CB-CG2 3.89Å; V177-V182 HydrophobicContact CG2-CB 4.3Å; V177-V182 HydrophobicContact CG2-CG2 4.04Å; H180-V182 HydrophobicContact CB-CG2 4.08Å; V182-Y184 HydrophobicContact CG1-CD2 3.78Å; V182-Y184 HydrophobicContact CG1-CE2 3.49Å; V182-Y184 VanDerWaalsContact CG1-CE2 3.49Å; V182-K192 HydrophobicContact CG1-CD 4.28Å; V182-K192 HydrophobicContact CG1-CG 3.86Å; V182-L193 WeakPolarHBondContact CA-O 3.17Å
183	A	98.4	Very high	97.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.5	165.8	0	0	0	0	0	109.3	L165 V173 Y174 I185 K192 L193 L246	L165-A183 HydrophobicContact CD1-CB 3.6Å; V173-A183 CarbonylContact O-C 3.54Å; V173-A183 VanDerWaalsContact O-CA 3.3Å; V173-A183 WeakPolarHBondContact O-CA 3.32Å; Y174-A183 HydrophobicContact CD2-CB 4.18Å; A183-I185 HydrophobicContact CB-CD1 4.09Å; A183-K192 CarbonylContact O-C 3.48Å; A183-K192 WeakPolarHBondContact O-CA 3.29Å; A183-L193 HydrophobicContact CB-CB 4.44Å; A183-L193 PolarHBondContact N-O 2.98Å; A183-L193 PolarHBondContact O-N 3.39Å; A183-L246 HydrophobicContact CB-CD2 3.56Å
184	Y	98.5	Very high	97	Very high	18 Å²	18	45.1 Å²	45.1	7%	0.071	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	107.3	165.1	-75.1	-90.3	0	0	0	107.8	L153 D154 F156 D172 V173 V182 L190 T191 K192	L153-Y184 HydrophobicContact CD1-CD1 3.39Å; L153-Y184 HydrophobicContact CD1-CD2 4.23Å; L153-Y184 HydrophobicContact CD1-CE1 3.53Å; L153-Y184 HydrophobicContact CD1-CE2 4.37Å; L153-Y184 HydrophobicContact CD1-CG 3.74Å; L153-Y184 HydrophobicContact CD2-CD1 4.49Å; L153-Y184 HydrophobicContact CD2-CD2 3.87Å; L153-Y184 HydrophobicContact CD2-CE2 4.23Å; L153-Y184 HydrophobicContact CD2-CG 4Å; L153-Y184 HydrophobicContact CG-CD1 4Å; L153-Y184 HydrophobicContact CG-CD2 3.94Å; L153-Y184 HydrophobicContact CG-CE1 3.91Å; L153-Y184 HydrophobicContact CG-CE2 3.9Å; L153-Y184 HydrophobicContact CG-CG 3.98Å; L153-Y184 PolarHBondContact O-OH 2.82Å; D154-Y184 HydrophobicContact CB-CE2 4.05Å; D154-Y184 VanDerWaalsContact CB-OH 3.3Å; D154-Y184 WeakPolarHBondContact CB-OH 3.29Å; D154-Y184 PolarHBondContact OD2-OH 2.84Å; F156-Y184 HydrophobicContact CE2-CE2 4.33Å; F156-Y184 AromaticContact CZ-CD2 3.94Å; F156-Y184 HydrophobicContact CZ-CD2 3.94Å; F156-Y184 AromaticContact CZ-CE2 3.8Å; F156-Y184 HydrophobicContact CZ-CE2 3.8Å; D172-Y184 VanDerWaalsContact CA-O 3.3Å; D172-Y184 WeakPolarHBondContact CA-O 3.45Å; V173-Y184 PolarHBondContact N-O 2.83Å; V173-Y184 PolarHBondContact O-N 2.91Å; V182-Y184 HydrophobicContact CG1-CD2 3.78Å; V182-Y184 HydrophobicContact CG1-CE2 3.49Å; V182-Y184 VanDerWaalsContact CG1-CE2 3.49Å; Y184-L190 HydrophobicContact CD1-CB 4.19Å; Y184-T191 WeakPolarHBondContact CA-O 3.47Å; Y184-K192 HydrophobicContact CD1-CB 4.04Å; Y184-K192 HydrophobicContact CD1-CG 4.45Å; Y184-K192 HydrophobicContact CE1-CB 3.78Å; Y184-K192 HydrophobicContact CE1-CD 4.1Å; Y184-K192 HydrophobicContact CE1-CG 4Å; Y184-K192 HydrophobicContact CE2-CG 4.45Å; Y184-K192 PolarHBondContact OH-NZ 2.87Å
185	I	98.3	Very high	97	Very high	20 Å²	20	47.3 Å²	47.3	10%	0.103	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.6	-179.4	-52.8	-56.7	0	0	0	109.2	L165 N166 D172 A183 L190 T191 L193	L165-I185 HydrophobicContact CB-CD1 4.37Å; L165-I185 HydrophobicContact CD1-CD1 4.44Å; N166-I185 HydrophobicContact CB-CG2 4.4Å; N166-I185 VanDerWaalsContact ND2-CG2 3.33Å; N166-I185 WeakPolarHBondContact ND2-CG2 3.45Å; D172-I185 WeakPolarHBondContact OD1-CA 3.41Å; A183-I185 HydrophobicContact CB-CD1 4.09Å; I185-L190 CarbonylContact O-C 3.56Å; I185-L190 VanDerWaalsContact O-CA 3.23Å; I185-L190 WeakPolarHBondContact O-CA 3.2Å; I185-T191 PolarHBondContact N-O 3.27Å; I185-T191 PolarHBondContact O-N 2.92Å; I185-L193 HydrophobicContact CD1-CD1 4.1Å; I185-L193 HydrophobicContact CG1-CD1 3.76Å; I185-L193 HydrophobicContact CG1-CG 4.08Å
186	G	98	Very high	96.9	Very high	10 Å²	10	52.7 Å²	52.7	10%	0.103	30%	0.304	C	S	.	.			trans	-64.9	173.9	-178.9	0	0	0	0	0	114.2	F111 A171 D172	F111-G186 WeakPolarHBondContact O-CA 3.29Å; A171-G186 WeakPolarHBondContact O-CA 3.09Å; D172-G186 PolarHBondContact OD1-N 3.35Å
187	G	96.7	Very high	96.9	Very high	11 Å²	11	53.3 Å²	53.3	11%	0.113	31%	0.306	C	S	.	.	S	Bend	trans	123.1	-168.1	-178.3	0	0	0	0	0	112	F111 N112 K189	F111-G187 PolarHBondContact O-N 2.84Å; N112-G187 WeakPolarHBondContact CA-O 3.46Å; G187-K189 PolarHBondContact O-N 2.79Å
188	N	93	Very high	96.6	Very high	168 Å²	168	58.9 Å²	58.9	90%	0.898	35%	0.345	S	S	*	.	S	Bend	trans	-47.2	-31.1	-176.5	-71.9	-16.6	0	0	0	114.3
189	K	92.5	Very high	96.6	Very high	165 Å²	165	55.7 Å²	55.7	72%	0.717	33%	0.329	S	S	*	.	S	Bend	trans	-143.4	132.7	168.5	-177.5	-177.1	177.7	-175.9	0	109	G187 T191	G187-K189 PolarHBondContact O-N 2.79Å; K189-T191 PolarHBondContact O-N 3.38Å; K189-T191 PolarHBondContact O-OG1 3Å
190	L	95.6	Very high	96.7	Very high	23 Å²	23	55 Å²	55	12%	0.12	32%	0.319	C	S	.	.			trans	-60.1	124.7	173.3	-67	116.6	0	0	0	111.3	V135 Y137 L153 Y184 I185	V135-L190 HydrophobicContact CG2-CD1 4.25Å; Y137-L190 WeakPolarHBondContact OH-CD1 3.06Å; L153-L190 HydrophobicContact CD1-CB 4.29Å; L153-L190 HydrophobicContact CD1-CD1 4.16Å; L153-L190 HydrophobicContact CD1-CD2 4.22Å; L153-L190 HydrophobicContact CD1-CG 4.47Å; Y184-L190 HydrophobicContact CD1-CB 4.19Å; I185-L190 CarbonylContact O-C 3.56Å; I185-L190 VanDerWaalsContact O-CA 3.23Å; I185-L190 WeakPolarHBondContact O-CA 3.2Å
191	T	97.1	Very high	96.6	Very high	81 Å²	81	53.9 Å²	53.9	50%	0.497	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119	-179.5	-61.6	0	0	0	0	110.2	Y184 I185 K189	Y184-T191 WeakPolarHBondContact CA-O 3.47Å; I185-T191 PolarHBondContact N-O 3.27Å; I185-T191 PolarHBondContact O-N 2.92Å; K189-T191 PolarHBondContact O-N 3.38Å; K189-T191 PolarHBondContact O-OG1 3Å
192	K	97.8	Very high	96.5	Very high	94 Å²	94	53.8 Å²	53.8	41%	0.409	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.1	-178.6	-172.6	177.1	-178.3	158.6	0	111.3	D154 V182 A183 Y184	D154-K192 IonicContact OD2-NZ 2.63Å; D154-K192 PolarHBondContact OD2-NZ 3.02Å; V182-K192 HydrophobicContact CG1-CD 4.28Å; V182-K192 HydrophobicContact CG1-CG 3.86Å; A183-K192 CarbonylContact O-C 3.48Å; A183-K192 WeakPolarHBondContact O-CA 3.29Å; Y184-K192 HydrophobicContact CD1-CB 4.04Å; Y184-K192 HydrophobicContact CD1-CG 4.45Å; Y184-K192 HydrophobicContact CE1-CB 3.78Å; Y184-K192 HydrophobicContact CE1-CD 4.1Å; Y184-K192 HydrophobicContact CE1-CG 4Å; Y184-K192 HydrophobicContact CE2-CG 4.45Å; Y184-K192 PolarHBondContact OH-NZ 2.87Å
193	L	97.8	Very high	96.4	Very high	61 Å²	61	53.8 Å²	53.8	32%	0.319	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.3	162.9	-55	179.6	0	0	0	108.2	V182 A183 I185 L246	V182-L193 WeakPolarHBondContact CA-O 3.17Å; A183-L193 HydrophobicContact CB-CB 4.44Å; A183-L193 PolarHBondContact N-O 2.98Å; A183-L193 PolarHBondContact O-N 3.39Å; I185-L193 HydrophobicContact CD1-CD1 4.1Å; I185-L193 HydrophobicContact CG1-CD1 3.76Å; I185-L193 HydrophobicContact CG1-CG 4.08Å; L193-L246 HydrophobicContact CB-CD1 4.25Å; L193-L246 HydrophobicContact CB-CD2 4.13Å; L193-L246 HydrophobicContact CB-CG 4.02Å
194	S	97.7	Very high	96.1	Very high	69 Å²	69	62.1 Å²	62.1	48%	0.483	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	142.1	-179.6	60.3	0	0	0	0	112	R181	R181-S194 WeakPolarHBondContact O-CA 3.29Å
195	A	97.6	Very high	95.8	Very high	45 Å²	45	63.6 Å²	63.6	37%	0.372	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	141	169.9	0	0	0	0	0	110	H180 R181 L246	H180-A195 CarbonylContact C-O 3.51Å; H180-A195 VanDerWaalsContact CA-O 3.24Å; H180-A195 WeakPolarHBondContact CA-O 3.34Å; H180-A195 WeakPolarHBondContact CB-O 3.22Å; R181-A195 PolarHBondContact N-O 2.73Å; R181-A195 PolarHBondContact O-N 2.85Å; A195-L246 HydrophobicContact CB-CD1 3.73Å
196	T	97	Very high	95.7	Very high	114 Å²	114	62.6 Å²	62.6	70%	0.699	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	137.8	172.7	-53.4	0	0	0	0	109.6	H180	H180-T196 PolarHBondContact NE2-OG1 2.9Å
197	Y	96.1	Very high	95.6	Very high	26 Å²	26	62.2 Å²	62.2	10%	0.102	35%	0.349	C	S	.	.			trans	-135.9	122.6	-177.8	172.6	-107	0	0	0	110.2	G179 R181 G199 P200 Q234 V249	G179-Y197 PolarHBondContact O-N 3.08Å; R181-Y197 HydrophobicContact CG-CD1 4.17Å; R181-Y197 HydrophobicContact CG-CD2 4.26Å; R181-Y197 HydrophobicContact CG-CG 3.81Å; R181-Y197 PolarHBondContact NH2-OH 2.9Å; Y197-G199 VanDerWaalsContact CZ-C 3.5Å; Y197-G199 VanDerWaalsContact CZ-CA 3.4Å; Y197-P200 WeakPolarHBondContact CE1-O 3.26Å; Y197-P200 VanDerWaalsContact OH-CD 3.31Å; Y197-P200 WeakPolarHBondContact OH-CD 3.22Å; Y197-P200 PolarHBondContact OH-O 2.89Å; Y197-Q234 PolarHBondContact OH-NE2 3.28Å; Y197-V249 HydrophobicContact CD2-CB 4.06Å; Y197-V249 HydrophobicContact CD2-CG1 4.48Å; Y197-V249 HydrophobicContact CD2-CG2 3.68Å; Y197-V249 HydrophobicContact CE2-CB 3.92Å; Y197-V249 HydrophobicContact CE2-CG1 4.37Å; Y197-V249 HydrophobicContact CE2-CG2 4.05Å
198	S	93.7	Very high	95.7	Very high	127 Å²	127	61.7 Å²	61.7	89%	0.888	34%	0.343	S	S	*	.			trans	-111.5	13.3	-177	54.5	0	0	0	0	113.4
199	G	95	Very high	95.9	Very high	36 Å²	36	53.7 Å²	53.7	37%	0.371	30%	0.301	S	S	.	.	S	Bend	trans	-88.6	-167.2	176.7	0	0	0	0	0	113.4	Y197 S201	Y197-G199 VanDerWaalsContact CZ-C 3.5Å; Y197-G199 VanDerWaalsContact CZ-CA 3.4Å; G199-S201 PolarHBondContact O-N 3.3Å
200	P	95.8	Very high	96.2	Very high	15 Å²	15	45.9 Å²	45.9	10%	0.097	27%	0.267	C	S	.	.	S	Bend	trans	-54.1	130.7	176.8	-29.6	37.8	0	0	0	113.7	R181 Y197 V225 N227 L254	R181-P200 PolarHBondContact NH2-O 3.1Å; Y197-P200 WeakPolarHBondContact CE1-O 3.26Å; Y197-P200 VanDerWaalsContact OH-CD 3.31Å; Y197-P200 WeakPolarHBondContact OH-CD 3.22Å; Y197-P200 PolarHBondContact OH-O 2.89Å; P200-V225 HydrophobicContact CB-CB 3.73Å; P200-V225 HydrophobicContact CB-CG2 3.64Å; P200-V225 HydrophobicContact CG-CG2 4.4Å; P200-N227 HydrophobicContact CB-CB 3.83Å; P200-N227 HydrophobicContact CG-CB 3.77Å; P200-L254 HydrophobicContact CG-CD1 4.02Å; P200-L254 HydrophobicContact CG-CD2 4.31Å
201	S	95.7	Very high	96.2	Very high	44 Å²	44	44.8 Å²	44.8	31%	0.308	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	146.7	-178.3	-179.3	0	0	0	0	111	E176 G199 S203 V225 D226	E176-S201 WeakPolarHBondContact OE2-CA 3.3Å; G199-S201 PolarHBondContact O-N 3.3Å; S201-S203 PolarHBondContact O-N 3.07Å; S201-V225 CarbonylContact O-C 3.41Å; S201-V225 WeakPolarHBondContact O-CA 3.46Å; S201-V225 VanDerWaalsContact O-CB 3.31Å; S201-V225 WeakPolarHBondContact O-CB 3.42Å; S201-D226 PolarHBondContact N-O 2.9Å; S201-D226 VanDerWaalsContact N-O 3.09Å; S201-D226 PolarHBondContact O-N 2.81Å
202	W	96.2	Very high	96.1	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	128.2	167.6	-157.6	-62.8	0	0	0	109.5	S158 L161 Y174 E176 S208 I223	S158-W202 VanDerWaalsContact CB-CD1 3.49Å; L161-W202 HydrophobicContact CB-CH2 4.13Å; L161-W202 HydrophobicContact CB-CZ2 4.27Å; Y174-W202 AromaticContact CD1-CH2 3.99Å; Y174-W202 HydrophobicContact CD1-CH2 3.99Å; Y174-W202 AromaticContact CD1-CZ3 4Å; Y174-W202 HydrophobicContact CD1-CZ3 4Å; Y174-W202 HydrophobicContact CE1-CH2 4.3Å; Y174-W202 AromaticContact CE1-CZ3 3.93Å; Y174-W202 HydrophobicContact CE1-CZ3 3.93Å; E176-W202 HydrophobicContact CB-CB 4.04Å; E176-W202 HydrophobicContact CB-CE3 4.32Å; E176-W202 PolarHBondContact OE2-N 3.13Å; W202-S208 WeakPolarHBondContact CZ2-OG 3.29Å; W202-I223 HydrophobicContact CD2-CG2 3.65Å; W202-I223 HydrophobicContact CE3-CD1 4.05Å; W202-I223 HydrophobicContact CE3-CG2 4.03Å; W202-I223 HydrophobicContact CG-CG2 4.02Å; W202-I223 HydrophobicContact CH2-CD1 3.79Å; W202-I223 HydrophobicContact CH2-CG1 3.89Å; W202-I223 HydrophobicContact CH2-CG2 4.44Å; W202-I223 HydrophobicContact CZ2-CD1 4.46Å; W202-I223 HydrophobicContact CZ2-CG1 4.12Å; W202-I223 HydrophobicContact CZ2-CG2 4.1Å; W202-I223 HydrophobicContact CZ3-CD1 3.54Å; W202-I223 HydrophobicContact CZ3-CG1 4.11Å; W202-I223 HydrophobicContact CZ3-CG2 4.39Å
203	S	94.8	Very high	95.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-63.8	144.7	-173.5	-175.4	0	0	0	0	111.4	S158 S201 L205 G206 L224 D226 Q231	S158-S203 VanDerWaalsContact CB-O 3.29Å; S158-S203 WeakPolarHBondContact CB-O 3.4Å; S158-S203 PolarHBondContact OG-O 3.39Å; S201-S203 PolarHBondContact O-N 3.07Å; S203-L205 PolarHBondContact O-N 3.01Å; S203-L205 VanDerWaalsContact O-N 3.1Å; S203-L205 PolarHBondContact OG-N 2.75Å; S203-G206 PolarHBondContact O-N 3.02Å; S203-L224 WeakPolarHBondContact CB-O 3.38Å; S203-L224 PolarHBondContact N-O 2.92Å; S203-D226 VanDerWaalsContact CA-OD2 3.29Å; S203-D226 WeakPolarHBondContact CA-OD2 3.3Å; S203-D226 WeakPolarHBondContact CB-OD1 3.26Å; S203-D226 PolarHBondContact OG-OD1 3.12Å; S203-D226 PolarHBondContact OG-OD2 2.8Å; S203-Q231 PolarHBondContact OG-NE2 3.22Å
204	R	92.3	Very high	95.4	Very high	176 Å²	176	35.3 Å²	35.3	66%	0.664	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.9	175.2	-65.3	-176.1	-176.6	174.8	1.3	113.5	G206 D226	R204-G206 VanDerWaalsContact C-N 3.28Å; R204-D226 PolarHBondContact N-OD2 3.18Å
205	L	93.6	Very high	94.9	Very high	48 Å²	48	34.7 Å²	34.7	25%	0.251	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-21.7	173.1	-65.2	179	0	0	0	112.8	S203 Y207 L224 L269 S384 C550	S203-L205 PolarHBondContact O-N 3.01Å; S203-L205 VanDerWaalsContact O-N 3.1Å; S203-L205 PolarHBondContact OG-N 2.75Å; L205-Y207 VanDerWaalsContact C-N 3.26Å; L205-Y207 HydrophobicContact CB-CD1 4.01Å; L205-Y207 HydrophobicContact CB-CD2 4.18Å; L205-Y207 HydrophobicContact CB-CE1 3.86Å; L205-Y207 HydrophobicContact CB-CE2 4.04Å; L205-Y207 HydrophobicContact CB-CG 4.16Å; L205-Y207 HydrophobicContact CD1-CD2 4.33Å; L205-Y207 HydrophobicContact CD1-CE2 3.8Å; L205-Y207 HydrophobicContact CG-CE2 4.46Å; L205-Y207 WeakPolarHBondContact O-CD1 3.3Å; L205-Y207 VanDerWaalsContact O-CE1 3.3Å; L205-Y207 WeakPolarHBondContact O-CE1 3.39Å; L205-Y207 PolarHBondContact O-N 3.3Å; L205-L224 HydrophobicContact CB-CD2 4.13Å; L205-L224 HydrophobicContact CD1-CD2 3.83Å; L205-L224 HydrophobicContact CG-CD2 4.48Å; L205-L269 HydrophobicContact CD1-CB 4.12Å; L205-L269 HydrophobicContact CD1-CD2 4.2Å; L205-S384 WeakPolarHBondContact CD2-OG 3.3Å; L205-C550 PolarHBondContact O-SG 2.93Å
206	G	95.2	Very high	94.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.217	C	C	.	.			trans	77.1	1.9	175.9	0	0	0	0	0	115.8	S158 S203 R204 S208 C549	S158-G206 WeakPolarHBondContact OG-CA 3.37Å; S158-G206 PolarHBondContact OG-N 3.35Å; S203-G206 PolarHBondContact O-N 3.02Å; R204-G206 VanDerWaalsContact C-N 3.28Å; G206-S208 PolarHBondContact O-N 3.09Å; G206-S208 PolarHBondContact O-OG 3.36Å; G206-C549 WeakPolarHBondContact O-CB 3.4Å; G206-C549 PolarHBondContact O-SG 2.75Å
207	Y	97	Very high	94	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	19%	0.188	C	C	.	.			trans	-63.4	119.8	-174.7	-57.2	-11.7	0	0	0	111.1	L205 L224 L269 G270 L271 S383 S384 C550	L205-Y207 VanDerWaalsContact C-N 3.26Å; L205-Y207 HydrophobicContact CB-CD1 4.01Å; L205-Y207 HydrophobicContact CB-CD2 4.18Å; L205-Y207 HydrophobicContact CB-CE1 3.86Å; L205-Y207 HydrophobicContact CB-CE2 4.04Å; L205-Y207 HydrophobicContact CB-CG 4.16Å; L205-Y207 HydrophobicContact CD1-CD2 4.33Å; L205-Y207 HydrophobicContact CD1-CE2 3.8Å; L205-Y207 HydrophobicContact CG-CE2 4.46Å; L205-Y207 WeakPolarHBondContact O-CD1 3.3Å; L205-Y207 VanDerWaalsContact O-CE1 3.3Å; L205-Y207 WeakPolarHBondContact O-CE1 3.39Å; L205-Y207 PolarHBondContact O-N 3.3Å; Y207-L224 HydrophobicContact CD2-CD2 3.86Å; Y207-L224 HydrophobicContact CG-CD2 4.35Å; Y207-L224 PolarHBondContact O-N 3.07Å; Y207-L269 HydrophobicContact CE2-CG 4.44Å; Y207-L269 PolarHBondContact OH-O 2.95Å; Y207-G270 VanDerWaalsContact CE2-C 3.41Å; Y207-G270 WeakPolarHBondContact CE2-O 3.43Å; Y207-L271 HydrophobicContact CD1-CB 4.35Å; Y207-L271 HydrophobicContact CD1-CD1 3.41Å; Y207-L271 VanDerWaalsContact CD1-CD1 3.41Å; Y207-L271 HydrophobicContact CD1-CG 4.5Å; Y207-L271 HydrophobicContact CD2-CD1 4.23Å; Y207-L271 HydrophobicContact CE1-CB 4.13Å; Y207-L271 HydrophobicContact CE1-CD1 4Å; Y207-L271 HydrophobicContact CE2-CB 4.31Å; Y207-L271 HydrophobicContact CG-CD1 3.56Å; Y207-S383 WeakPolarHBondContact OH-CA 3.45Å; Y207-S383 PolarHBondContact OH-OG 3.08Å; Y207-S384 PolarHBondContact OH-N 3.32Å; Y207-S384 PolarHBondContact OH-OG 2.95Å; Y207-C550 HydrophobicContact CD1-CB 4.45Å; Y207-C550 WeakPolarHBondContact CD1-SG 3.09Å; Y207-C550 HydrophobicContact CE1-CB 4.17Å; Y207-C550 WeakPolarHBondContact CE1-SG 3.28Å
208	S	97.9	Very high	93.8	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	154.3	-179.2	54.2	0	0	0	0	110.3	W202 G206 V222	W202-S208 WeakPolarHBondContact CZ2-OG 3.29Å; G206-S208 PolarHBondContact O-N 3.09Å; G206-S208 PolarHBondContact O-OG 3.36Å; S208-V222 CarbonylContact C-O 3.57Å; S208-V222 WeakPolarHBondContact CA-O 3.34Å
209	A	97.8	Very high	94	Very high	1 Å²	1	24 Å²	24	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.6	176.5	0	0	0	0	0	112.5	I221 V222 F272 L274 S546 Q547	A209-I221 WeakPolarHBondContact O-CA 3.26Å; A209-V222 PolarHBondContact N-O 2.91Å; A209-V222 PolarHBondContact O-N 3.19Å; A209-F272 HydrophobicContact CB-CE2 3.65Å; A209-F272 HydrophobicContact CB-CZ 4.17Å; A209-L274 HydrophobicContact CB-CD1 3.56Å; A209-L274 HydrophobicContact CB-CG 4.25Å; A209-S546 CarbonylContact C-O 3.54Å; A209-S546 WeakPolarHBondContact CA-O 3.08Å; A209-S546 WeakPolarHBondContact CB-O 3.34Å; A209-Q547 HydrophobicContact CB-CG 3.83Å
210	F	97.7	Very high	94	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	116	175.2	-174.4	-116.2	0	0	0	110.1	L161 C163 D164 L165 P219 D220 I221 P522 S546	L161-F210 HydrophobicContact CD1-CB 4.25Å; L161-F210 HydrophobicContact CD2-CB 4.05Å; L161-F210 HydrophobicContact CG-CB 4.33Å; C163-F210 HydrophobicContact CB-CB 4.07Å; C163-F210 HydrophobicContact CB-CD1 3.74Å; C163-F210 HydrophobicContact CB-CD2 3.82Å; C163-F210 HydrophobicContact CB-CE1 4.01Å; C163-F210 HydrophobicContact CB-CE2 4.09Å; C163-F210 HydrophobicContact CB-CG 3.6Å; C163-F210 HydrophobicContact CB-CZ 4.16Å; D164-F210 HydrophobicContact CB-CE1 4.37Å; D164-F210 VanDerWaalsContact N-CE1 3.31Å; D164-F210 VanDerWaalsContact O-CZ 3.28Å; D164-F210 WeakPolarHBondContact O-CZ 3.41Å; L165-F210 HydrophobicContact CD2-CE2 4.21Å; F210-P219 HydrophobicContact CD1-CB 4.04Å; F210-P219 HydrophobicContact CD2-CB 4.13Å; F210-P219 HydrophobicContact CE1-CB 3.62Å; F210-P219 HydrophobicContact CE1-CG 4.16Å; F210-P219 HydrophobicContact CE2-CB 3.71Å; F210-P219 HydrophobicContact CG-CB 4.31Å; F210-P219 HydrophobicContact CZ-CB 3.46Å; F210-P219 VanDerWaalsContact CZ-CB 3.46Å; F210-P219 HydrophobicContact CZ-CG 4.17Å; F210-D220 WeakPolarHBondContact CA-O 3.36Å; F210-D220 WeakPolarHBondContact CD2-O 3.46Å; F210-I221 HydrophobicContact CD2-CG1 3.77Å; F210-I221 HydrophobicContact CE2-CG1 4.27Å; F210-P522 HydrophobicContact CD1-CB 4.06Å; F210-S546 PolarHBondContact N-O 3.09Å; F210-S546 VanDerWaalsContact O-CA 3.31Å; F210-S546 WeakPolarHBondContact O-CA 3.4Å
211	G	96.4	Very high	94.1	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	157.3	-178	0	0	0	0	0	112.5	I213 D220	G211-I213 PolarHBondContact O-N 3.08Å; G211-D220 PolarHBondContact N-O 2.81Å; G211-D220 WeakPolarHBondContact O-CA 3.18Å; G211-D220 WeakPolarHBondContact O-CB 3.45Å; G211-D220 PolarHBondContact O-N 2.92Å
212	D	94.3	Very high	94.2	Very high	14 Å²	14	19.5 Å²	19.5	8%	0.075	11%	0.107	C	C	.	.			trans	-73.1	96.2	178.8	176	12.8	0	0	0	109.3	N214 G215 D216 G217 I283	D212-N214 PolarHBondContact OD1-N 3.32Å; D212-N214 PolarHBondContact OD1-OD1 2.79Å; D212-G215 WeakPolarHBondContact OD1-CA 3.2Å; D212-G215 PolarHBondContact OD1-N 2.86Å; D212-G215 WeakPolarHBondContact OD2-CA 3.49Å; D212-D216 PolarHBondContact OD1-N 2.94Å; D212-G217 WeakPolarHBondContact OD2-CA 3.35Å; D212-G217 PolarHBondContact OD2-N 2.93Å; D212-I283 WeakPolarHBondContact O-CG1 3.48Å
213	I	93.1	Very high	94.3	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.026	11%	0.106	C	C	.	.	S	Bend	trans	-93.9	-14.4	-177.8	66.8	-173.5	0	0	0	112.1	G211 D220 V222 V235 L237 L274 I283 F306	G211-I213 PolarHBondContact O-N 3.08Å; I213-D220 HydrophobicContact CD1-CB 3.91Å; I213-D220 HydrophobicContact CG1-CB 3.83Å; I213-D220 WeakPolarHBondContact CG1-OD2 2.85Å; I213-V222 HydrophobicContact CD1-CG2 3.65Å; I213-V235 HydrophobicContact CD1-CG1 3.76Å; I213-L237 HydrophobicContact CD1-CD2 4.15Å; I213-L237 HydrophobicContact CG1-CD2 4.22Å; I213-L274 HydrophobicContact CG2-CD1 3.9Å; I213-I283 HydrophobicContact CG2-CG2 4.2Å; I213-F306 HydrophobicContact CB-CD2 3.75Å; I213-F306 HydrophobicContact CB-CE2 4Å; I213-F306 HydrophobicContact CB-CG 4.06Å; I213-F306 HydrophobicContact CD1-CD1 3.83Å; I213-F306 HydrophobicContact CD1-CD2 4.42Å; I213-F306 HydrophobicContact CD1-CE1 3.74Å; I213-F306 HydrophobicContact CD1-CE2 4.32Å; I213-F306 HydrophobicContact CD1-CG 4.19Å; I213-F306 HydrophobicContact CD1-CZ 3.99Å; I213-F306 HydrophobicContact CG1-CD1 4.3Å; I213-F306 HydrophobicContact CG1-CD2 4.35Å; I213-F306 HydrophobicContact CG1-CG 4.19Å; I213-F306 HydrophobicContact CG2-CD2 4.34Å; I213-F306 HydrophobicContact CG2-CE2 4.11Å; I213-F306 WeakPolarHBondContact O-CB 3.41Å
214	N	88.6	Confident	94.4	Very high	18 Å²	18	19.5 Å²	19.5	10%	0.096	11%	0.107	C	C	.	.	S	Bend	trans	-109.7	5.7	-178.5	76.6	10.6	0	0	0	112.9	D212 D216 D220 L237 L308	D212-N214 PolarHBondContact OD1-N 3.32Å; D212-N214 PolarHBondContact OD1-OD1 2.79Å; N214-D216 PolarHBondContact ND2-OD2 2.81Å; N214-D216 PolarHBondContact O-N 2.04Å; N214-D216 VanDerWaalsContact O-N 3.14Å; N214-D216 VanDerWaalsContact OD1-CB 3.24Å; N214-D216 WeakPolarHBondContact OD1-CB 3.31Å; N214-D216 PolarHBondContact OD1-N 2.8Å; N214-D216 PolarHBondContact OD1-OD1 2.83Å; N214-D216 VanDerWaalsContact OD1-OD1 3.12Å; N214-D216 PolarHBondContact OD1-OD2 2.79Å; N214-D220 PolarHBondContact ND2-OD2 3.25Å; N214-L237 HydrophobicContact CB-CD2 4.31Å; N214-L308 HydrophobicContact CB-CD2 4.21Å; N214-L308 WeakPolarHBondContact O-CD2 3.47Å
215	G	86.8	Confident	94.5	Very high	55 Å²	55	11.1 Å²	11.1	57%	0.567	8%	0.075	S	C	*	.	S	Bend	trans	63	18.3	177	0	0	0	0	0	115.2	D212 G217	D212-G215 WeakPolarHBondContact OD1-CA 3.2Å; D212-G215 PolarHBondContact OD1-N 2.86Å; D212-G215 WeakPolarHBondContact OD2-CA 3.49Å; G215-G217 VanDerWaalsContact C-N 3.31Å
216	D	86.9	Confident	94.5	Very high	71 Å²	71	11 Å²	11	38%	0.38	7%	0.074	S	C	.	.	S	Bend	trans	-86.9	-2.7	178	81.4	4.8	0	0	0	113.3	D212 N214 V218	D212-D216 PolarHBondContact OD1-N 2.94Å; N214-D216 PolarHBondContact ND2-OD2 2.81Å; N214-D216 PolarHBondContact O-N 2.04Å; N214-D216 VanDerWaalsContact O-N 3.14Å; N214-D216 VanDerWaalsContact OD1-CB 3.24Å; N214-D216 WeakPolarHBondContact OD1-CB 3.31Å; N214-D216 PolarHBondContact OD1-N 2.8Å; N214-D216 PolarHBondContact OD1-OD1 2.83Å; N214-D216 VanDerWaalsContact OD1-OD1 3.12Å; N214-D216 PolarHBondContact OD1-OD2 2.79Å; D216-V218 VanDerWaalsContact C-N 3.32Å; D216-V218 WeakPolarHBondContact OD1-CA 2.99Å; D216-V218 WeakPolarHBondContact OD1-CB 3.44Å; D216-V218 WeakPolarHBondContact OD1-CG2 3.13Å; D216-V218 PolarHBondContact OD1-N 3.44Å
217	G	88.5	Confident	94.3	Very high	9 Å²	9	13.1 Å²	13.1	9%	0.093	9%	0.086	C	C	.	.	S	Bend	trans	85.7	-4.9	-179.2	0	0	0	0	0	114.2	D212 G215 P578	D212-G217 WeakPolarHBondContact OD2-CA 3.35Å; D212-G217 PolarHBondContact OD2-N 2.93Å; G215-G217 VanDerWaalsContact C-N 3.31Å; G217-P578 VanDerWaalsContact O-CD 3.23Å; G217-P578 WeakPolarHBondContact O-CD 3.44Å
218	V	93.2	Very high	93.7	Very high	6 Å²	6	21.4 Å²	21.4	4%	0.036	13%	0.125	C	C	.	.	S	Bend	trans	-99.3	121.8	175.7	-173.4	0	0	0	0	108.7	D216 D220 R238 P578	D216-V218 VanDerWaalsContact C-N 3.32Å; D216-V218 WeakPolarHBondContact OD1-CA 2.99Å; D216-V218 WeakPolarHBondContact OD1-CB 3.44Å; D216-V218 WeakPolarHBondContact OD1-CG2 3.13Å; D216-V218 PolarHBondContact OD1-N 3.44Å; V218-D220 PolarHBondContact O-N 3.11Å; V218-R238 HydrophobicContact CG1-CB 3.75Å; V218-P578 HydrophobicContact CB-CG 4.44Å; V218-P578 HydrophobicContact CG2-CG 3.74Å
219	P	96.5	Very high	92.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-65.3	127.7	175.6	-26.5	37.3	0	0	0	112.4	F210 R238 G523 P577	F210-P219 HydrophobicContact CD1-CB 4.04Å; F210-P219 HydrophobicContact CD2-CB 4.13Å; F210-P219 HydrophobicContact CE1-CB 3.62Å; F210-P219 HydrophobicContact CE1-CG 4.16Å; F210-P219 HydrophobicContact CE2-CB 3.71Å; F210-P219 HydrophobicContact CG-CB 4.31Å; F210-P219 HydrophobicContact CZ-CB 3.46Å; F210-P219 VanDerWaalsContact CZ-CB 3.46Å; F210-P219 HydrophobicContact CZ-CG 4.17Å; P219-R238 WeakPolarHBondContact O-CD 3.37Å; P219-R238 PolarHBondContact O-NH1 2.76Å; P219-R238 VanDerWaalsContact O-NH1 3.15Å; P219-G523 WeakPolarHBondContact CG-O 3.38Å; P219-P577 HydrophobicContact CG-CB 4.46Å; P219-P577 HydrophobicContact CG-CG 4.13Å
220	D	96.2	Very high	92.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	173.6	178.8	-62	-52	0	0	0	111.3	F210 G211 I213 N214 V218 L237 R238	F210-D220 WeakPolarHBondContact CA-O 3.36Å; F210-D220 WeakPolarHBondContact CD2-O 3.46Å; G211-D220 PolarHBondContact N-O 2.81Å; G211-D220 WeakPolarHBondContact O-CA 3.18Å; G211-D220 WeakPolarHBondContact O-CB 3.45Å; G211-D220 PolarHBondContact O-N 2.92Å; I213-D220 HydrophobicContact CD1-CB 3.91Å; I213-D220 HydrophobicContact CG1-CB 3.83Å; I213-D220 WeakPolarHBondContact CG1-OD2 2.85Å; N214-D220 PolarHBondContact ND2-OD2 3.25Å; V218-D220 PolarHBondContact O-N 3.11Å; D220-L237 HydrophobicContact CB-CD2 4.31Å; D220-L237 VanDerWaalsContact OD1-CA 3.27Å; D220-L237 WeakPolarHBondContact OD1-CA 3.36Å; D220-R238 PolarHBondContact OD1-N 3.27Å
221	I	98	Very high	91.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.4	-179.6	-64.4	165	0	0	0	110.2	L161 L165 Y174 A209 F210 I223 I236 P247	L161-I221 HydrophobicContact CD2-CG1 4.49Å; L161-I221 HydrophobicContact CD2-CG2 4.16Å; L165-I221 HydrophobicContact CD2-CD1 3.99Å; Y174-I221 HydrophobicContact CD1-CD1 4.08Å; Y174-I221 HydrophobicContact CE1-CD1 4.05Å; Y174-I221 HydrophobicContact CE1-CG2 4.37Å; A209-I221 WeakPolarHBondContact O-CA 3.26Å; F210-I221 HydrophobicContact CD2-CG1 3.77Å; F210-I221 HydrophobicContact CE2-CG1 4.27Å; I221-I223 HydrophobicContact CG2-CD1 3.59Å; I221-I223 HydrophobicContact CG2-CG1 3.62Å; I221-I236 HydrophobicContact CB-CB 4.26Å; I221-I236 HydrophobicContact CB-CD1 4.44Å; I221-I236 HydrophobicContact CG2-CD1 4.25Å; I221-I236 PolarHBondContact N-O 2.93Å; I221-I236 VanDerWaalsContact N-O 3.16Å; I221-I236 PolarHBondContact O-N 2.96Å; I221-P247 HydrophobicContact CD1-CB 3.84Å; I221-P247 HydrophobicContact CD1-CG 3.35Å
222	V	97.6	Very high	91.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.4	170.5	-174.7	0	0	0	0	108.5	S208 A209 I213 L233 Q234 V235 F272 L285 F306	S208-V222 CarbonylContact C-O 3.57Å; S208-V222 WeakPolarHBondContact CA-O 3.34Å; A209-V222 PolarHBondContact N-O 2.91Å; A209-V222 PolarHBondContact O-N 3.19Å; I213-V222 HydrophobicContact CD1-CG2 3.65Å; V222-L233 HydrophobicContact CG1-CB 4.38Å; V222-L233 HydrophobicContact CG1-CD2 4.28Å; V222-Q234 WeakPolarHBondContact CA-O 3.37Å; V222-V235 HydrophobicContact CG1-CG2 4.27Å; V222-V235 HydrophobicContact CG2-CG2 4.3Å; V222-F272 HydrophobicContact CB-CE2 4.31Å; V222-F272 HydrophobicContact CB-CZ 4.19Å; V222-F272 HydrophobicContact CG1-CE2 4.16Å; V222-F272 HydrophobicContact CG1-CZ 3.92Å; V222-L285 HydrophobicContact CG1-CD1 4Å; V222-F306 HydrophobicContact CG2-CZ 4.14Å
223	I	97.7	Very high	91.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133.4	-179.3	-59.5	157	0	0	0	109.3	Y174 W202 I221 V225 L233 Q234 I236	Y174-I223 HydrophobicContact CE1-CD1 3.99Å; W202-I223 HydrophobicContact CD2-CG2 3.65Å; W202-I223 HydrophobicContact CE3-CD1 4.05Å; W202-I223 HydrophobicContact CE3-CG2 4.03Å; W202-I223 HydrophobicContact CG-CG2 4.02Å; W202-I223 HydrophobicContact CH2-CD1 3.79Å; W202-I223 HydrophobicContact CH2-CG1 3.89Å; W202-I223 HydrophobicContact CH2-CG2 4.44Å; W202-I223 HydrophobicContact CZ2-CD1 4.46Å; W202-I223 HydrophobicContact CZ2-CG1 4.12Å; W202-I223 HydrophobicContact CZ2-CG2 4.1Å; W202-I223 HydrophobicContact CZ3-CD1 3.54Å; W202-I223 HydrophobicContact CZ3-CG1 4.11Å; W202-I223 HydrophobicContact CZ3-CG2 4.39Å; I221-I223 HydrophobicContact CG2-CD1 3.59Å; I221-I223 HydrophobicContact CG2-CG1 3.62Å; I223-V225 HydrophobicContact CB-CG1 4.31Å; I223-V225 HydrophobicContact CG2-CG1 3.78Å; I223-V225 PolarHBondContact O-N 3.41Å; I223-L233 CarbonylContact O-C 3.49Å; I223-L233 WeakPolarHBondContact O-CA 3.32Å; I223-Q234 HydrophobicContact CB-CB 4.46Å; I223-Q234 PolarHBondContact N-O 2.8Å; I223-Q234 PolarHBondContact O-N 3.09Å; I223-I236 HydrophobicContact CD1-CD1 4.25Å
224	L	96.4	Very high	91.8	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121.9	164	-175.7	73.2	0	0	0	109.3	S203 L205 Y207 Q231 L233 L257 L269	S203-L224 WeakPolarHBondContact CB-O 3.38Å; S203-L224 PolarHBondContact N-O 2.92Å; L205-L224 HydrophobicContact CB-CD2 4.13Å; L205-L224 HydrophobicContact CD1-CD2 3.83Å; L205-L224 HydrophobicContact CG-CD2 4.48Å; Y207-L224 HydrophobicContact CD2-CD2 3.86Å; Y207-L224 HydrophobicContact CG-CD2 4.35Å; Y207-L224 PolarHBondContact O-N 3.07Å; L224-Q231 HydrophobicContact CD1-CB 4.19Å; L224-L233 HydrophobicContact CD1-CD2 4.14Å; L224-L257 HydrophobicContact CD1-CD1 4.1Å; L224-L269 HydrophobicContact CD1-CD2 3.7Å; L224-L269 HydrophobicContact CD2-CD2 3.46Å; L224-L269 VanDerWaalsContact CD2-CD2 3.46Å; L224-L269 HydrophobicContact CG-CD2 4.24Å
225	V	96.3	Very high	92.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.3	-179.6	-64.4	0	0	0	0	111.7	P200 S201 I223 Q231 Q232 Q234 L254	P200-V225 HydrophobicContact CB-CB 3.73Å; P200-V225 HydrophobicContact CB-CG2 3.64Å; P200-V225 HydrophobicContact CG-CG2 4.4Å; S201-V225 CarbonylContact O-C 3.41Å; S201-V225 WeakPolarHBondContact O-CA 3.46Å; S201-V225 VanDerWaalsContact O-CB 3.31Å; S201-V225 WeakPolarHBondContact O-CB 3.42Å; I223-V225 HydrophobicContact CB-CG1 4.31Å; I223-V225 HydrophobicContact CG2-CG1 3.78Å; I223-V225 PolarHBondContact O-N 3.41Å; V225-Q231 WeakPolarHBondContact O-CA 3.46Å; V225-Q232 HydrophobicContact CG2-CB 4.11Å; V225-Q232 WeakPolarHBondContact CG2-O 3.44Å; V225-Q232 PolarHBondContact N-O 2.86Å; V225-Q232 PolarHBondContact O-N 2.74Å; V225-Q234 HydrophobicContact CG1-CB 3.8Å; V225-Q234 HydrophobicContact CG2-CB 4Å; V225-L254 HydrophobicContact CG2-CD2 4.14Å
226	D	92.8	Very high	92.6	Very high	44 Å²	44	35 Å²	35	24%	0.235	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.4	173.6	-61	-30	0	0	0	108.6	S201 S203 R204 Q231	S201-D226 PolarHBondContact N-O 2.9Å; S201-D226 VanDerWaalsContact N-O 3.09Å; S201-D226 PolarHBondContact O-N 2.81Å; S203-D226 VanDerWaalsContact CA-OD2 3.29Å; S203-D226 WeakPolarHBondContact CA-OD2 3.3Å; S203-D226 WeakPolarHBondContact CB-OD1 3.26Å; S203-D226 PolarHBondContact OG-OD1 3.12Å; S203-D226 PolarHBondContact OG-OD2 2.8Å; R204-D226 PolarHBondContact N-OD2 3.18Å; D226-Q231 WeakPolarHBondContact OD1-CG 3.3Å; D226-Q231 PolarHBondContact OD1-NE2 3.27Å
227	N	90	Very high	92.9	Very high	45 Å²	45	35.4 Å²	35.4	24%	0.241	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	97.6	177.5	-169.4	5.7	0	0	0	109.8	P200 N229 R230 Q232	P200-N227 HydrophobicContact CB-CB 3.83Å; P200-N227 HydrophobicContact CG-CB 3.77Å; N227-N229 PolarHBondContact O-N 3.11Å; N227-R230 PolarHBondContact N-O 2.78Å; N227-R230 PolarHBondContact O-N 2.89Å; N227-Q232 PolarHBondContact ND2-OE1 3.29Å
228	E	84.5	Confident	93.2	Very high	176 Å²	176	35.1 Å²	35.1	82%	0.822	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	-100.7	-173.4	-56.7	178.3	163.5	0	0	111.9
229	N	80.3	Confident	93.2	Very high	164 Å²	164	38 Å²	38	88%	0.877	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.3	10.2	-178.3	-64.2	-36.8	0	0	0	113.2	N227	N227-N229 PolarHBondContact O-N 3.11Å
230	R	85.8	Confident	93	Very high	141 Å²	141	40.9 Å²	40.9	53%	0.532	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.4	-176.6	-64.6	-173.2	-74.7	155.6	-4.8	110.8	N227 D256	N227-R230 PolarHBondContact N-O 2.78Å; N227-R230 PolarHBondContact O-N 2.89Å; R230-D256 IonicContact NH1-OD1 3.8Å; R230-D256 PolarHBondContact NH1-OD1 2.89Å; R230-D256 IonicContact NH1-OD2 2.65Å
231	Q	90.2	Very high	92.9	Very high	50 Å²	50	45.5 Å²	45.5	23%	0.234	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.3	171.5	-67	-170.5	-47.7	0	0	109.7	S203 L224 V225 D226 L257	S203-Q231 PolarHBondContact OG-NE2 3.22Å; L224-Q231 HydrophobicContact CD1-CB 4.19Å; V225-Q231 WeakPolarHBondContact O-CA 3.46Å; D226-Q231 WeakPolarHBondContact OD1-CG 3.3Å; D226-Q231 PolarHBondContact OD1-NE2 3.27Å; Q231-L257 HydrophobicContact CB-CD1 3.81Å; Q231-L257 WeakPolarHBondContact O-CG 3.39Å
232	Q	92.2	Very high	92.7	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.056	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.6	-178.4	-59.1	-178	-73.5	0	0	109.5	V225 N227 I255 D256	V225-Q232 HydrophobicContact CG2-CB 4.11Å; V225-Q232 WeakPolarHBondContact CG2-O 3.44Å; V225-Q232 PolarHBondContact N-O 2.86Å; V225-Q232 PolarHBondContact O-N 2.74Å; N227-Q232 PolarHBondContact ND2-OE1 3.29Å; Q232-I255 CarbonylContact C-O 3.55Å; Q232-I255 VanDerWaalsContact CA-O 3.29Å; Q232-I255 WeakPolarHBondContact CA-O 3.34Å; Q232-I255 WeakPolarHBondContact CB-O 3.5Å; Q232-D256 PolarHBondContact NE2-OD1 3.45Å
233	L	94.4	Very high	92.5	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.8	164.6	-59.3	176.7	0	0	0	108.6	V222 I223 L224 V235 L254 I255 L257 F272 L285 W349	V222-L233 HydrophobicContact CG1-CB 4.38Å; V222-L233 HydrophobicContact CG1-CD2 4.28Å; I223-L233 CarbonylContact O-C 3.49Å; I223-L233 WeakPolarHBondContact O-CA 3.32Å; L224-L233 HydrophobicContact CD1-CD2 4.14Å; L233-V235 HydrophobicContact CB-CG2 4.5Å; L233-L254 WeakPolarHBondContact O-CA 3.34Å; L233-I255 HydrophobicContact CB-CB 4.26Å; L233-I255 PolarHBondContact N-O 3.49Å; L233-I255 PolarHBondContact O-N 2.74Å; L233-L257 HydrophobicContact CD1-CD2 4.44Å; L233-L257 HydrophobicContact CD2-CD2 4.49Å; L233-L257 HydrophobicContact CG-CD2 4.01Å; L233-F272 HydrophobicContact CD2-CD1 4.29Å; L233-F272 HydrophobicContact CD2-CE1 4.3Å; L233-L285 HydrophobicContact CD1-CD1 3.69Å; L233-L285 HydrophobicContact CD1-CD2 4.23Å; L233-W349 HydrophobicContact CD1-CH2 3.99Å; L233-W349 HydrophobicContact CD1-CZ2 3.66Å; L233-W349 HydrophobicContact CG-CZ2 4.46Å
234	Q	95.6	Very high	92.2	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.019	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	109.9	166.1	177.5	170.9	66.6	0	0	108.1	Y197 V222 I223 V225 I236 A252 E253 L254	Y197-Q234 PolarHBondContact OH-NE2 3.28Å; V222-Q234 WeakPolarHBondContact CA-O 3.37Å; I223-Q234 HydrophobicContact CB-CB 4.46Å; I223-Q234 PolarHBondContact N-O 2.8Å; I223-Q234 PolarHBondContact O-N 3.09Å; V225-Q234 HydrophobicContact CG1-CB 3.8Å; V225-Q234 HydrophobicContact CG2-CB 4Å; Q234-I236 HydrophobicContact CG-CD1 4.43Å; Q234-I236 HydrophobicContact CG-CG1 4.07Å; Q234-A252 HydrophobicContact CG-CB 3.84Å; Q234-E253 WeakPolarHBondContact CA-O 3.44Å; Q234-L254 HydrophobicContact CB-CD2 3.87Å; Q234-L254 HydrophobicContact CG-CD2 4.2Å
235	V	95.4	Very high	92.1	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.024	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	118.7	177.5	179	0	0	0	0	108.8	I213 V222 L233 L237 A252 E253 I255 F306	I213-V235 HydrophobicContact CD1-CG1 3.76Å; V222-V235 HydrophobicContact CG1-CG2 4.27Å; V222-V235 HydrophobicContact CG2-CG2 4.3Å; L233-V235 HydrophobicContact CB-CG2 4.5Å; V235-L237 HydrophobicContact CG1-CD2 3.95Å; V235-L237 HydrophobicContact CG1-CG 4.31Å; V235-A252 CarbonylContact O-C 3.58Å; V235-A252 WeakPolarHBondContact O-CA 3.46Å; V235-E253 HydrophobicContact CB-CB 4.46Å; V235-E253 PolarHBondContact N-O 3.3Å; V235-E253 PolarHBondContact O-N 2.93Å; V235-I255 HydrophobicContact CB-CD1 4.37Å; V235-I255 HydrophobicContact CG2-CD1 3.47Å; V235-I255 VanDerWaalsContact CG2-CD1 3.47Å; V235-F306 HydrophobicContact CG2-CE1 4.1Å
236	I	96	Very high	92.1	Very high	2 Å²	2	53 Å²	53	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	95.8	179.5	-47.6	170.3	0	0	0	107	I221 I223 Q234 R238 P247 V249 A252	I221-I236 HydrophobicContact CB-CB 4.26Å; I221-I236 HydrophobicContact CB-CD1 4.44Å; I221-I236 HydrophobicContact CG2-CD1 4.25Å; I221-I236 PolarHBondContact N-O 2.93Å; I221-I236 VanDerWaalsContact N-O 3.16Å; I221-I236 PolarHBondContact O-N 2.96Å; I223-I236 HydrophobicContact CD1-CD1 4.25Å; Q234-I236 HydrophobicContact CG-CD1 4.43Å; Q234-I236 HydrophobicContact CG-CG1 4.07Å; I236-R238 PolarHBondContact O-N 2.82Å; I236-P247 HydrophobicContact CD1-CB 3.97Å; I236-P247 HydrophobicContact CG2-CB 3.96Å; I236-V249 HydrophobicContact CD1-CG1 3.91Å; I236-A252 HydrophobicContact CG1-CB 3.84Å
237	L	94	Very high	92.3	Very high	79 Å²	79	51.4 Å²	51.4	41%	0.414	28%	0.279	S	S	.	.			trans	-70.9	125.3	171.6	-61.4	-176.2	0	0	0	109.1	I213 N214 D220 V235	I213-L237 HydrophobicContact CD1-CD2 4.15Å; I213-L237 HydrophobicContact CG1-CD2 4.22Å; N214-L237 HydrophobicContact CB-CD2 4.31Å; D220-L237 HydrophobicContact CB-CD2 4.31Å; D220-L237 VanDerWaalsContact OD1-CA 3.27Å; D220-L237 WeakPolarHBondContact OD1-CA 3.36Å; V235-L237 HydrophobicContact CG1-CD2 3.95Å; V235-L237 HydrophobicContact CG1-CG 4.31Å
238	R	94	Very high	92.6	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.015	29%	0.287	C	S	.	.			trans	-99	165.1	179.6	-66.5	-174.9	62.1	-135.9	7.7	109.2	L165 V218 P219 D220 I236	L165-R238 PolarHBondContact O-NH2 3.45Å; V218-R238 HydrophobicContact CG1-CB 3.75Å; P219-R238 WeakPolarHBondContact O-CD 3.37Å; P219-R238 PolarHBondContact O-NH1 2.76Å; P219-R238 VanDerWaalsContact O-NH1 3.15Å; D220-R238 PolarHBondContact OD1-N 3.27Å; I236-R238 PolarHBondContact O-N 2.82Å
239	T	93.1	Very high	93.1	Very high	67 Å²	67	46.3 Å²	46.3	41%	0.411	26%	0.258	S	S	.	.			trans	-137.8	161.2	176.9	60.9	0	0	0	0	109.6	S241 S242	T239-S241 PolarHBondContact O-N 2.81Å; T239-S241 VanDerWaalsContact O-N 3.16Å; T239-S241 PolarHBondContact OG1-OG 3.16Å; T239-S242 PolarHBondContact N-OG 2.76Å; T239-S242 WeakPolarHBondContact O-CB 3.43Å; T239-S242 PolarHBondContact O-N 2.9Å; T239-S242 PolarHBondContact O-OG 3.32Å
240	Q	92.9	Very high	93.6	Very high	61 Å²	61	42.6 Å²	42.6	29%	0.285	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-55.1	-35.6	176.4	-165.1	170.7	46.8	0	0	112.6	S242 I243 S579 K580	Q240-S242 VanDerWaalsContact C-N 3.29Å; Q240-S242 PolarHBondContact O-N 3.24Å; Q240-I243 HydrophobicContact CB-CD1 4.49Å; Q240-I243 HydrophobicContact CG-CD1 4.01Å; Q240-I243 VanDerWaalsContact O-CD1 3.32Å; Q240-I243 WeakPolarHBondContact O-CD1 3.02Å; Q240-I243 WeakPolarHBondContact O-CG1 3.28Å; Q240-I243 PolarHBondContact O-N 3.21Å; Q240-S579 VanDerWaalsContact CD-O 3.28Å; Q240-S579 WeakPolarHBondContact CG-O 3.41Å; Q240-S579 PolarHBondContact NE2-O 3Å; Q240-K580 WeakPolarHBondContact CG-O 3.28Å
241	S	93.1	Very high	93.9	Very high	98 Å²	98	42.4 Å²	42.4	69%	0.685	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-67.4	-25.1	175.5	42.9	0	0	0	0	114.5	T239	T239-S241 PolarHBondContact O-N 2.81Å; T239-S241 VanDerWaalsContact O-N 3.16Å; T239-S241 PolarHBondContact OG1-OG 3.16Å
242	S	93.8	Very high	94	Very high	23 Å²	23	41 Å²	41	16%	0.161	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-84.6	-6	-177.9	72.7	0	0	0	0	114.2	T239 Q240 G244 S245	T239-S242 PolarHBondContact N-OG 2.76Å; T239-S242 WeakPolarHBondContact O-CB 3.43Å; T239-S242 PolarHBondContact O-N 2.9Å; T239-S242 PolarHBondContact O-OG 3.32Å; Q240-S242 VanDerWaalsContact C-N 3.29Å; Q240-S242 PolarHBondContact O-N 3.24Å; S242-G244 PolarHBondContact O-N 3.06Å; S242-S245 PolarHBondContact O-N 3.09Å; S242-S245 PolarHBondContact O-OG 3.28Å
243	I	94.6	Very high	94	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.031	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	134.8	-179.2	-66.1	163.7	0	0	0	111	N166 Q240 S245 P578 K580	N166-I243 VanDerWaalsContact O-CG2 3.27Å; N166-I243 WeakPolarHBondContact O-CG2 3.33Å; Q240-I243 HydrophobicContact CB-CD1 4.49Å; Q240-I243 HydrophobicContact CG-CD1 4.01Å; Q240-I243 VanDerWaalsContact O-CD1 3.32Å; Q240-I243 WeakPolarHBondContact O-CD1 3.02Å; Q240-I243 WeakPolarHBondContact O-CG1 3.28Å; Q240-I243 PolarHBondContact O-N 3.21Å; I243-S245 PolarHBondContact O-N 3.01Å; I243-P578 HydrophobicContact CD1-CG 4.23Å; I243-P578 WeakPolarHBondContact CD1-O 3.14Å; I243-K580 HydrophobicContact CB-CG 4.06Å; I243-K580 WeakPolarHBondContact O-CE 3.36Å; I243-K580 PolarHBondContact O-NZ 2.73Å
244	G	90.3	Very high	93.8	Very high	35 Å²	35	47.5 Å²	47.5	36%	0.361	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	1	-178.7	0	0	0	0	0	115.2	L165 S242	L165-G244 PolarHBondContact O-N 3.11Å; S242-G244 PolarHBondContact O-N 3.06Å
245	S	94.4	Very high	93.5	Very high	56 Å²	56	47.9 Å²	47.9	39%	0.392	29%	0.292	S	S	.	.	S	Bend	trans	-99.5	161.3	168.9	69.1	0	0	0	0	111.1	S242 I243	S242-S245 PolarHBondContact O-N 3.09Å; S242-S245 PolarHBondContact O-OG 3.28Å; I243-S245 PolarHBondContact O-N 3.01Å
246	L	97.2	Very high	93.1	Very high	41 Å²	41	51.1 Å²	51.1	22%	0.215	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-59.4	142.8	170.5	-80.6	169.6	0	0	0	109.9	Y174 A183 L193 A195 D248	Y174-L246 HydrophobicContact CE2-CD2 4.35Å; A183-L246 HydrophobicContact CB-CD2 3.56Å; L193-L246 HydrophobicContact CB-CD1 4.25Å; L193-L246 HydrophobicContact CB-CD2 4.13Å; L193-L246 HydrophobicContact CB-CG 4.02Å; A195-L246 HydrophobicContact CB-CD1 3.73Å; L246-D248 PolarHBondContact O-N 3.47Å
247	P	97.5	Very high	92.7	Very high	9 Å²	9	51.5 Å²	51.5	6%	0.058	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-53.8	133.7	174.9	-26.9	36.2	0	0	0	112	L165 Y174 I221 I236 V249	L165-P247 HydrophobicContact CD1-CG 4.46Å; L165-P247 HydrophobicContact CD2-CG 4.11Å; Y174-P247 HydrophobicContact CD1-CG 4.43Å; Y174-P247 HydrophobicContact CD2-CG 4.33Å; Y174-P247 HydrophobicContact CE1-CB 4.45Å; Y174-P247 HydrophobicContact CE1-CG 3.94Å; Y174-P247 HydrophobicContact CE2-CG 3.87Å; I221-P247 HydrophobicContact CD1-CB 3.84Å; I221-P247 HydrophobicContact CD1-CG 3.35Å; I236-P247 HydrophobicContact CD1-CB 3.97Å; I236-P247 HydrophobicContact CG2-CB 3.96Å; P247-V249 VanDerWaalsContact C-N 3.34Å; P247-V249 PolarHBondContact O-N 3.49Å
248	D	94.9	Very high	91.7	Very high	77 Å²	77	49.9 Å²	49.9	41%	0.412	30%	0.303	S	S	.	.			trans	-77.5	82.5	-175.6	-174.8	1.9	0	0	0	111.7	L246 A250 N251 A252	L246-D248 PolarHBondContact O-N 3.47Å; D248-A250 PolarHBondContact O-N 2.74Å; D248-A250 WeakPolarHBondContact OD1-CB 3.38Å; D248-A250 PolarHBondContact OD1-N 3.17Å; D248-A250 VanDerWaalsContact OD1-N 3.16Å; D248-N251 PolarHBondContact O-N 3.32Å; D248-N251 PolarHBondContact OD2-ND2 2.81Å; D248-A252 PolarHBondContact O-N 3.37Å
249	V	94.8	Very high	90.5	Very high	37 Å²	37	54.3 Å²	54.3	22%	0.224	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.4	178.9	-67.3	0	0	0	0	114.2	R181 Y197 I236 P247	R181-V249 HydrophobicContact CG-CG1 4.09Å; Y197-V249 HydrophobicContact CD2-CB 4.06Å; Y197-V249 HydrophobicContact CD2-CG1 4.48Å; Y197-V249 HydrophobicContact CD2-CG2 3.68Å; Y197-V249 HydrophobicContact CE2-CB 3.92Å; Y197-V249 HydrophobicContact CE2-CG1 4.37Å; Y197-V249 HydrophobicContact CE2-CG2 4.05Å; I236-V249 HydrophobicContact CD1-CG1 3.91Å; P247-V249 VanDerWaalsContact C-N 3.34Å; P247-V249 PolarHBondContact O-N 3.49Å
250	A	92.1	Very high	89.3	Confident	87 Å²	87	58.7 Å²	58.7	72%	0.719	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-30.4	178.6	0	0	0	0	0	112.1	D248	D248-A250 PolarHBondContact O-N 2.74Å; D248-A250 WeakPolarHBondContact OD1-CB 3.38Å; D248-A250 PolarHBondContact OD1-N 3.17Å; D248-A250 VanDerWaalsContact OD1-N 3.16Å
251	N	90.7	Very high	88.2	Confident	136 Å²	136	56.3 Å²	56.3	73%	0.727	33%	0.334	S	S	*	.	S	Bend	trans	-99	9	176.4	-71.1	-47.7	0	0	0	113.1	D248	D248-N251 PolarHBondContact O-N 3.32Å; D248-N251 PolarHBondContact OD2-ND2 2.81Å
252	A	93.3	Very high	87.1	Confident	21 Å²	21	53.7 Å²	53.7	17%	0.174	31%	0.312	C	S	.	.			trans	-66	138.8	178	0	0	0	0	0	111.7	Q234 V235 I236 D248	Q234-A252 HydrophobicContact CG-CB 3.84Å; V235-A252 CarbonylContact O-C 3.58Å; V235-A252 WeakPolarHBondContact O-CA 3.46Å; I236-A252 HydrophobicContact CG1-CB 3.84Å; D248-A252 PolarHBondContact O-N 3.37Å
253	E	91.3	Very high	85.8	Confident	78 Å²	78	56.2 Å²	56.2	36%	0.364	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.8	171.3	-171.7	175.4	-177.3	0	0	109.6	Q234 V235 I255	Q234-E253 WeakPolarHBondContact CA-O 3.44Å; V235-E253 HydrophobicContact CB-CB 4.46Å; V235-E253 PolarHBondContact N-O 3.3Å; V235-E253 PolarHBondContact O-N 2.93Å; E253-I255 HydrophobicContact CG-CG1 4.11Å
254	L	91.7	Very high	84.6	Confident	72 Å²	72	58.6 Å²	58.6	38%	0.377	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	110.2	171.6	-67.4	176.9	0	0	0	108.9	P200 V225 L233 Q234	P200-L254 HydrophobicContact CG-CD1 4.02Å; P200-L254 HydrophobicContact CG-CD2 4.31Å; V225-L254 HydrophobicContact CG2-CD2 4.14Å; L233-L254 WeakPolarHBondContact O-CA 3.34Å; Q234-L254 HydrophobicContact CB-CD2 3.87Å; Q234-L254 HydrophobicContact CG-CD2 4.2Å
255	I	89.2	Confident	83.8	Confident	13 Å²	13	63.8 Å²	63.8	7%	0.067	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	117	178.9	-58.7	159	0	0	0	108	Q232 L233 V235 E253 L257 Y304	Q232-I255 CarbonylContact C-O 3.55Å; Q232-I255 VanDerWaalsContact CA-O 3.29Å; Q232-I255 WeakPolarHBondContact CA-O 3.34Å; Q232-I255 WeakPolarHBondContact CB-O 3.5Å; L233-I255 HydrophobicContact CB-CB 4.26Å; L233-I255 PolarHBondContact N-O 3.49Å; L233-I255 PolarHBondContact O-N 2.74Å; V235-I255 HydrophobicContact CB-CD1 4.37Å; V235-I255 HydrophobicContact CG2-CD1 3.47Å; V235-I255 VanDerWaalsContact CG2-CD1 3.47Å; E253-I255 HydrophobicContact CG-CG1 4.11Å; I255-L257 PolarHBondContact O-N 3.46Å; I255-Y304 HydrophobicContact CD1-CE1 3.78Å; I255-Y304 HydrophobicContact CD1-CE2 4.22Å; I255-Y304 VanDerWaalsContact CD1-CZ 3.48Å; I255-Y304 WeakPolarHBondContact CD1-OH 3.39Å; I255-Y304 HydrophobicContact CG2-CD2 4.41Å; I255-Y304 HydrophobicContact CG2-CE2 3.72Å
256	D	87.1	Confident	83.1	Confident	72 Å²	72	67.2 Å²	67.2	39%	0.385	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	131	168.9	-76.5	-40.3	0	0	0	109.8	R230 Q232 D258 W349	R230-D256 IonicContact NH1-OD1 3.8Å; R230-D256 PolarHBondContact NH1-OD1 2.89Å; R230-D256 IonicContact NH1-OD2 2.65Å; Q232-D256 PolarHBondContact NE2-OD1 3.45Å; D256-D258 PolarHBondContact O-N 3.14Å; D256-W349 PolarHBondContact O-NE1 2.81Å
257	L	86.5	Confident	82.7	Confident	9 Å²	9	66.7 Å²	66.7	5%	0.047	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-62.6	133	160.6	-58.8	-178.1	0	0	0	107	L224 Q231 L233 I255 P259 L262 L269 L287 W349	L224-L257 HydrophobicContact CD1-CD1 4.1Å; Q231-L257 HydrophobicContact CB-CD1 3.81Å; Q231-L257 WeakPolarHBondContact O-CG 3.39Å; L233-L257 HydrophobicContact CD1-CD2 4.44Å; L233-L257 HydrophobicContact CD2-CD2 4.49Å; L233-L257 HydrophobicContact CG-CD2 4.01Å; I255-L257 PolarHBondContact O-N 3.46Å; L257-P259 VanDerWaalsContact O-CD 3.31Å; L257-P259 WeakPolarHBondContact O-CD 3.39Å; L257-L262 HydrophobicContact CB-CD1 3.79Å; L257-L262 HydrophobicContact CB-CG 4.5Å; L257-L262 HydrophobicContact CD1-CD1 3.53Å; L257-L262 HydrophobicContact CG-CD1 4.27Å; L257-L269 HydrophobicContact CD1-CD1 4.32Å; L257-L269 HydrophobicContact CD1-CD2 4.02Å; L257-L287 HydrophobicContact CD2-CD2 3.82Å; L257-W349 HydrophobicContact CD2-CH2 4.15Å; L257-W349 HydrophobicContact CD2-CZ2 3.44Å; L257-W349 VanDerWaalsContact CD2-CZ2 3.44Å
258	D	73.9	Confident	82.5	Confident	46 Å²	46	67.2 Å²	67.2	25%	0.246	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-52.4	122.1	-177	168.7	6.5	0	0	0	109	D256 K260 L261 W349	D256-D258 PolarHBondContact O-N 3.14Å; D258-K260 PolarHBondContact O-N 2.96Å; D258-K260 WeakPolarHBondContact OD1-CB 3.19Å; D258-K260 WeakPolarHBondContact OD1-CG 3.36Å; D258-K260 PolarHBondContact OD1-N 2.86Å; D258-L261 HydrophobicContact CB-CD1 3.8Å; D258-L261 HydrophobicContact CB-CG 3.76Å; D258-L261 WeakPolarHBondContact O-CA 3.18Å; D258-L261 WeakPolarHBondContact O-CB 3.01Å; D258-L261 PolarHBondContact O-N 3.11Å; D258-W349 HydrophobicContact CB-CB 4.11Å; D258-W349 HydrophobicContact CB-CG 4.26Å
259	P	67.4	Low	82.4	Confident	96 Å²	96	63.8 Å²	63.8	62%	0.623	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.9	-178.9	-27.4	34.6	0	0	0	113.7	L257 L261 L262	L257-P259 VanDerWaalsContact O-CD 3.31Å; L257-P259 WeakPolarHBondContact O-CD 3.39Å; P259-L261 PolarHBondContact O-N 2.99Å; P259-L262 CarbonylContact O-C 3.54Å; P259-L262 PolarHBondContact O-N 3.27Å
260	K	67.9	Low	82.4	Confident	160 Å²	160	62 Å²	62	70%	0.696	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-21.7	172.9	-62.8	176.4	-178.9	173.4	0	113.1	D258 R291	D258-K260 PolarHBondContact O-N 2.96Å; D258-K260 WeakPolarHBondContact OD1-CB 3.19Å; D258-K260 WeakPolarHBondContact OD1-CG 3.36Å; D258-K260 PolarHBondContact OD1-N 2.86Å; K260-R291 WeakPolarHBondContact O-CD 3.43Å
261	L	70.4	Confident	82.6	Confident	10 Å²	10	58 Å²	58	5%	0.052	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-30	175.7	-55.7	-179.8	0	0	0	112	D258 P259 V289 R291 N302 W349	D258-L261 HydrophobicContact CB-CD1 3.8Å; D258-L261 HydrophobicContact CB-CG 3.76Å; D258-L261 WeakPolarHBondContact O-CA 3.18Å; D258-L261 WeakPolarHBondContact O-CB 3.01Å; D258-L261 PolarHBondContact O-N 3.11Å; P259-L261 PolarHBondContact O-N 2.99Å; L261-V289 HydrophobicContact CB-CG2 4.26Å; L261-V289 HydrophobicContact CD2-CG2 4.36Å; L261-R291 WeakPolarHBondContact O-CG 3.23Å; L261-N302 HydrophobicContact CD1-CB 4.02Å; L261-N302 VanDerWaalsContact CD2-CG 3.47Å; L261-N302 WeakPolarHBondContact CD2-ND2 3.39Å; L261-N302 WeakPolarHBondContact CD2-OD1 3.42Å; L261-W349 HydrophobicContact CD1-CD2 4.37Å; L261-W349 HydrophobicContact CD1-CE3 4.46Å; L261-W349 HydrophobicContact CD1-CG 4.41Å
262	L	71.1	Confident	82.9	Confident	44 Å²	44	51.7 Å²	51.7	23%	0.23	29%	0.288	C	S	.	.			trans	-124	70.1	-176.6	-60.4	-179.4	0	0	0	111	L257 P259	L257-L262 HydrophobicContact CB-CD1 3.79Å; L257-L262 HydrophobicContact CB-CG 4.5Å; L257-L262 HydrophobicContact CD1-CD1 3.53Å; L257-L262 HydrophobicContact CG-CD1 4.27Å; P259-L262 CarbonylContact O-C 3.54Å; P259-L262 PolarHBondContact O-N 3.27Å
263	S	65.1	Low	83	Confident	76 Å²	76	51 Å²	51	53%	0.531	28%	0.282	S	S	.	.			trans	-84.4	-13.3	-174.9	64.4	0	0	0	0	114.3	R291	S263-R291 WeakPolarHBondContact OG-CD 3.35Å
264	T	70.2	Confident	83.2	Confident	55 Å²	55	47.6 Å²	47.6	34%	0.337	27%	0.266	S	S	.	.	S	Bend	trans	-140.4	156.3	-174.8	85.9	0	0	0	0	113.1	Q266 S267 R291	T264-Q266 PolarHBondContact O-N 2.73Å; T264-Q266 VanDerWaalsContact O-N 3.08Å; T264-Q266 PolarHBondContact OG1-N 3.42Å; T264-Q266 VanDerWaalsContact OG1-N 3.08Å; T264-S267 PolarHBondContact N-OG 2.96Å; T264-S267 WeakPolarHBondContact O-CB 3.5Å; T264-S267 PolarHBondContact O-N 2.82Å; T264-S267 PolarHBondContact O-OG 2.78Å; T264-S267 PolarHBondContact OG1-N 3.11Å; T264-R291 PolarHBondContact OG1-O 3.39Å
265	P	72.9	Confident	83.4	Confident	144 Å²	144	45.2 Å²	45.2	94%	0.935	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-12.3	170	-20.8	32.2	0	0	0	114.4
266	Q	79.6	Confident	83.6	Confident	128 Å²	128	44.6 Å²	44.6	60%	0.598	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	6.8	178.2	-61.5	-176.8	-15.5	0	0	112.4	T264 D292 A293	T264-Q266 PolarHBondContact O-N 2.73Å; T264-Q266 VanDerWaalsContact O-N 3.08Å; T264-Q266 PolarHBondContact OG1-N 3.42Å; T264-Q266 VanDerWaalsContact OG1-N 3.08Å; Q266-D292 CarbonylContact O-C 3.55Å; Q266-D292 VanDerWaalsContact O-CA 3.27Å; Q266-D292 WeakPolarHBondContact O-CA 3.43Å; Q266-A293 PolarHBondContact O-N 2.87Å; Q266-A293 VanDerWaalsContact O-N 3.14Å
267	S	89.4	Confident	83.9	Confident	30 Å²	30	41.2 Å²	41.2	21%	0.21	23%	0.232	C	C	.	.			trans	-62.9	140.1	177.8	-51.7	0	0	0	0	110.1	T264 C290 R291	T264-S267 PolarHBondContact N-OG 2.96Å; T264-S267 WeakPolarHBondContact O-CB 3.5Å; T264-S267 PolarHBondContact O-N 2.82Å; T264-S267 PolarHBondContact O-OG 2.78Å; T264-S267 PolarHBondContact OG1-N 3.11Å; S267-C290 CarbonylContact C-O 3.53Å; S267-C290 WeakPolarHBondContact CA-O 3.14Å; S267-C290 WeakPolarHBondContact CB-O 3.33Å; S267-R291 PolarHBondContact OG-O 2.85Å
268	V	92.6	Very high	84	Confident	20 Å²	20	42.4 Å²	42.4	12%	0.121	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.9	179.9	-172.3	0	0	0	0	108	V289 C290 S384 L385	V268-V289 CarbonylContact O-C 3.57Å; V268-V289 WeakPolarHBondContact O-CA 3.41Å; V268-C290 HydrophobicContact CB-CB 4.14Å; V268-C290 PolarHBondContact N-O 2.66Å; V268-C290 PolarHBondContact O-N 2.74Å; V268-S384 WeakPolarHBondContact CG1-O 3.26Å; V268-L385 HydrophobicContact CB-CD2 4.16Å; V268-L385 HydrophobicContact CG1-CD2 3.62Å; V268-L385 HydrophobicContact CG1-CG 3.95Å
269	L	93.8	Very high	84.7	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	115	-179.8	-172	63.4	0	0	0	108.8	L205 Y207 L224 L257 L287 V289 S384	L205-L269 HydrophobicContact CD1-CB 4.12Å; L205-L269 HydrophobicContact CD1-CD2 4.2Å; Y207-L269 HydrophobicContact CE2-CG 4.44Å; Y207-L269 PolarHBondContact OH-O 2.95Å; L224-L269 HydrophobicContact CD1-CD2 3.7Å; L224-L269 HydrophobicContact CD2-CD2 3.46Å; L224-L269 VanDerWaalsContact CD2-CD2 3.46Å; L224-L269 HydrophobicContact CG-CD2 4.24Å; L257-L269 HydrophobicContact CD1-CD1 4.32Å; L257-L269 HydrophobicContact CD1-CD2 4.02Å; L269-L287 HydrophobicContact CD1-CD1 3.46Å; L269-L287 VanDerWaalsContact CD1-CD1 3.46Å; L269-L287 HydrophobicContact CD1-CD2 3.72Å; L269-L287 HydrophobicContact CD1-CG 3.82Å; L269-L287 HydrophobicContact CG-CD1 4.16Å; L269-V289 HydrophobicContact CD1-CG1 3.69Å; L269-S384 WeakPolarHBondContact O-CB 3.27Å
270	G	95.1	Very high	85.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-74.9	168.1	170.4	0	0	0	0	0	111.8	Y207 F272 L287 P288 S383	Y207-G270 VanDerWaalsContact CE2-C 3.41Å; Y207-G270 WeakPolarHBondContact CE2-O 3.43Å; G270-F272 PolarHBondContact O-N 3.1Å; G270-L287 WeakPolarHBondContact O-CD1 3.42Å; G270-P288 WeakPolarHBondContact CA-O 3.44Å; G270-P288 PolarHBondContact N-O 2.83Å; G270-S383 WeakPolarHBondContact CA-OG 3.44Å
271	L	96.2	Very high	86.5	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.016	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-67.7	132.1	176.8	172.7	68.5	0	0	0	107.9	Y207 S383 P388 A552	Y207-L271 HydrophobicContact CD1-CB 4.35Å; Y207-L271 HydrophobicContact CD1-CD1 3.41Å; Y207-L271 VanDerWaalsContact CD1-CD1 3.41Å; Y207-L271 HydrophobicContact CD1-CG 4.5Å; Y207-L271 HydrophobicContact CD2-CD1 4.23Å; Y207-L271 HydrophobicContact CE1-CB 4.13Å; Y207-L271 HydrophobicContact CE1-CD1 4Å; Y207-L271 HydrophobicContact CE2-CB 4.31Å; Y207-L271 HydrophobicContact CG-CD1 3.56Å; L271-S383 WeakPolarHBondContact CB-OG 3.45Å; L271-S383 PolarHBondContact N-OG 2.88Å; L271-P388 VanDerWaalsContact O-CD 3.29Å; L271-P388 WeakPolarHBondContact O-CD 3.47Å; L271-P388 VanDerWaalsContact O-CG 3.25Å; L271-P388 WeakPolarHBondContact O-CG 3.42Å; L271-A552 HydrophobicContact CD2-CB 4.1Å
272	F	96.2	Very high	87.3	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.009	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-76.4	150.1	173.8	65.6	-100.7	0	0	0	110.4	A209 V222 L233 G270 L274 L285 L286 L287 Q547	A209-F272 HydrophobicContact CB-CE2 3.65Å; A209-F272 HydrophobicContact CB-CZ 4.17Å; V222-F272 HydrophobicContact CB-CE2 4.31Å; V222-F272 HydrophobicContact CB-CZ 4.19Å; V222-F272 HydrophobicContact CG1-CE2 4.16Å; V222-F272 HydrophobicContact CG1-CZ 3.92Å; L233-F272 HydrophobicContact CD2-CD1 4.29Å; L233-F272 HydrophobicContact CD2-CE1 4.3Å; G270-F272 PolarHBondContact O-N 3.1Å; F272-L274 HydrophobicContact CD2-CD2 4.39Å; F272-L285 HydrophobicContact CB-CD1 4.12Å; F272-L285 HydrophobicContact CB-CD2 3.83Å; F272-L285 HydrophobicContact CB-CG 3.9Å; F272-L285 HydrophobicContact CD2-CD1 3.64Å; F272-L285 HydrophobicContact CD2-CG 4.02Å; F272-L285 HydrophobicContact CE2-CD1 4.15Å; F272-L285 HydrophobicContact CG-CD1 3.89Å; F272-L285 HydrophobicContact CG-CD2 4.49Å; F272-L285 HydrophobicContact CG-CG 4.19Å; F272-L286 CarbonylContact C-O 3.55Å; F272-L286 VanDerWaalsContact CA-O 3.23Å; F272-L286 WeakPolarHBondContact CA-O 3.19Å; F272-L287 HydrophobicContact CB-CD1 4.06Å; F272-Q547 PolarHBondContact O-NE2 3.16Å; F272-Q547 PolarHBondContact O-OE1 2.87Å
273	V	96.1	Very high	88.3	Confident	6 Å²	6	33.8 Å²	33.8	4%	0.036	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.5	177	-75.2	0	0	0	0	111.2	F277 L285 L286 P388 V390 L401	V273-F277 HydrophobicContact CG2-CE2 4.19Å; V273-F277 HydrophobicContact CG2-CZ 3.76Å; V273-L285 WeakPolarHBondContact O-CA 3.24Å; V273-L286 HydrophobicContact CG2-CB 4.18Å; V273-L286 HydrophobicContact CG2-CD2 4.25Å; V273-L286 PolarHBondContact N-O 2.9Å; V273-L286 PolarHBondContact O-N 3.18Å; V273-P388 HydrophobicContact CB-CG 4.44Å; V273-P388 HydrophobicContact CG1-CB 4.36Å; V273-P388 HydrophobicContact CG1-CG 3.6Å; V273-P388 HydrophobicContact CG2-CB 4.41Å; V273-P388 HydrophobicContact CG2-CG 4.01Å; V273-V390 HydrophobicContact CB-CG2 3.59Å; V273-V390 HydrophobicContact CG1-CG2 3.71Å; V273-V390 HydrophobicContact CG2-CG2 3.63Å; V273-L401 HydrophobicContact CG2-CD2 4.1Å
274	L	95.8	Very high	89.7	Confident	7 Å²	7	30.1 Å²	30.1	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.6	-178.6	-59.3	-177.1	0	0	0	109.5	A209 I213 F272 I283 D284 L285 F306 L543	A209-L274 HydrophobicContact CB-CD1 3.56Å; A209-L274 HydrophobicContact CB-CG 4.25Å; I213-L274 HydrophobicContact CG2-CD1 3.9Å; F272-L274 HydrophobicContact CD2-CD2 4.39Å; L274-I283 HydrophobicContact CB-CG2 3.91Å; L274-I283 HydrophobicContact CD2-CG2 4.48Å; L274-D284 VanDerWaalsContact CA-O 3.28Å; L274-D284 WeakPolarHBondContact CA-O 3.4Å; L274-L285 HydrophobicContact CD2-CB 3.7Å; L274-L285 HydrophobicContact CD2-CD1 4Å; L274-L285 HydrophobicContact CD2-CG 3.96Å; L274-F306 HydrophobicContact CD2-CE2 4.07Å; L274-F306 HydrophobicContact CD2-CZ 4.49Å; L274-L543 HydrophobicContact CB-CD1 3.9Å; L274-L543 HydrophobicContact CD1-CD1 3.95Å
275	N	95	Very high	90.8	Very high	23 Å²	23	27.5 Å²	27.5	12%	0.123	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	167.4	173.5	-145.2	-32.4	0	0	0	109.8	F277 D284 V390 P399 A541	N275-F277 HydrophobicContact CB-CD2 4.19Å; N275-F277 HydrophobicContact CB-CE1 4.21Å; N275-F277 HydrophobicContact CB-CE2 3.74Å; N275-F277 HydrophobicContact CB-CZ 3.75Å; N275-F277 WeakPolarHBondContact O-CD2 3.43Å; N275-F277 PolarHBondContact O-N 2.96Å; N275-D284 PolarHBondContact N-O 2.88Å; N275-D284 VanDerWaalsContact N-O 3.11Å; N275-D284 WeakPolarHBondContact O-CA 3.2Å; N275-D284 WeakPolarHBondContact O-CB 3.5Å; N275-D284 PolarHBondContact O-N 2.98Å; N275-V390 HydrophobicContact CB-CG1 4.17Å; N275-V390 VanDerWaalsContact ND2-CG1 3.28Å; N275-V390 WeakPolarHBondContact ND2-CG1 3.44Å; N275-P399 HydrophobicContact CB-CB 4.29Å; N275-P399 HydrophobicContact CB-CG 4.17Å; N275-A541 PolarHBondContact OD1-O 3.47Å
276	D	93.3	Very high	91.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.			trans	-81.7	86.6	172.4	178.7	1.9	0	0	0	110.1	Y279 D280 G281 L282 P399 S540 A541	D276-Y279 WeakPolarHBondContact OD1-CA 3.36Å; D276-Y279 PolarHBondContact OD1-N 2.92Å; D276-D280 PolarHBondContact OD1-N 2.79Å; D276-G281 WeakPolarHBondContact OD2-CA 3.49Å; D276-G281 PolarHBondContact OD2-N 2.89Å; D276-L282 VanDerWaalsContact CA-O 3.26Å; D276-L282 WeakPolarHBondContact CA-O 3.44Å; D276-L282 WeakPolarHBondContact CB-O 3.31Å; D276-P399 WeakPolarHBondContact O-CD 3.09Å; D276-P399 WeakPolarHBondContact O-CG 3.38Å; D276-S540 WeakPolarHBondContact OD2-CA 3.47Å; D276-A541 HydrophobicContact CB-CB 4.19Å; D276-A541 WeakPolarHBondContact CB-O 3.43Å; D276-A541 PolarHBondContact OD2-N 3.5Å; D276-A541 VanDerWaalsContact OD2-N 3.11Å
277	F	94.1	Very high	92.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-84.8	-30.2	-171.8	-73.2	-72.2	0	0	0	112.6	V273 N275 Y279 D284 L286 I303 V390 P399 L401 N424 L433 F435	V273-F277 HydrophobicContact CG2-CE2 4.19Å; V273-F277 HydrophobicContact CG2-CZ 3.76Å; N275-F277 HydrophobicContact CB-CD2 4.19Å; N275-F277 HydrophobicContact CB-CE1 4.21Å; N275-F277 HydrophobicContact CB-CE2 3.74Å; N275-F277 HydrophobicContact CB-CZ 3.75Å; N275-F277 WeakPolarHBondContact O-CD2 3.43Å; N275-F277 PolarHBondContact O-N 2.96Å; F277-Y279 VanDerWaalsContact C-N 3.35Å; F277-D284 HydrophobicContact CD2-CB 4.14Å; F277-D284 PolarHBondContact N-OD2 3.23Å; F277-D284 VanDerWaalsContact N-OD2 3.11Å; F277-L286 HydrophobicContact CD1-CD1 4.03Å; F277-L286 HydrophobicContact CD2-CB 3.74Å; F277-L286 HydrophobicContact CD2-CD1 4.03Å; F277-L286 HydrophobicContact CE1-CD1 4.11Å; F277-L286 HydrophobicContact CE2-CB 3.39Å; F277-L286 HydrophobicContact CE2-CD1 4.12Å; F277-L286 HydrophobicContact CE2-CG 4.37Å; F277-L286 HydrophobicContact CG-CD1 3.99Å; F277-L286 HydrophobicContact CZ-CB 3.93Å; F277-L286 HydrophobicContact CZ-CD1 4.16Å; F277-I303 HydrophobicContact CB-CD1 3.9Å; F277-V390 HydrophobicContact CE1-CG1 4.1Å; F277-V390 HydrophobicContact CZ-CG1 4.14Å; F277-V390 HydrophobicContact CZ-CG2 4.28Å; F277-P399 HydrophobicContact CD1-CB 3.98Å; F277-P399 HydrophobicContact CE1-CB 3.93Å; F277-L401 HydrophobicContact CE1-CD2 3.6Å; F277-L401 HydrophobicContact CE1-CG 4.23Å; F277-L401 HydrophobicContact CZ-CD2 3.83Å; F277-N424 PolarHBondContact O-ND2 2.78Å; F277-L433 HydrophobicContact CB-CD2 3.83Å; F277-L433 VanDerWaalsContact O-CD1 3.31Å; F277-L433 WeakPolarHBondContact O-CD1 3.44Å; F277-F435 HydrophobicContact CD1-CZ 4.04Å
278	D	89.1	Confident	93	Very high	35 Å²	35	13.3 Å²	13.3	19%	0.187	7%	0.072	C	C	.	.	S	Bend	trans	-90.3	-1.1	176.4	77.5	-0.3	0	0	0	114.3	D280 D284 L427	D278-D280 WeakPolarHBondContact OD1-CB 3.22Å; D278-D280 PolarHBondContact OD1-N 2.79Å; D278-D284 PolarHBondContact N-OD2 3.34Å; D278-L427 HydrophobicContact CB-CD2 3.99Å; D278-L427 HydrophobicContact CB-CG 4.39Å
279	Y	87.1	Confident	93.1	Very high	39 Å²	39	12.4 Å²	12.4	15%	0.153	7%	0.066	C	C	.	.	S	Bend	trans	68.5	39	170.2	-151.5	-122.5	0	0	0	112.7	D276 F277 G397 K398 H538 L539	D276-Y279 WeakPolarHBondContact OD1-CA 3.36Å; D276-Y279 PolarHBondContact OD1-N 2.92Å; F277-Y279 VanDerWaalsContact C-N 3.35Å; Y279-G397 VanDerWaalsContact CE2-C 3.5Å; Y279-G397 WeakPolarHBondContact CE2-O 3.48Å; Y279-K398 HydrophobicContact CD1-CG 4.3Å; Y279-K398 HydrophobicContact CD2-CG 3.93Å; Y279-K398 HydrophobicContact CE2-CG 4.41Å; Y279-K398 HydrophobicContact CG-CG 3.88Å; Y279-H538 HydrophobicContact CE1-CB 4.11Å; Y279-H538 AromaticContact CE1-CG 3.88Å; Y279-H538 AromaticContact CE1-ND1 3.48Å; Y279-H538 WeakPolarHBondContact CE1-ND1 3.25Å; Y279-H538 AromaticContact CZ-ND1 3.63Å; Y279-H538 PolarHBondContact OH-ND1 2.78Å; Y279-L539 CarbonylContact C-O 3.58Å; Y279-L539 WeakPolarHBondContact CD2-O 3.42Å
280	D	85.1	Confident	93	Very high	63 Å²	63	12.1 Å²	12.1	34%	0.337	7%	0.065	S	C	.	.	S	Bend	trans	-104	-5	-177.9	87.9	-12.7	0	0	0	114	D276 D278 L282 L539	D276-D280 PolarHBondContact OD1-N 2.79Å; D278-D280 WeakPolarHBondContact OD1-CB 3.22Å; D278-D280 PolarHBondContact OD1-N 2.79Å; D280-L282 WeakPolarHBondContact OD1-CA 3.49Å; D280-L282 WeakPolarHBondContact OD1-CB 3.4Å; D280-L282 WeakPolarHBondContact OD1-CG 3.4Å; D280-L282 PolarHBondContact OD1-N 3.2Å; D280-L539 WeakPolarHBondContact O-CD1 3.19Å
281	G	88	Confident	92.8	Very high	12 Å²	12	16 Å²	16	12%	0.124	8%	0.08	C	C	.	.	S	Bend	trans	90.4	3.3	-178.6	0	0	0	0	0	114.8	D276 N527 A541	D276-G281 WeakPolarHBondContact OD2-CA 3.49Å; D276-G281 PolarHBondContact OD2-N 2.89Å; G281-N527 PolarHBondContact O-ND2 2.8Å; G281-A541 WeakPolarHBondContact O-CB 3.26Å
282	L	88.7	Confident	92.5	Very high	49 Å²	49	17.6 Å²	17.6	26%	0.257	9%	0.088	S	C	.	.	S	Bend	trans	-107.8	156.1	176.6	-54.7	176.8	0	0	0	110.4	D276 D280 L308	D276-L282 VanDerWaalsContact CA-O 3.26Å; D276-L282 WeakPolarHBondContact CA-O 3.44Å; D276-L282 WeakPolarHBondContact CB-O 3.31Å; D280-L282 WeakPolarHBondContact OD1-CA 3.49Å; D280-L282 WeakPolarHBondContact OD1-CB 3.4Å; D280-L282 WeakPolarHBondContact OD1-CG 3.4Å; D280-L282 PolarHBondContact OD1-N 3.2Å; L282-L308 HydrophobicContact CD2-CD1 4.45Å
283	I	92	Very high	92.2	Very high	11 Å²	11	20.2 Å²	20.2	6%	0.056	11%	0.11	C	C	.	.			trans	-83.5	128.4	177.3	-61.2	-57.5	0	0	0	109.2	D212 I213 L274 F306 A541 L543	D212-I283 WeakPolarHBondContact O-CG1 3.48Å; I213-I283 HydrophobicContact CG2-CG2 4.2Å; L274-I283 HydrophobicContact CB-CG2 3.91Å; L274-I283 HydrophobicContact CD2-CG2 4.48Å; I283-F306 WeakPolarHBondContact O-CD2 3.49Å; I283-A541 HydrophobicContact CD1-CB 3.75Å; I283-L543 HydrophobicContact CD1-CD1 4.24Å; I283-L543 HydrophobicContact CD1-CD2 4.44Å; I283-L543 HydrophobicContact CD1-CG 3.85Å; I283-L543 HydrophobicContact CG1-CD1 4.07Å; I283-L543 HydrophobicContact CG1-CD2 4.34Å; I283-L543 HydrophobicContact CG1-CG 4.04Å; I283-L543 HydrophobicContact CG2-CD1 3.86Å
284	D	92.6	Very high	91.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	160.8	167.9	-58.5	-63.7	0	0	0	110.8	L274 N275 F277 D278 I303 T305	L274-D284 VanDerWaalsContact CA-O 3.28Å; L274-D284 WeakPolarHBondContact CA-O 3.4Å; N275-D284 PolarHBondContact N-O 2.88Å; N275-D284 VanDerWaalsContact N-O 3.11Å; N275-D284 WeakPolarHBondContact O-CA 3.2Å; N275-D284 WeakPolarHBondContact O-CB 3.5Å; N275-D284 PolarHBondContact O-N 2.98Å; F277-D284 HydrophobicContact CD2-CB 4.14Å; F277-D284 PolarHBondContact N-OD2 3.23Å; F277-D284 VanDerWaalsContact N-OD2 3.11Å; D278-D284 PolarHBondContact N-OD2 3.34Å; D284-I303 HydrophobicContact CB-CD1 3.8Å; D284-I303 HydrophobicContact CB-CG1 3.85Å; D284-T305 WeakPolarHBondContact OD1-CA 3.43Å; D284-T305 VanDerWaalsContact OD1-CB 3.26Å; D284-T305 WeakPolarHBondContact OD1-CB 3.44Å; D284-T305 WeakPolarHBondContact OD1-CG2 3.45Å; D284-T305 PolarHBondContact OD1-OG1 2.78Å
285	L	95	Very high	91.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.1	163.8	-178.4	156.2	0	0	0	109.7	V222 L233 F272 V273 L274 L287 I303 Y304 F306 W349	V222-L285 HydrophobicContact CG1-CD1 4Å; L233-L285 HydrophobicContact CD1-CD1 3.69Å; L233-L285 HydrophobicContact CD1-CD2 4.23Å; F272-L285 HydrophobicContact CB-CD1 4.12Å; F272-L285 HydrophobicContact CB-CD2 3.83Å; F272-L285 HydrophobicContact CB-CG 3.9Å; F272-L285 HydrophobicContact CD2-CD1 3.64Å; F272-L285 HydrophobicContact CD2-CG 4.02Å; F272-L285 HydrophobicContact CE2-CD1 4.15Å; F272-L285 HydrophobicContact CG-CD1 3.89Å; F272-L285 HydrophobicContact CG-CD2 4.49Å; F272-L285 HydrophobicContact CG-CG 4.19Å; V273-L285 WeakPolarHBondContact O-CA 3.24Å; L274-L285 HydrophobicContact CD2-CB 3.7Å; L274-L285 HydrophobicContact CD2-CD1 4Å; L274-L285 HydrophobicContact CD2-CG 3.96Å; L285-L287 HydrophobicContact CD2-CB 4.09Å; L285-I303 CarbonylContact O-C 3.57Å; L285-I303 WeakPolarHBondContact O-CA 3.24Å; L285-Y304 PolarHBondContact N-O 2.88Å; L285-Y304 PolarHBondContact O-N 2.87Å; L285-F306 HydrophobicContact CB-CE2 3.68Å; L285-F306 HydrophobicContact CB-CZ 3.8Å; L285-F306 HydrophobicContact CD1-CZ 4.04Å; L285-W349 HydrophobicContact CD2-CH2 3.49Å; L285-W349 VanDerWaalsContact CD2-CH2 3.49Å; L285-W349 HydrophobicContact CD2-CZ3 3.89Å
286	L	95.6	Very high	91.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.9	174	-173.2	149.5	0	0	0	110.8	F272 V273 F277 I301 N302 L401 F435	F272-L286 CarbonylContact C-O 3.55Å; F272-L286 VanDerWaalsContact CA-O 3.23Å; F272-L286 WeakPolarHBondContact CA-O 3.19Å; V273-L286 HydrophobicContact CG2-CB 4.18Å; V273-L286 HydrophobicContact CG2-CD2 4.25Å; V273-L286 PolarHBondContact N-O 2.9Å; V273-L286 PolarHBondContact O-N 3.18Å; F277-L286 HydrophobicContact CD1-CD1 4.03Å; F277-L286 HydrophobicContact CD2-CB 3.74Å; F277-L286 HydrophobicContact CD2-CD1 4.03Å; F277-L286 HydrophobicContact CE1-CD1 4.11Å; F277-L286 HydrophobicContact CE2-CB 3.39Å; F277-L286 HydrophobicContact CE2-CD1 4.12Å; F277-L286 HydrophobicContact CE2-CG 4.37Å; F277-L286 HydrophobicContact CG-CD1 3.99Å; F277-L286 HydrophobicContact CZ-CB 3.93Å; F277-L286 HydrophobicContact CZ-CD1 4.16Å; L286-I301 HydrophobicContact CD1-CG2 3.71Å; L286-I301 HydrophobicContact CD2-CG2 3.46Å; L286-I301 VanDerWaalsContact CD2-CG2 3.46Å; L286-I301 HydrophobicContact CG-CG2 3.56Å; L286-N302 CarbonylContact C-O 3.55Å; L286-N302 WeakPolarHBondContact CA-O 3.17Å; L286-L401 HydrophobicContact CD1-CD1 3.71Å; L286-L401 HydrophobicContact CD2-CD1 3.48Å; L286-L401 VanDerWaalsContact CD2-CD1 3.48Å; L286-L401 HydrophobicContact CD2-CD2 4.25Å; L286-L401 HydrophobicContact CG-CD1 4.25Å; L286-F435 HydrophobicContact CD1-CE2 3.71Å; L286-F435 HydrophobicContact CD1-CZ 3.98Å
287	L	95.2	Very high	91.7	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	106.7	-172.8	-176.8	58	0	0	0	111.4	L257 L269 G270 F272 L285 V289 N302 W349	L257-L287 HydrophobicContact CD2-CD2 3.82Å; L269-L287 HydrophobicContact CD1-CD1 3.46Å; L269-L287 VanDerWaalsContact CD1-CD1 3.46Å; L269-L287 HydrophobicContact CD1-CD2 3.72Å; L269-L287 HydrophobicContact CD1-CG 3.82Å; L269-L287 HydrophobicContact CG-CD1 4.16Å; G270-L287 WeakPolarHBondContact O-CD1 3.42Å; F272-L287 HydrophobicContact CB-CD1 4.06Å; L285-L287 HydrophobicContact CD2-CB 4.09Å; L287-V289 HydrophobicContact CD1-CG1 4.46Å; L287-V289 HydrophobicContact CD2-CG1 4.07Å; L287-V289 HydrophobicContact CG-CG1 3.73Å; L287-N302 PolarHBondContact N-O 2.97Å; L287-N302 PolarHBondContact O-N 3.09Å; L287-W349 HydrophobicContact CB-CH2 3.8Å; L287-W349 HydrophobicContact CB-CZ3 3.62Å; L287-W349 HydrophobicContact CD2-CH2 3.39Å; L287-W349 HydrophobicContact CD2-CZ2 4.06Å; L287-W349 HydrophobicContact CD2-CZ3 3.84Å; L287-W349 HydrophobicContact CG-CH2 4.26Å; L287-W349 HydrophobicContact CG-CZ3 4.39Å
288	P	95.6	Very high	91.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	133.3	169.7	28.6	-27.3	0	0	0	110.7	G270 I301 L370 L385 P388 L403	G270-P288 WeakPolarHBondContact CA-O 3.44Å; G270-P288 PolarHBondContact N-O 2.83Å; P288-I301 HydrophobicContact CB-CG1 4.48Å; P288-L370 HydrophobicContact CB-CD1 3.96Å; P288-L385 HydrophobicContact CB-CD1 3.92Å; P288-L385 HydrophobicContact CG-CD1 4.42Å; P288-L385 WeakPolarHBondContact O-CD1 3.27Å; P288-P388 HydrophobicContact CG-CG 4.28Å; P288-L403 HydrophobicContact CG-CD2 4.45Å
289	V	94.7	Very high	91.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.3	-178.1	-52.1	0	0	0	0	112.3	L261 V268 L269 L287 S299 S300 N302	L261-V289 HydrophobicContact CB-CG2 4.26Å; L261-V289 HydrophobicContact CD2-CG2 4.36Å; V268-V289 CarbonylContact O-C 3.57Å; V268-V289 WeakPolarHBondContact O-CA 3.41Å; L269-V289 HydrophobicContact CD1-CG1 3.69Å; L287-V289 HydrophobicContact CD1-CG1 4.46Å; L287-V289 HydrophobicContact CD2-CG1 4.07Å; L287-V289 HydrophobicContact CG-CG1 3.73Å; V289-S299 WeakPolarHBondContact O-CA 3.47Å; V289-S300 WeakPolarHBondContact CG2-OG 3.43Å; V289-S300 PolarHBondContact N-O 2.72Å; V289-S300 PolarHBondContact O-N 3.39Å; V289-N302 WeakPolarHBondContact CG2-ND2 3.23Å
290	C	93.2	Very high	92.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.7	164	-54.8	0	0	0	0	109.8	S267 V268 D292 C295	S267-C290 CarbonylContact C-O 3.53Å; S267-C290 WeakPolarHBondContact CA-O 3.14Å; S267-C290 WeakPolarHBondContact CB-O 3.33Å; V268-C290 HydrophobicContact CB-CB 4.14Å; V268-C290 PolarHBondContact N-O 2.66Å; V268-C290 PolarHBondContact O-N 2.74Å; C290-D292 VanDerWaalsContact C-N 3.25Å; C290-D292 VanDerWaalsContact CB-O 3.25Å; C290-D292 WeakPolarHBondContact CB-O 3.37Å; C290-D292 PolarHBondContact O-N 3.26Å; C290-C295 HydrophobicContact CB-CB 3.81Å; C290-C295 WeakPolarHBondContact CB-SG 3.39Å; C290-C295 WeakPolarHBondContact SG-CB 3.15Å; C290-C295 CovalentContact SG-SG 2.02Å; C290-C295 PolarHBondContact SG-SG 3.01Å
291	R	91.2	Very high	92.7	Very high	82 Å²	82	27.3 Å²	27.3	31%	0.309	15%	0.147	S	C	.	.	S	Bend	trans	-79.6	-7.7	174.9	-61	-178.3	-70.2	-98.1	-2.9	113.8	K260 L261 S263 T264 S267 D297 T298	K260-R291 WeakPolarHBondContact O-CD 3.43Å; L261-R291 WeakPolarHBondContact O-CG 3.23Å; S263-R291 WeakPolarHBondContact OG-CD 3.35Å; T264-R291 PolarHBondContact OG1-O 3.39Å; S267-R291 PolarHBondContact OG-O 2.85Å; R291-D297 PolarHBondContact NH2-O 2.83Å; R291-T298 HydrophobicContact CB-CG2 4.07Å; R291-T298 PolarHBondContact N-O 2.99Å
292	D	90	Very high	92.9	Very high	36 Å²	36	27 Å²	27	19%	0.193	14%	0.142	C	C	.	.	S	Bend	trans	-146.4	168.1	175.8	69.5	66.9	0	0	0	111.2	Q266 C290 K294 C295 T298	Q266-D292 CarbonylContact O-C 3.55Å; Q266-D292 VanDerWaalsContact O-CA 3.27Å; Q266-D292 WeakPolarHBondContact O-CA 3.43Å; C290-D292 VanDerWaalsContact C-N 3.25Å; C290-D292 VanDerWaalsContact CB-O 3.25Å; C290-D292 WeakPolarHBondContact CB-O 3.37Å; C290-D292 PolarHBondContact O-N 3.26Å; D292-K294 VanDerWaalsContact C-N 3.3Å; D292-K294 PolarHBondContact O-N 3.31Å; D292-K294 VanDerWaalsContact OD1-CA 3.29Å; D292-K294 WeakPolarHBondContact OD1-CA 3.49Å; D292-K294 WeakPolarHBondContact OD1-CB 3.4Å; D292-K294 PolarHBondContact OD1-N 2.95Å; D292-C295 PolarHBondContact O-N 3.39Å; D292-C295 PolarHBondContact OD1-N 2.64Å; D292-T298 VanDerWaalsContact CG-OG1 3.27Å; D292-T298 WeakPolarHBondContact OD2-CB 3.48Å; D292-T298 WeakPolarHBondContact OD2-CG2 3.31Å; D292-T298 PolarHBondContact OD2-OG1 2.55Å
293	A	88.9	Confident	93.1	Very high	57 Å²	57	24.9 Å²	24.9	47%	0.471	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.7	-175.9	0	0	0	0	0	114.9	Q266 S372	Q266-A293 PolarHBondContact O-N 2.87Å; Q266-A293 VanDerWaalsContact O-N 3.14Å; A293-S372 PolarHBondContact O-OG 2.99Å
294	K	90.9	Very high	93	Very high	142 Å²	142	24.5 Å²	24.5	62%	0.617	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-21	178.8	-69.6	-175	177.6	-178.2	0	112.3	D292 L296 W408	D292-K294 VanDerWaalsContact C-N 3.3Å; D292-K294 PolarHBondContact O-N 3.31Å; D292-K294 VanDerWaalsContact OD1-CA 3.29Å; D292-K294 WeakPolarHBondContact OD1-CA 3.49Å; D292-K294 WeakPolarHBondContact OD1-CB 3.4Å; D292-K294 PolarHBondContact OD1-N 2.95Å; K294-L296 PolarHBondContact O-N 3.25Å; K294-W408 HydrophobicContact CB-CH2 4.13Å; K294-W408 HydrophobicContact CB-CZ2 4.42Å; K294-W408 HydrophobicContact CD-CH2 4.45Å; K294-W408 HydrophobicContact CG-CH2 4.45Å; K294-W408 VanDerWaalsContact O-CZ2 3.28Å; K294-W408 WeakPolarHBondContact O-CZ2 3.41Å
295	C	93.9	Very high	92.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.			trans	65	-2.9	-177.1	-65.3	0	0	0	0	115.8	C290 D292 D297 T298 S299 S369 L370	C290-C295 HydrophobicContact CB-CB 3.81Å; C290-C295 WeakPolarHBondContact CB-SG 3.39Å; C290-C295 WeakPolarHBondContact SG-CB 3.15Å; C290-C295 CovalentContact SG-SG 2.02Å; C290-C295 PolarHBondContact SG-SG 3.01Å; D292-C295 PolarHBondContact O-N 3.39Å; D292-C295 PolarHBondContact OD1-N 2.64Å; C295-D297 PolarHBondContact O-N 2.91Å; C295-T298 WeakPolarHBondContact CA-OG1 3.28Å; C295-T298 PolarHBondContact O-N 2.92Å; C295-S299 WeakPolarHBondContact CB-OG 3.47Å; C295-S299 PolarHBondContact O-N 2.92Å; C295-S299 PolarHBondContact O-OG 2.86Å; C295-S369 VanDerWaalsContact O-CB 3.23Å; C295-S369 WeakPolarHBondContact O-CB 3.48Å; C295-L370 WeakPolarHBondContact CB-O 3Å
296	L	93.9	Very high	92	Very high	27 Å²	27	26.9 Å²	26.9	14%	0.141	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	118.6	-178.7	177.7	57	0	0	0	110	K294 T298 R367 W408	K294-L296 PolarHBondContact O-N 3.25Å; L296-T298 PolarHBondContact O-N 2.84Å; L296-R367 HydrophobicContact CD1-CB 4.32Å; L296-W408 HydrophobicContact CB-CD2 4.35Å; L296-W408 HydrophobicContact CB-CZ2 4.23Å; L296-W408 HydrophobicContact CD1-CB 4.01Å; L296-W408 HydrophobicContact CD1-CD2 4.03Å; L296-W408 HydrophobicContact CD1-CG 3.66Å; L296-W408 HydrophobicContact CD2-CD2 4.07Å; L296-W408 HydrophobicContact CD2-CE3 4Å; L296-W408 HydrophobicContact CD2-CG 4.41Å; L296-W408 HydrophobicContact CD2-CZ3 4.47Å; L296-W408 HydrophobicContact CG-CD2 4.38Å; L296-W408 HydrophobicContact CG-CG 4.5Å
297	D	91.3	Very high	90.6	Very high	97 Å²	97	29.9 Å²	29.9	52%	0.519	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	1.4	-176	-44.2	-57.1	0	0	0	116.5	R291 C295 R367	R291-D297 PolarHBondContact NH2-O 2.83Å; C295-D297 PolarHBondContact O-N 2.91Å; D297-R367 IonicContact OD1-CZ 3.11Å; D297-R367 VanDerWaalsContact OD1-CZ 3.27Å; D297-R367 IonicContact OD1-NE 2.7Å; D297-R367 PolarHBondContact OD1-NE 2.89Å; D297-R367 IonicContact OD1-NH2 2.73Å; D297-R367 PolarHBondContact OD1-NH2 3.1Å; D297-R367 IonicContact OD2-CZ 3.94Å; D297-R367 VanDerWaalsContact OD2-CZ 3.31Å; D297-R367 IonicContact OD2-NH1 2.78Å; D297-R367 IonicContact OD2-NH2 3.19Å; D297-R367 PolarHBondContact OD2-NH2 2.75Å
298	T	92.6	Very high	88.7	Confident	19 Å²	19	31.9 Å²	31.9	12%	0.117	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-4	-179.4	59.1	0	0	0	0	113.3	R291 D292 C295 L296	R291-T298 HydrophobicContact CB-CG2 4.07Å; R291-T298 PolarHBondContact N-O 2.99Å; D292-T298 VanDerWaalsContact CG-OG1 3.27Å; D292-T298 WeakPolarHBondContact OD2-CB 3.48Å; D292-T298 WeakPolarHBondContact OD2-CG2 3.31Å; D292-T298 PolarHBondContact OD2-OG1 2.55Å; C295-T298 WeakPolarHBondContact CA-OG1 3.28Å; C295-T298 PolarHBondContact O-N 2.92Å; L296-T298 PolarHBondContact O-N 2.84Å
299	S	94.7	Very high	86.3	Confident	15 Å²	15	37.2 Å²	37.2	11%	0.105	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	133.9	173.5	-64.9	0	0	0	0	112.1	V289 C295 W356 S369 L370	V289-S299 WeakPolarHBondContact O-CA 3.47Å; C295-S299 WeakPolarHBondContact CB-OG 3.47Å; C295-S299 PolarHBondContact O-N 2.92Å; C295-S299 PolarHBondContact O-OG 2.86Å; S299-W356 VanDerWaalsContact CB-CH2 3.49Å; S299-S369 WeakPolarHBondContact OG-CB 3.5Å; S299-L370 PolarHBondContact OG-N 2.69Å
300	S	93.6	Very high	83.7	Confident	22 Å²	22	40.2 Å²	40.2	15%	0.154	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	154.3	167.8	58.7	0	0	0	0	111.1	V289 N302	V289-S300 WeakPolarHBondContact CG2-OG 3.43Å; V289-S300 PolarHBondContact N-O 2.72Å; V289-S300 PolarHBondContact O-N 3.39Å; S300-N302 PolarHBondContact OG-ND2 2.99Å
301	I	94.9	Very high	81.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.5	170	-63.4	176	0	0	0	106.4	L286 P288 V352 V354 L401 L403 F422	L286-I301 HydrophobicContact CD1-CG2 3.71Å; L286-I301 HydrophobicContact CD2-CG2 3.46Å; L286-I301 VanDerWaalsContact CD2-CG2 3.46Å; L286-I301 HydrophobicContact CG-CG2 3.56Å; P288-I301 HydrophobicContact CB-CG1 4.48Å; I301-V352 HydrophobicContact CB-CB 4.29Å; I301-V352 HydrophobicContact CG2-CB 4.17Å; I301-V352 HydrophobicContact CG2-CG2 4.07Å; I301-V352 VanDerWaalsContact O-CB 3.29Å; I301-V352 WeakPolarHBondContact O-CB 3.37Å; I301-V352 PolarHBondContact O-N 3.04Å; I301-V354 HydrophobicContact CB-CG2 4.16Å; I301-V354 HydrophobicContact CD1-CG2 4.06Å; I301-V354 HydrophobicContact CG1-CG2 4.28Å; I301-L401 HydrophobicContact CD1-CD1 4.26Å; I301-L403 HydrophobicContact CD1-CD1 4.06Å; I301-F422 HydrophobicContact CD1-CD1 3.97Å; I301-F422 HydrophobicContact CD1-CE1 4.21Å; I301-F422 HydrophobicContact CD1-CG 4.3Å
302	N	93	Very high	78.8	Confident	4 Å²	4	44 Å²	44	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	142.6	-174.3	-56.5	-81	0	0	0	109.2	L261 L286 L287 V289 S300 W349	L261-N302 HydrophobicContact CD1-CB 4.02Å; L261-N302 VanDerWaalsContact CD2-CG 3.47Å; L261-N302 WeakPolarHBondContact CD2-ND2 3.39Å; L261-N302 WeakPolarHBondContact CD2-OD1 3.42Å; L286-N302 CarbonylContact C-O 3.55Å; L286-N302 WeakPolarHBondContact CA-O 3.17Å; L287-N302 PolarHBondContact N-O 2.97Å; L287-N302 PolarHBondContact O-N 3.09Å; V289-N302 WeakPolarHBondContact CG2-ND2 3.23Å; S300-N302 PolarHBondContact OG-ND2 2.99Å; N302-W349 HydrophobicContact CB-CE3 3.78Å; N302-W349 HydrophobicContact CB-CZ3 4.14Å
303	I	92.3	Very high	76.5	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.026	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140	-179.9	-171.1	170.3	0	0	0	109.8	F277 D284 L285 S350 V352 L433	F277-I303 HydrophobicContact CB-CD1 3.9Å; D284-I303 HydrophobicContact CB-CD1 3.8Å; D284-I303 HydrophobicContact CB-CG1 3.85Å; L285-I303 CarbonylContact O-C 3.57Å; L285-I303 WeakPolarHBondContact O-CA 3.24Å; I303-S350 WeakPolarHBondContact CG2-OG 3.29Å; I303-S350 PolarHBondContact N-O 3.11Å; I303-S350 PolarHBondContact O-N 3.01Å; I303-V352 HydrophobicContact CB-CG2 3.77Å; I303-V352 HydrophobicContact CG2-CG2 3.67Å; I303-L433 HydrophobicContact CD1-CD2 3.68Å
304	Y	90.1	Very high	74	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	110.8	174.9	-173.9	-85.3	0	0	0	108.3	I255 L285 F306 L347 W349	I255-Y304 HydrophobicContact CD1-CE1 3.78Å; I255-Y304 HydrophobicContact CD1-CE2 4.22Å; I255-Y304 VanDerWaalsContact CD1-CZ 3.48Å; I255-Y304 WeakPolarHBondContact CD1-OH 3.39Å; I255-Y304 HydrophobicContact CG2-CD2 4.41Å; I255-Y304 HydrophobicContact CG2-CE2 3.72Å; L285-Y304 PolarHBondContact N-O 2.88Å; L285-Y304 PolarHBondContact O-N 2.87Å; Y304-F306 AromaticContact CD1-CD1 3.98Å; Y304-F306 HydrophobicContact CD1-CD1 3.98Å; Y304-F306 AromaticContact CD1-CE1 3.83Å; Y304-F306 HydrophobicContact CD1-CE1 3.83Å; Y304-F306 HydrophobicContact CD1-CG 4.41Å; Y304-F306 HydrophobicContact CD1-CZ 4.17Å; Y304-F306 AromaticContact CE1-CD1 3.65Å; Y304-F306 HydrophobicContact CE1-CD1 3.65Å; Y304-F306 AromaticContact CE1-CE1 3.72Å; Y304-F306 HydrophobicContact CE1-CE1 3.72Å; Y304-F306 HydrophobicContact CE1-CG 4.35Å; Y304-L347 HydrophobicContact CD2-CB 4.41Å; Y304-L347 HydrophobicContact CE1-CB 4.24Å; Y304-L347 HydrophobicContact CE1-CD1 3.87Å; Y304-L347 HydrophobicContact CE2-CB 3.45Å; Y304-L347 VanDerWaalsContact CE2-CB 3.45Å; Y304-L347 WeakPolarHBondContact CE2-O 3.39Å; Y304-L347 WeakPolarHBondContact OH-CB 3.32Å; Y304-L347 WeakPolarHBondContact OH-CD1 3.23Å; Y304-W349 HydrophobicContact CD2-CD2 4.12Å; Y304-W349 HydrophobicContact CD2-CG 4.31Å; Y304-W349 HydrophobicContact CD2-CZ2 4.49Å
305	T	85.5	Confident	71.4	Confident	36 Å²	36	53.9 Å²	53.9	22%	0.221	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128	175.9	-55.4	0	0	0	0	109	D284 L307 L347	D284-T305 WeakPolarHBondContact OD1-CA 3.43Å; D284-T305 VanDerWaalsContact OD1-CB 3.26Å; D284-T305 WeakPolarHBondContact OD1-CB 3.44Å; D284-T305 WeakPolarHBondContact OD1-CG2 3.45Å; D284-T305 PolarHBondContact OD1-OG1 2.78Å; T305-L307 PolarHBondContact O-N 3.02Å; T305-L347 WeakPolarHBondContact O-CD2 3.46Å
306	F	81.4	Confident	68.5	Low	14 Å²	14	64.8 Å²	64.8	6%	0.061	33%	0.334	C	S	.	.			trans	-77.9	108.6	174.7	-61	-80.6	0	0	0	109.1	I213 V222 V235 L274 I283 L285 Y304 L308	I213-F306 HydrophobicContact CB-CD2 3.75Å; I213-F306 HydrophobicContact CB-CE2 4Å; I213-F306 HydrophobicContact CB-CG 4.06Å; I213-F306 HydrophobicContact CD1-CD1 3.83Å; I213-F306 HydrophobicContact CD1-CD2 4.42Å; I213-F306 HydrophobicContact CD1-CE1 3.74Å; I213-F306 HydrophobicContact CD1-CE2 4.32Å; I213-F306 HydrophobicContact CD1-CG 4.19Å; I213-F306 HydrophobicContact CD1-CZ 3.99Å; I213-F306 HydrophobicContact CG1-CD1 4.3Å; I213-F306 HydrophobicContact CG1-CD2 4.35Å; I213-F306 HydrophobicContact CG1-CG 4.19Å; I213-F306 HydrophobicContact CG2-CD2 4.34Å; I213-F306 HydrophobicContact CG2-CE2 4.11Å; I213-F306 WeakPolarHBondContact O-CB 3.41Å; V222-F306 HydrophobicContact CG2-CZ 4.14Å; V235-F306 HydrophobicContact CG2-CE1 4.1Å; L274-F306 HydrophobicContact CD2-CE2 4.07Å; L274-F306 HydrophobicContact CD2-CZ 4.49Å; I283-F306 WeakPolarHBondContact O-CD2 3.49Å; L285-F306 HydrophobicContact CB-CE2 3.68Å; L285-F306 HydrophobicContact CB-CZ 3.8Å; L285-F306 HydrophobicContact CD1-CZ 4.04Å; Y304-F306 AromaticContact CD1-CD1 3.98Å; Y304-F306 HydrophobicContact CD1-CD1 3.98Å; Y304-F306 AromaticContact CD1-CE1 3.83Å; Y304-F306 HydrophobicContact CD1-CE1 3.83Å; Y304-F306 HydrophobicContact CD1-CG 4.41Å; Y304-F306 HydrophobicContact CD1-CZ 4.17Å; Y304-F306 AromaticContact CE1-CD1 3.65Å; Y304-F306 HydrophobicContact CE1-CD1 3.65Å; Y304-F306 AromaticContact CE1-CE1 3.72Å; Y304-F306 HydrophobicContact CE1-CE1 3.72Å; Y304-F306 HydrophobicContact CE1-CG 4.35Å; F306-L308 PolarHBondContact O-N 2.83Å
307	L	65.2	Low	65.6	Low	63 Å²	63	70.4 Å²	70.4	33%	0.33	36%	0.364	S	S	.	.			trans	-74.5	129	174.4	-82.1	172.8	0	0	0	110	T305 L347	T305-L307 PolarHBondContact O-N 3.02Å; L307-L347 HydrophobicContact CB-CD1 4.13Å; L307-L347 HydrophobicContact CB-CD2 3.76Å; L307-L347 HydrophobicContact CB-CG 4.24Å; L307-L347 HydrophobicContact CD1-CD2 3.41Å; L307-L347 VanDerWaalsContact CD1-CD2 3.41Å; L307-L347 HydrophobicContact CD1-CG 4.1Å; L307-L347 HydrophobicContact CG-CD2 3.34Å; L307-L347 HydrophobicContact CG-CG 4.26Å
308	L	56.5	Low	63.1	Low	45 Å²	45	69.8 Å²	69.8	24%	0.236	37%	0.367	C	S	.	.			trans	-64.8	142.1	173.5	-46.8	-171.4	0	0	0	110.6	N214 L282 F306 G310 V311	N214-L308 HydrophobicContact CB-CD2 4.21Å; N214-L308 WeakPolarHBondContact O-CD2 3.47Å; L282-L308 HydrophobicContact CD2-CD1 4.45Å; F306-L308 PolarHBondContact O-N 2.83Å; L308-G310 PolarHBondContact O-N 3.48Å; L308-V311 HydrophobicContact CB-CB 3.94Å; L308-V311 HydrophobicContact CB-CG2 3.52Å; L308-V311 HydrophobicContact CD1-CG2 3.51Å; L308-V311 HydrophobicContact CG-CB 4.35Å; L308-V311 HydrophobicContact CG-CG2 3.66Å; L308-V311 PolarHBondContact O-N 2.88Å; L308-V311 VanDerWaalsContact O-N 3.09Å
309	P	44.9	Very low	60.5	Low	112 Å²	112	75.3 Å²	75.3	73%	0.727	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	109.5	165.4	-21.4	31.9	0	0	0	110
310	G	39.8	Very low	57.8	Low	64 Å²	64	85 Å²	85	66%	0.66	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.8	-0.2	177.8	0	0	0	0	0	116.5	L308 L312	L308-G310 PolarHBondContact O-N 3.48Å; G310-L312 PolarHBondContact O-N 2.95Å
311	V	41.1	Very low	55.4	Low	73 Å²	73	87.5 Å²	87.5	44%	0.442	45%	0.447	S	S	.	.			trans	-70.9	120.2	169.3	162.1	0	0	0	0	110.2	L308	L308-V311 HydrophobicContact CB-CB 3.94Å; L308-V311 HydrophobicContact CB-CG2 3.52Å; L308-V311 HydrophobicContact CD1-CG2 3.51Å; L308-V311 HydrophobicContact CG-CB 4.35Å; L308-V311 HydrophobicContact CG-CG2 3.66Å; L308-V311 PolarHBondContact O-N 2.88Å; L308-V311 VanDerWaalsContact O-N 3.09Å
312	L	39.8	Very low	52.9	Low	89 Å²	89	91.9 Å²	91.9	47%	0.466	47%	0.47	S	S	.	.			trans	-91.5	112.1	-173.6	-61	173.6	0	0	0	109.5	G310 Y314 L340 L342	G310-L312 PolarHBondContact O-N 2.95Å; L312-Y314 PolarHBondContact O-N 2.9Å; L312-L340 HydrophobicContact CB-CD1 4.06Å; L312-L340 HydrophobicContact CD1-CD1 3.78Å; L312-L340 HydrophobicContact CD1-CD2 4.07Å; L312-L340 HydrophobicContact CD2-CD1 3.79Å; L312-L340 HydrophobicContact CD2-CD2 3.61Å; L312-L340 HydrophobicContact CD2-CG 3.93Å; L312-L340 HydrophobicContact CG-CD1 4.05Å; L312-L340 HydrophobicContact CG-CD2 4.43Å; L312-L342 HydrophobicContact CD2-CD2 3.61Å
313	L	41.7	Very low	50.5	Low	85 Å²	85	99.6 Å²	99.6	45%	0.445	50%	0.503	S	S	.	.			trans	-65.4	100.8	167.2	-72.7	171.7	0	0	0	109.3	K315 I321	L313-K315 PolarHBondContact O-N 2.85Å; L313-I321 HydrophobicContact CD1-CD1 3.74Å
314	Y	37.8	Very low	48.3	Very low	206 Å²	206	103.4 Å²	103.4	81%	0.808	53%	0.531	S	S	*	.			trans	-75.2	113.3	165.1	-167.3	-94.9	0	0	0	108.3	L312 R316	L312-Y314 PolarHBondContact O-N 2.9Å; Y314-R316 PolarHBondContact O-N 3.15Å
315	K	34.7	Very low	46.2	Very low	152 Å²	152	106.8 Å²	106.8	66%	0.661	55%	0.546	S	S	*	.			trans	-46	110	-179.3	-169.6	-173.7	-175.3	-164.4	0	112.7	L313 N317	L313-K315 PolarHBondContact O-N 2.85Å; K315-N317 VanDerWaalsContact CE-OD1 3.23Å; K315-N317 WeakPolarHBondContact CE-OD1 3.46Å; K315-N317 PolarHBondContact NZ-OD1 2.93Å
316	R	32.9	Very low	44.4	Very low	229 Å²	229	106 Å²	106	86%	0.864	54%	0.542	S	S	*	.			trans	-92.3	136.7	142.5	-110.6	-179.8	176.3	175.8	-0.9	107.2	Y314 S318	Y314-R316 PolarHBondContact O-N 3.15Å; R316-S318 PolarHBondContact O-N 3.41Å
317	N	34.8	Very low	43.1	Very low	145 Å²	145	111.5 Å²	111.5	78%	0.775	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	11.7	-160.3	-87.1	-29.6	0	0	0	118.1	K315	K315-N317 VanDerWaalsContact CE-OD1 3.23Å; K315-N317 WeakPolarHBondContact CE-OD1 3.46Å; K315-N317 PolarHBondContact NZ-OD1 2.93Å
318	S	37.9	Very low	42.2	Very low	83 Å²	83	113 Å²	113	58%	0.58	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	-11.7	-168.9	50.6	0	0	0	0	117.4	R316	R316-S318 PolarHBondContact O-N 3.41Å
319	L	38.6	Very low	41.9	Very low	135 Å²	135	117.3 Å²	117.3	71%	0.707	59%	0.588	S	S	*	*			trans	-88.6	118.4	178	-82.4	152	0	0	0	112.3	I321	L319-I321 VanDerWaalsContact C-N 3.31Å; L319-I321 HydrophobicContact CB-CG1 4.34Å; L319-I321 PolarHBondContact O-N 3.08Å
320	K	37.3	Very low	42.2	Very low	219 Å²	219	118.9 Å²	118.9	95%	0.952	58%	0.58	S	S	*	*			trans	-74.5	80.6	168.6	-79.2	-177	-179.9	173.5	0	109.8
321	I	43.1	Very low	42.8	Very low	74 Å²	74	117.9 Å²	117.9	38%	0.379	56%	0.562	S	S	.	*			trans	-77.7	133.5	169	-53	174.8	0	0	0	108.7	L313 L319 K323 C326	L313-I321 HydrophobicContact CD1-CD1 3.74Å; L319-I321 VanDerWaalsContact C-N 3.31Å; L319-I321 HydrophobicContact CB-CG1 4.34Å; L319-I321 PolarHBondContact O-N 3.08Å; I321-K323 PolarHBondContact O-N 2.86Å; I321-K323 VanDerWaalsContact O-N 3.1Å; I321-C326 VanDerWaalsContact CG2-SG 3.51Å
322	N	42.7	Very low	43.1	Very low	92 Å²	92	118.4 Å²	118.4	49%	0.492	57%	0.566	S	S	.	*			trans	-65.8	109.7	173.8	-173.9	-1.4	0	0	0	110.1	S324 H325	N322-S324 PolarHBondContact ND2-OG 2.92Å; N322-S324 PolarHBondContact O-N 3.17Å; N322-S324 VanDerWaalsContact O-N 3.09Å; N322-S324 PolarHBondContact OD1-N 3.44Å; N322-S324 PolarHBondContact OD1-OG 3.27Å; N322-S324 VanDerWaalsContact OD1-OG 3.08Å; N322-H325 PolarHBondContact O-N 3.35Å
323	K	42.1	Very low	43.7	Very low	166 Å²	166	118.1 Å²	118.1	72%	0.722	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-60.9	-20.1	-175	-66.7	-178.9	-177.8	175.2	0	114.2	I321 H325 C326	I321-K323 PolarHBondContact O-N 2.86Å; I321-K323 VanDerWaalsContact O-N 3.1Å; K323-H325 PolarHBondContact O-N 3.12Å; K323-C326 PolarHBondContact O-N 3.19Å
324	S	45.9	Very low	44.6	Very low	86 Å²	86	122.6 Å²	122.6	60%	0.601	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-66.9	-16.4	-178.6	64.2	0	0	0	0	113.9	N322	N322-S324 PolarHBondContact ND2-OG 2.92Å; N322-S324 PolarHBondContact O-N 3.17Å; N322-S324 VanDerWaalsContact O-N 3.09Å; N322-S324 PolarHBondContact OD1-N 3.44Å; N322-S324 PolarHBondContact OD1-OG 3.27Å; N322-S324 VanDerWaalsContact OD1-OG 3.08Å
325	H	47.2	Very low	45.8	Very low	74 Å²	74	120.6 Å²	120.6	34%	0.343	59%	0.586	S	S	.	*	G	3₁₀ helix	trans	-109.9	8.5	-178.2	-61.6	95.9	0	0	0	113.1	N322 K323 C343 K344	N322-H325 PolarHBondContact O-N 3.35Å; K323-H325 PolarHBondContact O-N 3.12Å; H325-C343 CarbonylContact O-C 3.58Å; H325-C343 WeakPolarHBondContact O-CA 3.24Å; H325-K344 PolarHBondContact O-N 2.98Å
326	C	46.1	Very low	46.5	Very low	20 Å²	20	120.8 Å²	120.8	14%	0.135	59%	0.586	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.3	127.3	-178.6	-49.6	0	0	0	0	112.6	I321 K323 F341 L342 C343	I321-C326 VanDerWaalsContact CG2-SG 3.51Å; K323-C326 PolarHBondContact O-N 3.19Å; C326-F341 HydrophobicContact CB-CB 4.43Å; C326-F341 HydrophobicContact CB-CD1 3.69Å; C326-L342 CarbonylContact C-O 3.25Å; C326-L342 WeakPolarHBondContact CA-O 3.25Å; C326-C343 HydrophobicContact CB-CB 4.01Å; C326-C343 WeakPolarHBondContact CB-SG 2.97Å; C326-C343 WeakPolarHBondContact SG-CB 3.36Å; C326-C343 CovalentContact SG-SG 2.04Å; C326-C343 PolarHBondContact SG-SG 2.92Å
327	F	54.1	Low	47.4	Very low	130 Å²	130	113.4 Å²	113.4	57%	0.57	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.1	129.4	171.4	-61.2	-83.7	0	0	0	109.8	Y329 F341 L342 K344	F327-Y329 PolarHBondContact O-N 3.12Å; F327-F341 CarbonylContact O-C 3.55Å; F327-F341 WeakPolarHBondContact O-CA 3.25Å; F327-L342 HydrophobicContact CB-CB 4.28Å; F327-L342 PolarHBondContact N-O 3.03Å; F327-L342 PolarHBondContact O-N 3.25Å; F327-K344 HydrophobicContact CE2-CD 4.24Å; F327-K344 HydrophobicContact CE2-CG 4.13Å
328	L	48.1	Very low	48.5	Very low	94 Å²	94	111.9 Å²	111.9	49%	0.492	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.3	107.3	171.3	-164.9	84.9	0	0	0	108.9	Y339 L340 F341	L328-Y339 HydrophobicContact CD2-CD1 3.6Å; L328-Y339 HydrophobicContact CD2-CE1 4.26Å; L328-Y339 HydrophobicContact CD2-CG 4.39Å; L328-Y339 HydrophobicContact CG-CD1 4.12Å; L328-L340 CarbonylContact C-O 3.58Å; L328-L340 VanDerWaalsContact CA-O 3.29Å; L328-L340 WeakPolarHBondContact CA-O 2.98Å; L328-F341 HydrophobicContact CD1-CD1 4.09Å; L328-F341 HydrophobicContact CD1-CD2 3.74Å; L328-F341 HydrophobicContact CD1-CE1 3.77Å; L328-F341 HydrophobicContact CD1-CE2 3.36Å; L328-F341 HydrophobicContact CD1-CG 4.1Å; L328-F341 HydrophobicContact CD1-CZ 3.4Å
329	Y	50.4	Low	49.2	Very low	135 Å²	135	114.5 Å²	114.5	53%	0.529	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.5	170.8	-171.1	-94.1	0	0	0	110.4	F327 L340	F327-Y329 PolarHBondContact O-N 3.12Å; Y329-L340 HydrophobicContact CD1-CD2 4.48Å; Y329-L340 PolarHBondContact N-O 3.03Å; Y329-L340 WeakPolarHBondContact O-CB 2.97Å; Y329-L340 PolarHBondContact O-N 2.75Å
330	R	50.5	Low	49.8	Very low	146 Å²	146	110.2 Å²	110.2	55%	0.551	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	116.5	175.9	-178.8	-179.5	172.8	-170.6	-4.8	108.6	N337 Y339	R330-N337 VanDerWaalsContact CZ-OD1 3.3Å; R330-N337 PolarHBondContact NE-OD1 3.43Å; R330-N337 VanDerWaalsContact NH2-CG 3.29Å; R330-N337 PolarHBondContact NH2-ND2 3.27Å; R330-N337 VanDerWaalsContact NH2-ND2 3.1Å; R330-N337 PolarHBondContact NH2-OD1 3.48Å; R330-Y339 HydrophobicContact CB-CD1 4.39Å; R330-Y339 HydrophobicContact CB-CE1 4.47Å; R330-Y339 HydrophobicContact CG-CD1 4.45Å; R330-Y339 HydrophobicContact CG-CE1 4.23Å
331	S	51.6	Low	50.6	Low	42 Å²	42	104.2 Å²	104.2	29%	0.294	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.6	170.2	-176.1	0	0	0	0	110.5	K338	S331-K338 PolarHBondContact N-O 3.12Å; S331-K338 PolarHBondContact O-N 3.22Å; S331-K338 VanDerWaalsContact O-O 3.12Å
332	T	48.1	Very low	50.8	Low	85 Å²	85	104.1 Å²	104.1	52%	0.521	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	109.1	175.8	-51.7	0	0	0	0	108.1
333	I	51.7	Low	51	Low	82 Å²	82	101.9 Å²	101.9	42%	0.421	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126	174.6	-58.4	176.8	0	0	0	107.1	N335 K336	I333-N335 PolarHBondContact O-N 2.92Å; I333-K336 PolarHBondContact N-O 2.73Å; I333-K336 PolarHBondContact O-N 3.19Å; I333-K336 VanDerWaalsContact O-N 3.1Å
334	H	61.5	Low	51.1	Low	179 Å²	179	100.9 Å²	100.9	83%	0.829	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	51.1	-177.2	-59.9	-64.6	0	0	0	113.8	K336	H334-K336 PolarHBondContact O-N 2.77Å
335	N	62.6	Low	50.9	Low	164 Å²	164	99.4 Å²	99.4	88%	0.877	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	13.7	-179.4	-71.6	-18.1	0	0	0	115.9	I333	I333-N335 PolarHBondContact O-N 2.92Å
336	K	49.2	Very low	50.7	Low	156 Å²	156	100.7 Å²	100.7	68%	0.678	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.8	170.7	-67.2	-174.9	-179.3	179.8	0	109.8	I333 H334 K338	I333-K336 PolarHBondContact N-O 2.73Å; I333-K336 PolarHBondContact O-N 3.19Å; I333-K336 VanDerWaalsContact O-N 3.1Å; H334-K336 PolarHBondContact O-N 2.77Å; K336-K338 PolarHBondContact O-N 2.93Å
337	N	52.7	Low	51.1	Low	74 Å²	74	101.3 Å²	101.3	40%	0.396	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	117.5	169.5	-66.4	-43.7	0	0	0	108.7	R330 Y339	R330-N337 VanDerWaalsContact CZ-OD1 3.3Å; R330-N337 PolarHBondContact NE-OD1 3.43Å; R330-N337 VanDerWaalsContact NH2-CG 3.29Å; R330-N337 PolarHBondContact NH2-ND2 3.27Å; R330-N337 VanDerWaalsContact NH2-ND2 3.1Å; R330-N337 PolarHBondContact NH2-OD1 3.48Å; N337-Y339 HydrophobicContact CB-CE2 4.12Å
338	K	57.3	Low	51.6	Low	114 Å²	114	101.5 Å²	101.5	50%	0.496	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.2	162.2	-73.7	-170.1	178.5	-177	0	108.3	S331 K336	S331-K338 PolarHBondContact N-O 3.12Å; S331-K338 PolarHBondContact O-N 3.22Å; S331-K338 VanDerWaalsContact O-O 3.12Å; K336-K338 PolarHBondContact O-N 2.93Å
339	Y	51.8	Low	53.2	Low	137 Å²	137	98 Å²	98	54%	0.537	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.6	172.2	-61.3	-87.7	0	0	0	108.3	L328 R330 N337	L328-Y339 HydrophobicContact CD2-CD1 3.6Å; L328-Y339 HydrophobicContact CD2-CE1 4.26Å; L328-Y339 HydrophobicContact CD2-CG 4.39Å; L328-Y339 HydrophobicContact CG-CD1 4.12Å; R330-Y339 HydrophobicContact CB-CD1 4.39Å; R330-Y339 HydrophobicContact CB-CE1 4.47Å; R330-Y339 HydrophobicContact CG-CD1 4.45Å; R330-Y339 HydrophobicContact CG-CE1 4.23Å; N337-Y339 HydrophobicContact CB-CE2 4.12Å
340	L	52.7	Low	54.8	Low	46 Å²	46	94 Å²	94	24%	0.241	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.2	-174.7	-175.5	73.6	0	0	0	108.3	L312 L328 Y329 L342	L312-L340 HydrophobicContact CB-CD1 4.06Å; L312-L340 HydrophobicContact CD1-CD1 3.78Å; L312-L340 HydrophobicContact CD1-CD2 4.07Å; L312-L340 HydrophobicContact CD2-CD1 3.79Å; L312-L340 HydrophobicContact CD2-CD2 3.61Å; L312-L340 HydrophobicContact CD2-CG 3.93Å; L312-L340 HydrophobicContact CG-CD1 4.05Å; L312-L340 HydrophobicContact CG-CD2 4.43Å; L328-L340 CarbonylContact C-O 3.58Å; L328-L340 VanDerWaalsContact CA-O 3.29Å; L328-L340 WeakPolarHBondContact CA-O 2.98Å; Y329-L340 HydrophobicContact CD1-CD2 4.48Å; Y329-L340 PolarHBondContact N-O 3.03Å; Y329-L340 WeakPolarHBondContact O-CB 2.97Å; Y329-L340 PolarHBondContact O-N 2.75Å; L340-L342 HydrophobicContact CD2-CD2 4.16Å; L340-L342 HydrophobicContact CD2-CG 4.22Å
341	F	53.1	Low	56.4	Low	92 Å²	92	91.4 Å²	91.4	40%	0.404	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.7	171.5	-81.6	-87.9	0	0	0	109	C326 F327 L328	C326-F341 HydrophobicContact CB-CB 4.43Å; C326-F341 HydrophobicContact CB-CD1 3.69Å; F327-F341 CarbonylContact O-C 3.55Å; F327-F341 WeakPolarHBondContact O-CA 3.25Å; L328-F341 HydrophobicContact CD1-CD1 4.09Å; L328-F341 HydrophobicContact CD1-CD2 3.74Å; L328-F341 HydrophobicContact CD1-CE1 3.77Å; L328-F341 HydrophobicContact CD1-CE2 3.36Å; L328-F341 HydrophobicContact CD1-CG 4.1Å; L328-F341 HydrophobicContact CD1-CZ 3.4Å
342	L	47.8	Very low	58.3	Low	73 Å²	73	90 Å²	90	38%	0.382	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	94.6	168.6	-69.3	170.4	0	0	0	107.8	L312 C326 F327 L340	L312-L342 HydrophobicContact CD2-CD2 3.61Å; C326-L342 CarbonylContact C-O 3.25Å; C326-L342 WeakPolarHBondContact CA-O 3.25Å; F327-L342 HydrophobicContact CB-CB 4.28Å; F327-L342 PolarHBondContact N-O 3.03Å; F327-L342 PolarHBondContact O-N 3.25Å; L340-L342 HydrophobicContact CD2-CD2 4.16Å; L340-L342 HydrophobicContact CD2-CG 4.22Å
343	C	45.7	Very low	60.6	Low	44 Å²	44	89.3 Å²	89.3	30%	0.297	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	126.6	173.4	-57.3	0	0	0	0	109.4	H325 C326 S345	H325-C343 CarbonylContact O-C 3.58Å; H325-C343 WeakPolarHBondContact O-CA 3.24Å; C326-C343 HydrophobicContact CB-CB 4.01Å; C326-C343 WeakPolarHBondContact CB-SG 2.97Å; C326-C343 WeakPolarHBondContact SG-CB 3.36Å; C326-C343 CovalentContact SG-SG 2.04Å; C326-C343 PolarHBondContact SG-SG 2.92Å; C343-S345 PolarHBondContact O-N 3.45Å
344	K	44.3	Very low	62.7	Low	145 Å²	145	86.1 Å²	86.1	63%	0.63	44%	0.436	S	S	*	.			trans	-58.8	129.7	157.4	-86.6	-175	173.9	-169.4	0	106.3	H325 F327 N346	H325-K344 PolarHBondContact O-N 2.98Å; F327-K344 HydrophobicContact CE2-CD 4.24Å; F327-K344 HydrophobicContact CE2-CG 4.13Å; K344-N346 PolarHBondContact O-N 3.48Å
345	S	42.7	Very low	64.4	Low	56 Å²	56	80.9 Å²	80.9	39%	0.392	41%	0.413	S	S	.	.			trans	-61.2	73.4	178.4	52.4	0	0	0	0	111.1	C343 L347	C343-S345 PolarHBondContact O-N 3.45Å; S345-L347 PolarHBondContact O-N 3.46Å; S345-L347 VanDerWaalsContact O-N 3.12Å
346	N	42.9	Very low	65.9	Low	100 Å²	100	76 Å²	76	54%	0.535	38%	0.382	S	S	.	.			trans	-80.6	72.8	142.1	-73.6	13.7	0	0	0	104.7	K344 L348	K344-N346 PolarHBondContact O-N 3.48Å; N346-L348 PolarHBondContact O-N 3.06Å
347	L	54.9	Low	68	Low	34 Å²	34	73.6 Å²	73.6	18%	0.178	37%	0.373	C	S	.	.			trans	-53.4	108	167	-83.8	166.5	0	0	0	106.2	Y304 T305 L307 S345	Y304-L347 HydrophobicContact CD2-CB 4.41Å; Y304-L347 HydrophobicContact CE1-CB 4.24Å; Y304-L347 HydrophobicContact CE1-CD1 3.87Å; Y304-L347 HydrophobicContact CE2-CB 3.45Å; Y304-L347 VanDerWaalsContact CE2-CB 3.45Å; Y304-L347 WeakPolarHBondContact CE2-O 3.39Å; Y304-L347 WeakPolarHBondContact OH-CB 3.32Å; Y304-L347 WeakPolarHBondContact OH-CD1 3.23Å; T305-L347 WeakPolarHBondContact O-CD2 3.46Å; L307-L347 HydrophobicContact CB-CD1 4.13Å; L307-L347 HydrophobicContact CB-CD2 3.76Å; L307-L347 HydrophobicContact CB-CG 4.24Å; L307-L347 HydrophobicContact CD1-CD2 3.41Å; L307-L347 VanDerWaalsContact CD1-CD2 3.41Å; L307-L347 HydrophobicContact CD1-CG 4.1Å; L307-L347 HydrophobicContact CG-CD2 3.34Å; L307-L347 HydrophobicContact CG-CG 4.26Å; S345-L347 PolarHBondContact O-N 3.46Å; S345-L347 VanDerWaalsContact O-N 3.12Å
348	L	64.7	Low	69.9	Low	133 Å²	133	70.2 Å²	70.2	70%	0.696	36%	0.355	S	S	*	.			trans	-87.6	119.5	-177.2	-80.3	136.8	0	0	0	106.2	N346 S350	N346-L348 PolarHBondContact O-N 3.06Å; L348-S350 PolarHBondContact O-N 2.91Å; L348-S350 VanDerWaalsContact O-N 3.11Å
349	W	82.1	Confident	71.5	Confident	20 Å²	20	68.1 Å²	68.1	8%	0.076	36%	0.355	C	S	.	.			trans	-37.1	122.5	152.9	-73.2	99	0	0	0	108.9	L233 D256 L257 D258 L261 L285 L287 N302 Y304	L233-W349 HydrophobicContact CD1-CH2 3.99Å; L233-W349 HydrophobicContact CD1-CZ2 3.66Å; L233-W349 HydrophobicContact CG-CZ2 4.46Å; D256-W349 PolarHBondContact O-NE1 2.81Å; L257-W349 HydrophobicContact CD2-CH2 4.15Å; L257-W349 HydrophobicContact CD2-CZ2 3.44Å; L257-W349 VanDerWaalsContact CD2-CZ2 3.44Å; D258-W349 HydrophobicContact CB-CB 4.11Å; D258-W349 HydrophobicContact CB-CG 4.26Å; L261-W349 HydrophobicContact CD1-CD2 4.37Å; L261-W349 HydrophobicContact CD1-CE3 4.46Å; L261-W349 HydrophobicContact CD1-CG 4.41Å; L285-W349 HydrophobicContact CD2-CH2 3.49Å; L285-W349 VanDerWaalsContact CD2-CH2 3.49Å; L285-W349 HydrophobicContact CD2-CZ3 3.89Å; L287-W349 HydrophobicContact CB-CH2 3.8Å; L287-W349 HydrophobicContact CB-CZ3 3.62Å; L287-W349 HydrophobicContact CD2-CH2 3.39Å; L287-W349 HydrophobicContact CD2-CZ2 4.06Å; L287-W349 HydrophobicContact CD2-CZ3 3.84Å; L287-W349 HydrophobicContact CG-CH2 4.26Å; L287-W349 HydrophobicContact CG-CZ3 4.39Å; N302-W349 HydrophobicContact CB-CE3 3.78Å; N302-W349 HydrophobicContact CB-CZ3 4.14Å; Y304-W349 HydrophobicContact CD2-CD2 4.12Å; Y304-W349 HydrophobicContact CD2-CG 4.31Å; Y304-W349 HydrophobicContact CD2-CZ2 4.49Å
350	S	82.9	Confident	73.2	Confident	53 Å²	53	64 Å²	64	37%	0.371	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.2	174.5	69.7	0	0	0	0	108.9	I303 L348 V352	I303-S350 WeakPolarHBondContact CG2-OG 3.29Å; I303-S350 PolarHBondContact N-O 3.11Å; I303-S350 PolarHBondContact O-N 3.01Å; L348-S350 PolarHBondContact O-N 2.91Å; L348-S350 VanDerWaalsContact O-N 3.11Å; S350-V352 PolarHBondContact O-N 3.46Å
351	P	83.2	Confident	74.7	Confident	90 Å²	90	64.2 Å²	64.2	58%	0.584	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	136.5	174.7	29.3	-33.4	0	0	0	108.6
352	V	92.5	Very high	75.7	Confident	13 Å²	13	67.8 Å²	67.8	8%	0.079	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-83.6	137	170.7	-174.4	0	0	0	0	108.4	I301 I303 S350 V354 L433 F435	I301-V352 HydrophobicContact CB-CB 4.29Å; I301-V352 HydrophobicContact CG2-CB 4.17Å; I301-V352 HydrophobicContact CG2-CG2 4.07Å; I301-V352 VanDerWaalsContact O-CB 3.29Å; I301-V352 WeakPolarHBondContact O-CB 3.37Å; I301-V352 PolarHBondContact O-N 3.04Å; I303-V352 HydrophobicContact CB-CG2 3.77Å; I303-V352 HydrophobicContact CG2-CG2 3.67Å; S350-V352 PolarHBondContact O-N 3.46Å; V352-V354 PolarHBondContact O-N 3.11Å; V352-L433 HydrophobicContact CG1-CB 4.06Å; V352-L433 HydrophobicContact CG1-CD2 4.05Å; V352-L433 HydrophobicContact CG1-CG 3.87Å; V352-L433 VanDerWaalsContact CG1-O 3.28Å; V352-L433 WeakPolarHBondContact CG1-O 3.07Å; V352-L433 HydrophobicContact CG2-CD2 4.17Å; V352-F435 HydrophobicContact CG1-CD2 3.43Å; V352-F435 VanDerWaalsContact CG1-CD2 3.43Å; V352-F435 HydrophobicContact CG1-CE2 3.78Å
353	N	95.8	Very high	76.7	Confident	71 Å²	71	73.4 Å²	73.4	38%	0.38	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	120.7	174.8	178.9	51.4	0	0	0	109.1	I432 L433 T434 F435	N353-I432 HydrophobicContact CB-CG2 3.94Å; N353-L433 PolarHBondContact N-O 3.12Å; N353-T434 HydrophobicContact CB-CG2 4.43Å; N353-T434 VanDerWaalsContact ND2-CG2 3.33Å; N353-T434 WeakPolarHBondContact ND2-CG2 3.15Å; N353-T434 PolarHBondContact ND2-OG1 2.99Å; N353-T434 CarbonylContact O-C 3.47Å; N353-T434 WeakPolarHBondContact O-CA 3.49Å; N353-F435 PolarHBondContact O-N 2.69Å
354	V	96.5	Very high	77.7	Confident	15 Å²	15	72.7 Å²	72.7	9%	0.091	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.4	-178.8	-180	0	0	0	0	109.1	I301 V352 W356 F422	I301-V354 HydrophobicContact CB-CG2 4.16Å; I301-V354 HydrophobicContact CD1-CG2 4.06Å; I301-V354 HydrophobicContact CG1-CG2 4.28Å; V352-V354 PolarHBondContact O-N 3.11Å; V354-W356 HydrophobicContact CB-CD2 4.43Å; V354-W356 HydrophobicContact CB-CZ2 4.04Å; V354-W356 HydrophobicContact CG1-CD2 3.7Å; V354-W356 HydrophobicContact CG1-CE3 4.14Å; V354-W356 HydrophobicContact CG1-CG 4.08Å; V354-W356 HydrophobicContact CG1-CH2 4.16Å; V354-W356 HydrophobicContact CG1-CZ2 3.79Å; V354-W356 HydrophobicContact CG1-CZ3 4.35Å; V354-W356 HydrophobicContact CG2-CZ2 4.41Å; V354-W356 VanDerWaalsContact O-CD1 3.23Å; V354-W356 PolarHBondContact O-N 2.88Å; V354-F422 HydrophobicContact CG1-CD1 3.82Å; V354-F422 HydrophobicContact CG1-CE1 3.59Å
355	I	96.1	Very high	79.4	Confident	69 Å²	69	70.5 Å²	70.5	35%	0.354	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	97.9	169.4	-53.3	170.1	0	0	0	107	T434 F435 Q436 L437	I355-T434 HydrophobicContact CD1-CG2 4.06Å; I355-T434 HydrophobicContact CG1-CG2 4.23Å; I355-F435 PolarHBondContact N-O 2.88Å; I355-Q436 VanDerWaalsContact CB-OE1 3.27Å; I355-Q436 VanDerWaalsContact CD1-OE1 3.24Å; I355-L437 WeakPolarHBondContact O-CB 3.4Å; I355-L437 PolarHBondContact O-N 2.88Å
356	W	94.9	Very high	81.7	Confident	62 Å²	62	70.2 Å²	70.2	24%	0.235	37%	0.37	C	S	.	.			trans	-75.4	-22	-174.2	-69.6	100.1	0	0	0	114.3	S299 V354 P358 W368 L370 F422 L437	S299-W356 VanDerWaalsContact CB-CH2 3.49Å; V354-W356 HydrophobicContact CB-CD2 4.43Å; V354-W356 HydrophobicContact CB-CZ2 4.04Å; V354-W356 HydrophobicContact CG1-CD2 3.7Å; V354-W356 HydrophobicContact CG1-CE3 4.14Å; V354-W356 HydrophobicContact CG1-CG 4.08Å; V354-W356 HydrophobicContact CG1-CH2 4.16Å; V354-W356 HydrophobicContact CG1-CZ2 3.79Å; V354-W356 HydrophobicContact CG1-CZ3 4.35Å; V354-W356 HydrophobicContact CG2-CZ2 4.41Å; V354-W356 VanDerWaalsContact O-CD1 3.23Å; V354-W356 PolarHBondContact O-N 2.88Å; W356-P358 VanDerWaalsContact O-CD 3.3Å; W356-P358 WeakPolarHBondContact O-CD 3.41Å; W356-W368 HydrophobicContact CB-CB 4.35Å; W356-W368 HydrophobicContact CE3-CB 4.49Å; W356-W368 WeakPolarHBondContact O-CB 3.28Å; W356-L370 HydrophobicContact CH2-CD1 4.47Å; W356-L370 HydrophobicContact CH2-CD2 4.04Å; W356-L370 HydrophobicContact CH2-CG 3.81Å; W356-L370 HydrophobicContact CZ3-CD2 4.21Å; W356-L370 HydrophobicContact CZ3-CG 4.22Å; W356-F422 HydrophobicContact CE3-CE1 4.22Å; W356-F422 HydrophobicContact CE3-CZ 4.43Å; W356-F422 HydrophobicContact CH2-CE1 4.2Å; W356-F422 HydrophobicContact CH2-CZ 4.38Å; W356-F422 AromaticContact CZ3-CE1 3.8Å; W356-F422 HydrophobicContact CZ3-CE1 3.8Å; W356-F422 AromaticContact CZ3-CZ 3.79Å; W356-F422 HydrophobicContact CZ3-CZ 3.79Å; W356-L437 WeakPolarHBondContact O-CD2 3.49Å
357	E	92.9	Very high	84.1	Confident	105 Å²	105	69.8 Å²	69.8	49%	0.491	36%	0.361	S	S	.	.	S	Bend	trans	-69.7	120.1	173.1	178.3	168.1	-163.7	0	0	108.9	S359 N364 Q436	E357-S359 PolarHBondContact O-N 2.86Å; E357-N364 HydrophobicContact CG-CB 4.17Å; E357-Q436 PolarHBondContact O-NE2 3.28Å
358	P	92.8	Very high	86	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.013	36%	0.358	C	S	.	.			trans	-64.6	131.7	-178.2	-18.4	29.3	0	0	0	111.9	W356 N360 V361 W368 L437 L439	W356-P358 VanDerWaalsContact O-CD 3.3Å; W356-P358 WeakPolarHBondContact O-CD 3.41Å; P358-N360 PolarHBondContact O-N 3Å; P358-N360 VanDerWaalsContact O-N 3.1Å; P358-V361 HydrophobicContact CB-CB 4.3Å; P358-V361 HydrophobicContact CB-CG2 3.85Å; P358-V361 HydrophobicContact CG-CG2 4.18Å; P358-V361 PolarHBondContact O-N 3.39Å; P358-W368 HydrophobicContact CG-CD2 3.86Å; P358-W368 HydrophobicContact CG-CE3 4.32Å; P358-W368 HydrophobicContact CG-CG 4.31Å; P358-W368 HydrophobicContact CG-CH2 4.26Å; P358-W368 HydrophobicContact CG-CZ2 3.79Å; P358-W368 HydrophobicContact CG-CZ3 4.5Å; P358-L437 CarbonylContact C-O 3.43Å; P358-L437 VanDerWaalsContact CA-O 3.31Å; P358-L437 WeakPolarHBondContact CA-O 3.39Å; P358-L437 HydrophobicContact CB-CG 4.32Å; P358-L437 HydrophobicContact CG-CD2 3.92Å; P358-L437 HydrophobicContact CG-CG 4.24Å; P358-L439 HydrophobicContact CB-CD1 4.38Å; P358-L439 HydrophobicContact CB-CD2 4.38Å; P358-L439 HydrophobicContact CB-CG 3.83Å; P358-L439 HydrophobicContact CG-CD1 4.29Å; P358-L439 HydrophobicContact CG-CD2 4.16Å; P358-L439 HydrophobicContact CG-CG 3.99Å
359	S	91	Very high	87.5	Confident	70 Å²	70	63.1 Å²	63.1	49%	0.49	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.6	-174.7	69	0	0	0	0	114.5	E357 L437 T438	E357-S359 PolarHBondContact O-N 2.86Å; S359-L437 PolarHBondContact N-O 3Å; S359-T438 PolarHBondContact OG-OG1 3.13Å
360	N	87.7	Confident	88.3	Confident	51 Å²	51	62.2 Å²	62.2	27%	0.273	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	10.9	-174.2	62.2	-27.1	0	0	0	114.3	P358 T438 L439	P358-N360 PolarHBondContact O-N 3Å; P358-N360 VanDerWaalsContact O-N 3.1Å; N360-T438 HydrophobicContact CB-CG2 4.42Å; N360-L439 PolarHBondContact ND2-O 3.44Å; N360-L439 PolarHBondContact OD1-N 2.75Å; N360-L439 VanDerWaalsContact OD1-N 3.07Å
361	V	84.1	Confident	88.9	Confident	51 Å²	51	60.3 Å²	60.3	31%	0.309	31%	0.307	S	S	.	.			trans	-107.3	126.3	175.2	177.6	0	0	0	0	109	P358 N364 L439	P358-V361 HydrophobicContact CB-CB 4.3Å; P358-V361 HydrophobicContact CB-CG2 3.85Å; P358-V361 HydrophobicContact CG-CG2 4.18Å; P358-V361 PolarHBondContact O-N 3.39Å; V361-N364 HydrophobicContact CG1-CB 4.26Å; V361-L439 HydrophobicContact CG2-CD1 3.68Å; V361-L439 HydrophobicContact CG2-CG 4.38Å
362	K	74.7	Confident	89.4	Confident	167 Å²	167	57.6 Å²	57.6	73%	0.726	29%	0.29	S	S	*	.	S	Bend	trans	-85.2	138.2	175.5	-65.3	-178.6	-179.6	177	0	109.8
363	E	67.7	Low	89.6	Confident	190 Å²	190	57.2 Å²	57.2	89%	0.888	29%	0.288	S	S	*	.	S	Bend	trans	56.2	64.3	173.8	-63.5	-179.1	178.6	0	0	114.3	T365	E363-T365 PolarHBondContact O-N 2.9Å
364	N	66.6	Low	89.4	Confident	30 Å²	30	55 Å²	55	16%	0.16	28%	0.278	C	S	.	.			trans	-91.2	100.9	-174.5	-176.5	34.9	0	0	0	112.8	E357 V361 M366 W368	E357-N364 HydrophobicContact CG-CB 4.17Å; V361-N364 HydrophobicContact CG1-CB 4.26Å; N364-M366 PolarHBondContact ND2-O 2.97Å; N364-M366 WeakPolarHBondContact OD1-CA 3.36Å; N364-M366 WeakPolarHBondContact OD1-CB 3.5Å; N364-M366 WeakPolarHBondContact OD1-CG 3.32Å; N364-M366 PolarHBondContact OD1-N 2.99Å; N364-W368 VanDerWaalsContact ND2-CD1 3.32Å; N364-W368 PolarHBondContact ND2-NE1 2.89Å; N364-W368 PolarHBondContact OD1-NE1 2.02Å
365	T	81.5	Confident	89	Confident	98 Å²	98	59.6 Å²	59.6	60%	0.601	30%	0.298	S	S	*	.			trans	-84.1	2.8	166.3	54.8	0	0	0	0	112.9	E363	E363-T365 PolarHBondContact O-N 2.9Å
366	M	89.6	Confident	88.7	Confident	51 Å²	51	57 Å²	57	25%	0.251	29%	0.285	S	S	.	.			trans	-91.3	150.2	-173.7	-47.4	-77.7	-78.6	0	0	111.3	N364 W408 M415	N364-M366 PolarHBondContact ND2-O 2.97Å; N364-M366 WeakPolarHBondContact OD1-CA 3.36Å; N364-M366 WeakPolarHBondContact OD1-CB 3.5Å; N364-M366 WeakPolarHBondContact OD1-CG 3.32Å; N364-M366 PolarHBondContact OD1-N 2.99Å; M366-W408 WeakPolarHBondContact CA-O 3.18Å; M366-M415 HydrophobicContact CE-CB 3.28Å; M366-M415 HydrophobicContact CE-CE 4.24Å; M366-M415 HydrophobicContact CE-CG 3.31Å
367	R	93.6	Very high	88.2	Confident	91 Å²	91	63.9 Å²	63.9	34%	0.343	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	142.3	173.8	-55.4	163.6	70.2	-179.5	18.4	108.5	L296 D297 S407 W408	L296-R367 HydrophobicContact CD1-CB 4.32Å; D297-R367 IonicContact OD1-CZ 3.11Å; D297-R367 VanDerWaalsContact OD1-CZ 3.27Å; D297-R367 IonicContact OD1-NE 2.7Å; D297-R367 PolarHBondContact OD1-NE 2.89Å; D297-R367 IonicContact OD1-NH2 2.73Å; D297-R367 PolarHBondContact OD1-NH2 3.1Å; D297-R367 IonicContact OD2-CZ 3.94Å; D297-R367 VanDerWaalsContact OD2-CZ 3.31Å; D297-R367 IonicContact OD2-NH1 2.78Å; D297-R367 IonicContact OD2-NH2 3.19Å; D297-R367 PolarHBondContact OD2-NH2 2.75Å; R367-S407 CarbonylContact O-C 3.59Å; R367-W408 HydrophobicContact CB-CB 4.22Å; R367-W408 PolarHBondContact N-O 2.99Å; R367-W408 PolarHBondContact O-N 3.41Å
368	W	95.4	Very high	87.9	Confident	27 Å²	27	60.6 Å²	60.6	10%	0.102	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.7	-174.4	-66.1	85.3	0	0	0	110.7	W356 P358 N364 V405 T406 Y418 L437 L439	W356-W368 HydrophobicContact CB-CB 4.35Å; W356-W368 HydrophobicContact CE3-CB 4.49Å; W356-W368 WeakPolarHBondContact O-CB 3.28Å; P358-W368 HydrophobicContact CG-CD2 3.86Å; P358-W368 HydrophobicContact CG-CE3 4.32Å; P358-W368 HydrophobicContact CG-CG 4.31Å; P358-W368 HydrophobicContact CG-CH2 4.26Å; P358-W368 HydrophobicContact CG-CZ2 3.79Å; P358-W368 HydrophobicContact CG-CZ3 4.5Å; N364-W368 VanDerWaalsContact ND2-CD1 3.32Å; N364-W368 PolarHBondContact ND2-NE1 2.89Å; N364-W368 PolarHBondContact OD1-NE1 2.02Å; W368-V405 HydrophobicContact CE3-CB 4.35Å; W368-V405 HydrophobicContact CE3-CG2 4.03Å; W368-V405 HydrophobicContact CZ3-CG2 4.05Å; W368-T406 WeakPolarHBondContact CA-O 3.21Å; W368-Y418 HydrophobicContact CH2-CD2 4.07Å; W368-Y418 HydrophobicContact CH2-CE2 4.3Å; W368-Y418 AromaticContact CZ3-CD2 3.85Å; W368-Y418 HydrophobicContact CZ3-CD2 3.85Å; W368-Y418 HydrophobicContact CZ3-CE2 4.44Å; W368-L437 HydrophobicContact CB-CD2 4.29Å; W368-L437 HydrophobicContact CD2-CD2 4.45Å; W368-L437 HydrophobicContact CE3-CD2 4.32Å; W368-L437 HydrophobicContact CG-CD2 4.45Å; W368-L439 HydrophobicContact CE3-CD2 4.33Å; W368-L439 HydrophobicContact CH2-CD1 3.55Å; W368-L439 HydrophobicContact CH2-CD2 4.02Å; W368-L439 HydrophobicContact CH2-CG 4.34Å; W368-L439 HydrophobicContact CZ2-CD1 4.23Å; W368-L439 HydrophobicContact CZ3-CD1 4.1Å; W368-L439 HydrophobicContact CZ3-CD2 3.68Å; W368-L439 HydrophobicContact CZ3-CG 4.48Å
369	S	96.7	Very high	87.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	166.8	-179.9	73.9	0	0	0	0	111	C295 S299 V405 T406 W408	C295-S369 VanDerWaalsContact O-CB 3.23Å; C295-S369 WeakPolarHBondContact O-CB 3.48Å; S299-S369 WeakPolarHBondContact OG-CB 3.5Å; S369-V405 CarbonylContact O-C 3.55Å; S369-V405 WeakPolarHBondContact O-CA 3.08Å; S369-V405 WeakPolarHBondContact O-CB 3.42Å; S369-T406 PolarHBondContact N-O 2.87Å; S369-T406 VanDerWaalsContact N-O 3.1Å; S369-T406 PolarHBondContact O-N 2.88Å; S369-W408 PolarHBondContact OG-NE1 3.38Å
370	L	97.1	Very high	87.9	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	164	162.1	-59	172.5	0	0	0	110.1	P288 C295 S299 W356 L385 L403 F422	P288-L370 HydrophobicContact CB-CD1 3.96Å; C295-L370 WeakPolarHBondContact CB-O 3Å; S299-L370 PolarHBondContact OG-N 2.69Å; W356-L370 HydrophobicContact CH2-CD1 4.47Å; W356-L370 HydrophobicContact CH2-CD2 4.04Å; W356-L370 HydrophobicContact CH2-CG 3.81Å; W356-L370 HydrophobicContact CZ3-CD2 4.21Å; W356-L370 HydrophobicContact CZ3-CG 4.22Å; L370-L385 HydrophobicContact CB-CD2 4.47Å; L370-L385 HydrophobicContact CD1-CD1 3.92Å; L370-L403 HydrophobicContact CD2-CD1 3.93Å; L370-F422 HydrophobicContact CD2-CE2 4.25Å; L370-F422 HydrophobicContact CD2-CZ 3.91Å
371	T	95.6	Very high	88.2	Confident	12 Å²	12	55.8 Å²	55.8	7%	0.074	27%	0.273	C	S	.	.			trans	-121	125.4	179.5	-52.3	0	0	0	0	111.4	L385 I386 G404 V405 T406 V417	T371-L385 WeakPolarHBondContact O-CA 3.32Å; T371-I386 HydrophobicContact CG2-CD1 3.61Å; T371-I386 HydrophobicContact CG2-CG1 4.47Å; T371-I386 PolarHBondContact O-N 2.77Å; T371-G404 PolarHBondContact N-O 3.5Å; T371-G404 VanDerWaalsContact N-O 3.11Å; T371-G404 PolarHBondContact OG1-O 3.19Å; T371-V405 VanDerWaalsContact OG1-CA 3.25Å; T371-V405 WeakPolarHBondContact OG1-CA 3.34Å; T371-V405 PolarHBondContact OG1-N 2.88Å; T371-V405 PolarHBondContact OG1-O 2.98Å; T371-T406 WeakPolarHBondContact CG2-OG1 3.27Å; T371-T406 PolarHBondContact OG1-N 3.27Å; T371-T406 PolarHBondContact OG1-OG1 3.13Å; T371-V417 HydrophobicContact CG2-CG1 3.82Å; T371-V417 HydrophobicContact CG2-CG2 3.91Å
372	S	95.4	Very high	88.8	Confident	33 Å²	33	54.4 Å²	54.4	23%	0.231	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-63.8	134.3	167.3	-56.6	0	0	0	0	111.2	A293 S384	A293-S372 PolarHBondContact O-OG 2.99Å; S372-S384 CarbonylContact C-O 3.51Å; S372-S384 WeakPolarHBondContact CA-O 3.48Å
373	T	95.1	Very high	89.7	Confident	6 Å²	6	46.7 Å²	46.7	4%	0.037	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-68.8	127.2	-179.6	-56.1	0	0	0	0	110.6	Q375 T382 S383 S384 L385 I386 R453	T373-Q375 PolarHBondContact O-N 3.04Å; T373-Q375 PolarHBondContact O-NE2 2.82Å; T373-T382 WeakPolarHBondContact CG2-OG1 3.27Å; T373-S383 WeakPolarHBondContact CB-O 3.49Å; T373-S383 PolarHBondContact OG1-O 2.93Å; T373-S384 PolarHBondContact N-O 2.83Å; T373-L385 PolarHBondContact OG1-O 3.03Å; T373-I386 PolarHBondContact OG1-N 3.45Å; T373-I386 VanDerWaalsContact OG1-N 3.13Å; T373-R453 HydrophobicContact CG2-CG 3.75Å; T373-R453 WeakPolarHBondContact CG2-O 3.13Å
374	P	93	Very high	91	Very high	25 Å²	25	38.9 Å²	38.9	16%	0.162	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-64.6	130.7	177.5	26.2	-34.1	0	0	0	111	L452 R453 L473	P374-L452 WeakPolarHBondContact CD-O 3.45Å; P374-L452 VanDerWaalsContact CG-O 3.24Å; P374-L452 WeakPolarHBondContact CG-O 3.28Å; P374-R453 HydrophobicContact CG-CB 4.13Å; P374-R453 HydrophobicContact CG-CG 4.28Å; P374-L473 HydrophobicContact CB-CD1 3.89Å; P374-L473 HydrophobicContact CG-CD1 3.75Å
375	Q	87.6	Confident	92.4	Very high	111 Å²	111	37.5 Å²	37.5	52%	0.519	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-77.9	144	178.1	-56.1	-56.8	-56.6	0	0	110.6	D127 T373	D127-Q375 PolarHBondContact OD2-OE1 3.33Å; T373-Q375 PolarHBondContact O-N 3.04Å; T373-Q375 PolarHBondContact O-NE2 2.82Å
376	I	89.7	Confident	93.1	Very high	14 Å²	14	32.9 Å²	32.9	7%	0.072	16%	0.163	C	C	.	.			trans	-128.4	151.1	174.8	58.7	178.6	0	0	0	109.1	S378 R453 L473 D477	I376-S378 VanDerWaalsContact C-N 3.31Å; I376-S378 WeakPolarHBondContact CD1-O 3.23Å; I376-S378 WeakPolarHBondContact CG1-O 3.27Å; I376-S378 PolarHBondContact O-N 2.75Å; I376-R453 VanDerWaalsContact CD1-CZ 3.46Å; I376-L473 HydrophobicContact CG2-CD1 3.44Å; I376-L473 VanDerWaalsContact CG2-CD1 3.44Å; I376-L473 HydrophobicContact CG2-CD2 3.83Å; I376-L473 HydrophobicContact CG2-CG 4.28Å; I376-D477 HydrophobicContact CG2-CB 4.47Å
377	K	84.7	Confident	93.4	Very high	206 Å²	206	31.1 Å²	31.1	90%	0.896	16%	0.158	S	C	*	.	S	Bend	trans	-64.1	-34.4	-174.6	-66.6	179.9	-178.3	173.2	0	113.5
378	S	86.5	Confident	93.4	Very high	36 Å²	36	27.1 Å²	27.1	25%	0.252	14%	0.144	S	C	.	.	S	Bend	trans	-146.7	146.9	178.4	-161.9	0	0	0	0	108.9	D61 P102 I376	D61-S378 PolarHBondContact O-OG 3.11Å; P102-S378 WeakPolarHBondContact CG-OG 3.47Å; I376-S378 VanDerWaalsContact C-N 3.31Å; I376-S378 WeakPolarHBondContact CD1-O 3.23Å; I376-S378 WeakPolarHBondContact CG1-O 3.27Å; I376-S378 PolarHBondContact O-N 2.75Å
379	G	87.6	Confident	93.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	140.4	-170.2	-178	0	0	0	0	0	112.8	R104	R104-G379 VanDerWaalsContact CD-O 3.28Å; R104-G379 WeakPolarHBondContact CD-O 3.49Å; R104-G379 PolarHBondContact NE-O 3.39Å; R104-G379 PolarHBondContact NH1-O 3.04Å
380	L	95.3	Very high	93.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.154	C	C	.	.			trans	-71.5	141.8	-176.9	-63.8	175.9	0	0	0	111.9	Q40 L41 A42 A58 V103 R104 R453	Q40-L380 HydrophobicContact CB-CD1 3.85Å; Q40-L380 HydrophobicContact CB-CG 4.34Å; L41-L380 WeakPolarHBondContact O-CD1 3.45Å; A42-L380 HydrophobicContact CB-CD1 3.83Å; A58-L380 HydrophobicContact CB-CD1 3.94Å; A58-L380 HydrophobicContact CB-CD2 3.95Å; A58-L380 HydrophobicContact CB-CG 3.91Å; V103-L380 HydrophobicContact CG1-CD2 4.16Å; R104-L380 CarbonylContact O-C 3.59Å; R104-L380 WeakPolarHBondContact O-CA 3.19Å; L380-R453 PolarHBondContact O-NH1 3.5Å; L380-R453 VanDerWaalsContact O-NH1 3.09Å; L380-R453 PolarHBondContact O-NH2 2.81Å
381	L	95.2	Very high	93.1	Very high	21 Å²	21	28.8 Å²	28.8	11%	0.11	16%	0.161	C	C	.	.			trans	-63	143.2	165.7	-68	166.6	0	0	0	109.4	R104 D127 F131 C550 S551	R104-L381 HydrophobicContact CB-CD1 3.94Å; R104-L381 HydrophobicContact CB-CG 4Å; R104-L381 VanDerWaalsContact NH2-CD2 3.32Å; R104-L381 WeakPolarHBondContact O-CB 3.11Å; R104-L381 PolarHBondContact O-N 2.92Å; D127-L381 HydrophobicContact CB-CD2 4.19Å; F131-L381 HydrophobicContact CE1-CD1 3.8Å; F131-L381 HydrophobicContact CE2-CD1 4.38Å; F131-L381 HydrophobicContact CZ-CD1 3.65Å; L381-C550 CarbonylContact O-C 3.53Å; L381-S551 PolarHBondContact O-OG 2.88Å
382	T	95.2	Very high	92.9	Very high	22 Å²	22	28.6 Å²	28.6	14%	0.135	16%	0.159	C	C	.	.			trans	-137.3	162.4	-178.6	47	0	0	0	0	108.4	T373 R453 Q454 C550	T373-T382 WeakPolarHBondContact CG2-OG1 3.27Å; T382-R453 VanDerWaalsContact CG2-NH1 3.33Å; T382-Q454 HydrophobicContact CG2-CG 3.75Å; T382-C550 WeakPolarHBondContact CA-O 3.43Å
383	S	95.5	Very high	92.7	Very high	5 Å²	5	28.4 Å²	28.4	4%	0.035	16%	0.157	C	C	.	.			trans	-57.4	148.1	166.5	-176.7	0	0	0	0	111.2	Y207 G270 L271 T373 L385 G387 C550	Y207-S383 WeakPolarHBondContact OH-CA 3.45Å; Y207-S383 PolarHBondContact OH-OG 3.08Å; G270-S383 WeakPolarHBondContact CA-OG 3.44Å; L271-S383 WeakPolarHBondContact CB-OG 3.45Å; L271-S383 PolarHBondContact N-OG 2.88Å; T373-S383 WeakPolarHBondContact CB-O 3.49Å; T373-S383 PolarHBondContact OG1-O 2.93Å; S383-L385 CarbonylContact C-O 3.55Å; S383-L385 WeakPolarHBondContact CB-O 3.49Å; S383-L385 PolarHBondContact O-N 2.82Å; S383-L385 PolarHBondContact OG-O 2.94Å; S383-G387 WeakPolarHBondContact CB-O 3.19Å; S383-G387 PolarHBondContact OG-O 2.73Å; S383-C550 PolarHBondContact N-O 2.92Å
384	S	94.8	Very high	92.3	Very high	27 Å²	27	31.3 Å²	31.3	19%	0.189	17%	0.172	C	C	.	.	S	Bend	trans	-68.9	-18.3	178.9	-52.5	0	0	0	0	113	L205 Y207 V268 L269 S372 T373	L205-S384 WeakPolarHBondContact CD2-OG 3.3Å; Y207-S384 PolarHBondContact OH-N 3.32Å; Y207-S384 PolarHBondContact OH-OG 2.95Å; V268-S384 WeakPolarHBondContact CG1-O 3.26Å; L269-S384 WeakPolarHBondContact O-CB 3.27Å; S372-S384 CarbonylContact C-O 3.51Å; S372-S384 WeakPolarHBondContact CA-O 3.48Å; T373-S384 PolarHBondContact N-O 2.83Å
385	L	96.1	Very high	92	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-110.1	146.8	164.7	-61.8	176.9	0	0	0	108.6	V268 P288 L370 T371 T373 S383 G387	V268-L385 HydrophobicContact CB-CD2 4.16Å; V268-L385 HydrophobicContact CG1-CD2 3.62Å; V268-L385 HydrophobicContact CG1-CG 3.95Å; P288-L385 HydrophobicContact CB-CD1 3.92Å; P288-L385 HydrophobicContact CG-CD1 4.42Å; P288-L385 WeakPolarHBondContact O-CD1 3.27Å; L370-L385 HydrophobicContact CB-CD2 4.47Å; L370-L385 HydrophobicContact CD1-CD1 3.92Å; T371-L385 WeakPolarHBondContact O-CA 3.32Å; T373-L385 PolarHBondContact OG1-O 3.03Å; S383-L385 CarbonylContact C-O 3.55Å; S383-L385 WeakPolarHBondContact CB-O 3.49Å; S383-L385 PolarHBondContact O-N 2.82Å; S383-L385 PolarHBondContact OG-O 2.94Å; L385-G387 PolarHBondContact O-N 3.01Å; L385-G387 VanDerWaalsContact O-O 3.11Å
386	I	95.9	Very high	91.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.153	C	C	.	.	S	Bend	trans	-67.2	121.1	-177.6	-61.2	171.1	0	0	0	109.4	T371 T373 L403 G404 V417 L452 L455	T371-I386 HydrophobicContact CG2-CD1 3.61Å; T371-I386 HydrophobicContact CG2-CG1 4.47Å; T371-I386 PolarHBondContact O-N 2.77Å; T373-I386 PolarHBondContact OG1-N 3.45Å; T373-I386 VanDerWaalsContact OG1-N 3.13Å; I386-L403 WeakPolarHBondContact O-CA 3.18Å; I386-L403 VanDerWaalsContact O-CD2 3.24Å; I386-L403 WeakPolarHBondContact O-CD2 3.42Å; I386-G404 PolarHBondContact O-N 3.37Å; I386-V417 HydrophobicContact CD1-CG1 4.23Å; I386-L452 HydrophobicContact CD1-CB 3.82Å; I386-L452 HydrophobicContact CD1-CD2 4.08Å; I386-L452 HydrophobicContact CD1-CG 3.85Å; I386-L452 WeakPolarHBondContact CD1-O 3.18Å; I386-L452 HydrophobicContact CG2-CD2 3.76Å; I386-L452 HydrophobicContact CG2-CG 3.8Å; I386-L455 HydrophobicContact CG2-CB 4.13Å
387	G	94.5	Very high	91.7	Very high	14 Å²	14	26.9 Å²	26.9	14%	0.144	15%	0.152	C	C	.	.			trans	91.3	-145.2	-170.4	0	0	0	0	0	111	S383 L385	S383-G387 WeakPolarHBondContact CB-O 3.19Å; S383-G387 PolarHBondContact OG-O 2.73Å; L385-G387 PolarHBondContact O-N 3.01Å; L385-G387 VanDerWaalsContact O-O 3.11Å
388	P	95	Very high	92	Very high	7 Å²	7	19 Å²	19	5%	0.045	12%	0.117	C	C	.	.			cis	-69.5	139.9	-16.6	28.7	-32.4	0	0	0	112	L271 V273 P288 L401 G402 L403	L271-P388 VanDerWaalsContact O-CD 3.29Å; L271-P388 WeakPolarHBondContact O-CD 3.47Å; L271-P388 VanDerWaalsContact O-CG 3.25Å; L271-P388 WeakPolarHBondContact O-CG 3.42Å; V273-P388 HydrophobicContact CB-CG 4.44Å; V273-P388 HydrophobicContact CG1-CB 4.36Å; V273-P388 HydrophobicContact CG1-CG 3.6Å; V273-P388 HydrophobicContact CG2-CB 4.41Å; V273-P388 HydrophobicContact CG2-CG 4.01Å; P288-P388 HydrophobicContact CG-CG 4.28Å; P388-L401 HydrophobicContact CB-CD2 4.38Å; P388-G402 CarbonylContact C-O 3.55Å; P388-G402 VanDerWaalsContact CA-O 3.32Å; P388-G402 WeakPolarHBondContact CA-O 3.29Å; P388-L403 HydrophobicContact CB-CD2 3.77Å; P388-L403 HydrophobicContact CB-CG 4.22Å
389	A	95.3	Very high	92.4	Very high	8 Å²	8	17.6 Å²	17.6	7%	0.066	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	146	157.6	0	0	0	0	0	108.7	L401 G402 L455 F457	A389-L401 CarbonylContact O-C 3.58Å; A389-L401 WeakPolarHBondContact O-CA 3.35Å; A389-G402 PolarHBondContact N-O 2.89Å; A389-G402 PolarHBondContact O-N 3.49Å; A389-L455 HydrophobicContact CB-CD2 3.86Å; A389-F457 HydrophobicContact CB-CD2 3.68Å; A389-F457 HydrophobicContact CB-CE2 3.86Å; A389-F457 HydrophobicContact CB-CG 4.08Å; A389-F457 HydrophobicContact CB-CZ 4.4Å; A389-F457 WeakPolarHBondContact O-CE2 3.47Å
390	V	95.1	Very high	92.8	Very high	40 Å²	40	17.6 Å²	17.6	24%	0.242	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.9	178.8	-171.4	0	0	0	0	109.9	V273 N275 F277 P399 L401 F457	V273-V390 HydrophobicContact CB-CG2 3.59Å; V273-V390 HydrophobicContact CG1-CG2 3.71Å; V273-V390 HydrophobicContact CG2-CG2 3.63Å; N275-V390 HydrophobicContact CB-CG1 4.17Å; N275-V390 VanDerWaalsContact ND2-CG1 3.28Å; N275-V390 WeakPolarHBondContact ND2-CG1 3.44Å; F277-V390 HydrophobicContact CE1-CG1 4.1Å; F277-V390 HydrophobicContact CZ-CG1 4.14Å; F277-V390 HydrophobicContact CZ-CG2 4.28Å; V390-P399 HydrophobicContact CG1-CB 3.86Å; V390-L401 HydrophobicContact CG2-CD2 3.89Å; V390-F457 VanDerWaalsContact C-CD2 3.47Å
391	G	92.9	Very high	92.8	Very high	15 Å²	15	17.6 Å²	17.6	16%	0.155	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.5	160.4	-179.6	0	0	0	0	0	110.2	D400	G391-D400 PolarHBondContact N-O 3.5Å; G391-D400 CarbonylContact O-C 3.56Å; G391-D400 VanDerWaalsContact O-CA 3.29Å; G391-D400 WeakPolarHBondContact O-CA 3.48Å; G391-D400 WeakPolarHBondContact O-CB 3.22Å; G391-D400 PolarHBondContact O-N 3.15Å
392	D	91	Very high	92.9	Very high	7 Å²	7	16.6 Å²	16.6	4%	0.037	10%	0.102	C	C	.	.			trans	-95.7	94.4	177.4	177.3	5.3	0	0	0	108.6	N394 M395 D396 G397 G561	D392-N394 VanDerWaalsContact C-N 3.35Å; D392-N394 PolarHBondContact OD1-OD1 2.73Å; D392-N394 VanDerWaalsContact OD1-OD1 3.11Å; D392-M395 VanDerWaalsContact CG-CA 3.46Å; D392-M395 VanDerWaalsContact O-SD 3.41Å; D392-M395 WeakPolarHBondContact OD1-CA 3.23Å; D392-M395 PolarHBondContact OD1-N 3.27Å; D392-M395 VanDerWaalsContact OD2-C 3.31Å; D392-M395 VanDerWaalsContact OD2-CA 3.29Å; D392-M395 WeakPolarHBondContact OD2-CA 3.38Å; D392-D396 PolarHBondContact OD1-N 3.1Å; D392-D396 VanDerWaalsContact OD1-N 3.08Å; D392-D396 PolarHBondContact OD2-N 3.44Å; D392-G397 WeakPolarHBondContact OD2-CA 3.48Å; D392-G397 PolarHBondContact OD2-N 3.43Å; D392-G561 WeakPolarHBondContact OD2-CA 3.37Å; D392-G561 PolarHBondContact OD2-N 3.05Å
393	V	90.1	Very high	92.9	Very high	30 Å²	30	15.6 Å²	15.6	18%	0.182	10%	0.096	C	C	.	.	S	Bend	trans	-80.4	-21.9	-172	-57.4	0	0	0	0	112.3	D400 V421 F457 L466	V393-D400 HydrophobicContact CG2-CB 4.33Å; V393-D400 VanDerWaalsContact CG2-OD2 3.26Å; V393-D400 WeakPolarHBondContact CG2-OD2 3.38Å; V393-D400 PolarHBondContact N-OD2 3.41Å; V393-V421 HydrophobicContact CG1-CG1 4.5Å; V393-V421 HydrophobicContact CG2-CG1 3.64Å; V393-V421 HydrophobicContact CG2-CG2 4.47Å; V393-F457 HydrophobicContact CG1-CD1 4.13Å; V393-F457 HydrophobicContact CG1-CE1 3.52Å; V393-F457 HydrophobicContact CG1-CE2 4.24Å; V393-F457 HydrophobicContact CG1-CZ 3.57Å; V393-L466 HydrophobicContact CG1-CB 4.28Å; V393-L466 HydrophobicContact CG1-CD1 4.09Å
394	N	87.6	Confident	93	Very high	66 Å²	66	15.4 Å²	15.4	35%	0.353	10%	0.095	S	C	.	.	S	Bend	trans	-102.5	-1.5	-179.3	72.9	22.1	0	0	0	112.9	D392 D396 V423	D392-N394 VanDerWaalsContact C-N 3.35Å; D392-N394 PolarHBondContact OD1-OD1 2.73Å; D392-N394 VanDerWaalsContact OD1-OD1 3.11Å; N394-D396 VanDerWaalsContact C-N 3.28Å; N394-D396 PolarHBondContact O-N 3.15Å; N394-D396 WeakPolarHBondContact OD1-CB 3.45Å; N394-D396 PolarHBondContact OD1-N 3.25Å; N394-V423 WeakPolarHBondContact ND2-CG1 3.37Å
395	M	86.6	Confident	93	Very high	7 Å²	7	14.1 Å²	14.1	3%	0.034	9%	0.086	C	C	.	.			trans	61.3	31.6	176.4	-56.2	-66.1	-73.4	0	0	113.4	D392 P492 F494 I559 G561 G563	D392-M395 VanDerWaalsContact CG-CA 3.46Å; D392-M395 VanDerWaalsContact O-SD 3.41Å; D392-M395 WeakPolarHBondContact OD1-CA 3.23Å; D392-M395 PolarHBondContact OD1-N 3.27Å; D392-M395 VanDerWaalsContact OD2-C 3.31Å; D392-M395 VanDerWaalsContact OD2-CA 3.29Å; D392-M395 WeakPolarHBondContact OD2-CA 3.38Å; M395-P492 HydrophobicContact CB-CB 3.69Å; M395-P492 HydrophobicContact CB-CG 3.72Å; M395-P492 HydrophobicContact CG-CB 4.32Å; M395-P492 HydrophobicContact CG-CG 3.77Å; M395-F494 HydrophobicContact CE-CB 3.17Å; M395-F494 HydrophobicContact CE-CD1 4.37Å; M395-F494 HydrophobicContact CE-CG 3.93Å; M395-I559 HydrophobicContact CE-CG2 3.59Å; M395-I559 HydrophobicContact SD-CG2 3.87Å; M395-G561 CarbonylContact O-C 3.49Å; M395-G561 WeakPolarHBondContact O-CA 3.29Å; M395-G563 WeakPolarHBondContact O-CA 3.39Å; M395-G563 PolarHBondContact O-N 3.01Å
396	D	85.7	Confident	92.9	Very high	47 Å²	47	14.3 Å²	14.3	25%	0.251	9%	0.087	S	C	.	.	S	Bend	trans	-91.3	-1.2	179.9	90.1	7	0	0	0	114.4	D392 N394 K398	D392-D396 PolarHBondContact OD1-N 3.1Å; D392-D396 VanDerWaalsContact OD1-N 3.08Å; D392-D396 PolarHBondContact OD2-N 3.44Å; N394-D396 VanDerWaalsContact C-N 3.28Å; N394-D396 PolarHBondContact O-N 3.15Å; N394-D396 WeakPolarHBondContact OD1-CB 3.45Å; N394-D396 PolarHBondContact OD1-N 3.25Å; D396-K398 VanDerWaalsContact OD1-CB 3.3Å; D396-K398 WeakPolarHBondContact OD1-CB 3.31Å; D396-K398 PolarHBondContact OD1-N 2.83Å; D396-K398 IonicContact OD1-NZ 2.69Å; D396-K398 PolarHBondContact OD1-NZ 3Å; D396-K398 IonicContact OD2-NZ 2.8Å; D396-K398 PolarHBondContact OD2-NZ 2.81Å
397	G	86.2	Confident	92.8	Very high	4 Å²	4	14.4 Å²	14.4	4%	0.041	9%	0.088	C	C	.	.	S	Bend	trans	95.3	-18.8	179.8	0	0	0	0	0	114.3	Y279 D392 G561	Y279-G397 VanDerWaalsContact CE2-C 3.5Å; Y279-G397 WeakPolarHBondContact CE2-O 3.48Å; D392-G397 WeakPolarHBondContact OD2-CA 3.48Å; D392-G397 PolarHBondContact OD2-N 3.43Å; G397-G561 WeakPolarHBondContact CA-O 3.32Å; G397-G561 PolarHBondContact N-O 2.87Å
398	K	90.8	Very high	92.8	Very high	39 Å²	39	14.5 Å²	14.5	17%	0.17	8%	0.084	C	C	.	.	S	Bend	trans	-90.8	134.6	-177.7	-70.2	173.1	-126.1	61.9	0	110.8	Y279 D396 D400 N424	Y279-K398 HydrophobicContact CD1-CG 4.3Å; Y279-K398 HydrophobicContact CD2-CG 3.93Å; Y279-K398 HydrophobicContact CE2-CG 4.41Å; Y279-K398 HydrophobicContact CG-CG 3.88Å; D396-K398 VanDerWaalsContact OD1-CB 3.3Å; D396-K398 WeakPolarHBondContact OD1-CB 3.31Å; D396-K398 PolarHBondContact OD1-N 2.83Å; D396-K398 IonicContact OD1-NZ 2.69Å; D396-K398 PolarHBondContact OD1-NZ 3Å; D396-K398 IonicContact OD2-NZ 2.8Å; D396-K398 PolarHBondContact OD2-NZ 2.81Å; K398-D400 PolarHBondContact O-N 2.8Å; K398-N424 HydrophobicContact CB-CB 3.84Å
399	P	94.5	Very high	92.7	Very high	8 Å²	8	15 Å²	15	5%	0.052	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-64.5	124	176.2	-21.6	32.9	0	0	0	112	N275 D276 F277 V390 N424	N275-P399 HydrophobicContact CB-CB 4.29Å; N275-P399 HydrophobicContact CB-CG 4.17Å; D276-P399 WeakPolarHBondContact O-CD 3.09Å; D276-P399 WeakPolarHBondContact O-CG 3.38Å; F277-P399 HydrophobicContact CD1-CB 3.98Å; F277-P399 HydrophobicContact CE1-CB 3.93Å; V390-P399 HydrophobicContact CG1-CB 3.86Å; P399-N424 VanDerWaalsContact O-CB 3.32Å; P399-N424 WeakPolarHBondContact O-CB 3.44Å; P399-N424 PolarHBondContact O-ND2 3.45Å; P399-N424 VanDerWaalsContact O-ND2 3.12Å
400	D	95.1	Very high	92.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	166.7	170.3	-55.3	-54.1	0	0	0	111	G391 V393 K398 V421 V423 N424	G391-D400 PolarHBondContact N-O 3.5Å; G391-D400 CarbonylContact O-C 3.56Å; G391-D400 VanDerWaalsContact O-CA 3.29Å; G391-D400 WeakPolarHBondContact O-CA 3.48Å; G391-D400 WeakPolarHBondContact O-CB 3.22Å; G391-D400 PolarHBondContact O-N 3.15Å; V393-D400 HydrophobicContact CG2-CB 4.33Å; V393-D400 VanDerWaalsContact CG2-OD2 3.26Å; V393-D400 WeakPolarHBondContact CG2-OD2 3.38Å; V393-D400 PolarHBondContact N-OD2 3.41Å; K398-D400 PolarHBondContact O-N 2.8Å; D400-V421 HydrophobicContact CB-CG1 3.98Å; D400-V423 VanDerWaalsContact OD1-CA 3.22Å; D400-V423 WeakPolarHBondContact OD1-CA 3.24Å; D400-N424 PolarHBondContact OD1-N 3.45Å
401	L	96.3	Very high	92.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.8	177.5	-56.5	168.2	0	0	0	112.1	V273 F277 L286 I301 P388 A389 V390 L403 V421 F422 F435	V273-L401 HydrophobicContact CG2-CD2 4.1Å; F277-L401 HydrophobicContact CE1-CD2 3.6Å; F277-L401 HydrophobicContact CE1-CG 4.23Å; F277-L401 HydrophobicContact CZ-CD2 3.83Å; L286-L401 HydrophobicContact CD1-CD1 3.71Å; L286-L401 HydrophobicContact CD2-CD1 3.48Å; L286-L401 VanDerWaalsContact CD2-CD1 3.48Å; L286-L401 HydrophobicContact CD2-CD2 4.25Å; L286-L401 HydrophobicContact CG-CD1 4.25Å; I301-L401 HydrophobicContact CD1-CD1 4.26Å; P388-L401 HydrophobicContact CB-CD2 4.38Å; A389-L401 CarbonylContact O-C 3.58Å; A389-L401 WeakPolarHBondContact O-CA 3.35Å; V390-L401 HydrophobicContact CG2-CD2 3.89Å; L401-L403 HydrophobicContact CB-CD1 4.22Å; L401-L403 HydrophobicContact CD1-CD1 4.42Å; L401-V421 CarbonylContact O-C 3.5Å; L401-V421 WeakPolarHBondContact O-CA 3.36Å; L401-F422 HydrophobicContact CB-CB 4.17Å; L401-F422 PolarHBondContact N-O 3.07Å; L401-F422 VanDerWaalsContact N-O 3.09Å; L401-F422 PolarHBondContact O-N 2.72Å; L401-F435 HydrophobicContact CD1-CE1 4.24Å; L401-F435 HydrophobicContact CD1-CE2 4.13Å; L401-F435 HydrophobicContact CD1-CZ 3.91Å; L401-F435 HydrophobicContact CG-CE1 4.22Å; L401-F435 HydrophobicContact CG-CZ 4.19Å
402	G	96.3	Very high	92.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.1	166.2	0	0	0	0	0	110.6	P388 A389	P388-G402 CarbonylContact C-O 3.55Å; P388-G402 VanDerWaalsContact CA-O 3.32Å; P388-G402 WeakPolarHBondContact CA-O 3.29Å; A389-G402 PolarHBondContact N-O 2.89Å; A389-G402 PolarHBondContact O-N 3.49Å
403	L	96.7	Very high	92.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152	-176.7	-77.9	164.9	0	0	0	110.5	P288 I301 L370 I386 P388 L401 G420 F422	P288-L403 HydrophobicContact CG-CD2 4.45Å; I301-L403 HydrophobicContact CD1-CD1 4.06Å; L370-L403 HydrophobicContact CD2-CD1 3.93Å; I386-L403 WeakPolarHBondContact O-CA 3.18Å; I386-L403 VanDerWaalsContact O-CD2 3.24Å; I386-L403 WeakPolarHBondContact O-CD2 3.42Å; P388-L403 HydrophobicContact CB-CD2 3.77Å; P388-L403 HydrophobicContact CB-CG 4.22Å; L401-L403 HydrophobicContact CB-CD1 4.22Å; L401-L403 HydrophobicContact CD1-CD1 4.42Å; L403-G420 PolarHBondContact N-O 2.99Å; L403-G420 WeakPolarHBondContact O-CA 3.46Å; L403-G420 PolarHBondContact O-N 2.82Å; L403-F422 HydrophobicContact CB-CD2 3.87Å; L403-F422 HydrophobicContact CB-CE2 3.61Å; L403-F422 HydrophobicContact CD1-CD2 3.71Å; L403-F422 HydrophobicContact CD1-CE2 3.79Å; L403-F422 HydrophobicContact CD1-CG 4.41Å; L403-F422 HydrophobicContact CG-CD2 4.3Å; L403-F422 HydrophobicContact CG-CE2 4.33Å
404	G	95.7	Very high	92.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	137.1	168.5	0	0	0	0	0	111.7	T371 I386	T371-G404 PolarHBondContact N-O 3.5Å; T371-G404 VanDerWaalsContact N-O 3.11Å; T371-G404 PolarHBondContact OG1-O 3.19Å; I386-G404 PolarHBondContact O-N 3.37Å
405	V	95.8	Very high	92.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.2	178.1	-64.5	0	0	0	0	112.4	W368 S369 T371 V417 Y418 F422 L437 L439	W368-V405 HydrophobicContact CE3-CB 4.35Å; W368-V405 HydrophobicContact CE3-CG2 4.03Å; W368-V405 HydrophobicContact CZ3-CG2 4.05Å; S369-V405 CarbonylContact O-C 3.55Å; S369-V405 WeakPolarHBondContact O-CA 3.08Å; S369-V405 WeakPolarHBondContact O-CB 3.42Å; T371-V405 VanDerWaalsContact OG1-CA 3.25Å; T371-V405 WeakPolarHBondContact OG1-CA 3.34Å; T371-V405 PolarHBondContact OG1-N 2.88Å; T371-V405 PolarHBondContact OG1-O 2.98Å; V405-V417 CarbonylContact O-C 3.52Å; V405-V417 WeakPolarHBondContact O-CA 3.5Å; V405-Y418 WeakPolarHBondContact CG2-O 3.2Å; V405-Y418 PolarHBondContact N-O 3.09Å; V405-Y418 PolarHBondContact O-N 2.91Å; V405-F422 HydrophobicContact CG1-CE2 3.62Å; V405-F422 HydrophobicContact CG1-CZ 3.57Å; V405-L437 HydrophobicContact CB-CD2 4.47Å; V405-L437 HydrophobicContact CG1-CD1 3.92Å; V405-L437 HydrophobicContact CG1-CD2 4.16Å; V405-L437 HydrophobicContact CG2-CD1 4.34Å; V405-L437 HydrophobicContact CG2-CD2 4.33Å; V405-L439 HydrophobicContact CG2-CD2 3.68Å
406	T	94.4	Very high	92.6	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.7	177	-52.6	0	0	0	0	109.3	W368 S369 T371 W408 N414 G416 V417	W368-T406 WeakPolarHBondContact CA-O 3.21Å; S369-T406 PolarHBondContact N-O 2.87Å; S369-T406 VanDerWaalsContact N-O 3.1Å; S369-T406 PolarHBondContact O-N 2.88Å; T371-T406 WeakPolarHBondContact CG2-OG1 3.27Å; T371-T406 PolarHBondContact OG1-N 3.27Å; T371-T406 PolarHBondContact OG1-OG1 3.13Å; T406-W408 HydrophobicContact CG2-CD2 4.14Å; T406-W408 VanDerWaalsContact CG2-CE2 3.47Å; T406-W408 HydrophobicContact CG2-CG 4.46Å; T406-W408 HydrophobicContact CG2-CZ2 3.7Å; T406-N414 HydrophobicContact CG2-CB 4.44Å; T406-N414 WeakPolarHBondContact CG2-ND2 3.33Å; T406-N414 WeakPolarHBondContact CG2-OD1 3.14Å; T406-G416 WeakPolarHBondContact CA-O 3.33Å; T406-V417 HydrophobicContact CG2-CG2 4.4Å
407	S	93.1	Very high	92.9	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	138.8	168.4	70	0	0	0	0	110.6	R367 M415 G416	R367-S407 CarbonylContact O-C 3.59Å; S407-M415 PolarHBondContact O-N 3.49Å; S407-M415 WeakPolarHBondContact OG-CB 3.45Å; S407-G416 PolarHBondContact N-O 3.32Å; S407-G416 PolarHBondContact OG-N 3.29Å; S407-G416 PolarHBondContact OG-O 3.1Å
408	W	93.9	Very high	93.2	Very high	16 Å²	16	40.5 Å²	40.5	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.8	-177.9	-57.1	86	0	0	0	110.6	K294 L296 M366 R367 S369 T406 G412 Q413 N414	K294-W408 HydrophobicContact CB-CH2 4.13Å; K294-W408 HydrophobicContact CB-CZ2 4.42Å; K294-W408 HydrophobicContact CD-CH2 4.45Å; K294-W408 HydrophobicContact CG-CH2 4.45Å; K294-W408 VanDerWaalsContact O-CZ2 3.28Å; K294-W408 WeakPolarHBondContact O-CZ2 3.41Å; L296-W408 HydrophobicContact CB-CD2 4.35Å; L296-W408 HydrophobicContact CB-CZ2 4.23Å; L296-W408 HydrophobicContact CD1-CB 4.01Å; L296-W408 HydrophobicContact CD1-CD2 4.03Å; L296-W408 HydrophobicContact CD1-CG 3.66Å; L296-W408 HydrophobicContact CD2-CD2 4.07Å; L296-W408 HydrophobicContact CD2-CE3 4Å; L296-W408 HydrophobicContact CD2-CG 4.41Å; L296-W408 HydrophobicContact CD2-CZ3 4.47Å; L296-W408 HydrophobicContact CG-CD2 4.38Å; L296-W408 HydrophobicContact CG-CG 4.5Å; M366-W408 WeakPolarHBondContact CA-O 3.18Å; R367-W408 HydrophobicContact CB-CB 4.22Å; R367-W408 PolarHBondContact N-O 2.99Å; R367-W408 PolarHBondContact O-N 3.41Å; S369-W408 PolarHBondContact OG-NE1 3.38Å; T406-W408 HydrophobicContact CG2-CD2 4.14Å; T406-W408 VanDerWaalsContact CG2-CE2 3.47Å; T406-W408 HydrophobicContact CG2-CG 4.46Å; T406-W408 HydrophobicContact CG2-CZ2 3.7Å; W408-G412 VanDerWaalsContact CE3-O 3.29Å; W408-G412 WeakPolarHBondContact CZ3-O 3.03Å; W408-Q413 CarbonylContact C-O 3.57Å; W408-Q413 VanDerWaalsContact CA-O 3.26Å; W408-Q413 WeakPolarHBondContact CA-O 3.27Å; W408-N414 HydrophobicContact CE3-CB 4.08Å; W408-N414 HydrophobicContact CH2-CB 4.21Å; W408-N414 HydrophobicContact CZ3-CB 3.83Å
409	S	92.8	Very high	93.4	Very high	18 Å²	18	38.7 Å²	38.7	13%	0.126	20%	0.202	C	C	.	.			trans	-66.2	163.8	167.6	70.2	0	0	0	0	110.8	N411 G412 Q413	S409-N411 PolarHBondContact O-N 3.08Å; S409-N411 VanDerWaalsContact O-N 3.15Å; S409-G412 WeakPolarHBondContact O-CA 3.38Å; S409-G412 PolarHBondContact O-N 3.07Å; S409-Q413 PolarHBondContact N-O 3.35Å; S409-Q413 WeakPolarHBondContact OG-CB 3.42Å; S409-Q413 PolarHBondContact OG-N 2.66Å; S409-Q413 VanDerWaalsContact OG-N 3.08Å
410	E	90.2	Very high	93.4	Very high	137 Å²	137	38.3 Å²	38.3	64%	0.64	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-34.2	173.2	-66.4	-173.3	167.1	0	0	112.1	G412	E410-G412 PolarHBondContact O-N 2.86Å
411	N	91.6	Very high	93.4	Very high	149 Å²	149	38.8 Å²	38.8	80%	0.797	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	0.9	176.6	-65.4	-21.3	0	0	0	114	S409	S409-N411 PolarHBondContact O-N 3.08Å; S409-N411 VanDerWaalsContact O-N 3.15Å
412	G	91.1	Very high	93.5	Very high	22 Å²	22	38.8 Å²	38.8	23%	0.227	20%	0.203	C	C	.	.			trans	76	23.5	178.9	0	0	0	0	0	114.6	W408 S409 E410	W408-G412 VanDerWaalsContact CE3-O 3.29Å; W408-G412 WeakPolarHBondContact CZ3-O 3.03Å; S409-G412 WeakPolarHBondContact O-CA 3.38Å; S409-G412 PolarHBondContact O-N 3.07Å; E410-G412 PolarHBondContact O-N 2.86Å
413	Q	92.4	Very high	93.5	Very high	130 Å²	130	39.5 Å²	39.5	61%	0.607	21%	0.207	S	C	*	.			trans	-82.4	137.9	169.1	-63.6	-178.4	-32.3	0	0	109.8	W408 S409 M415	W408-Q413 CarbonylContact C-O 3.57Å; W408-Q413 VanDerWaalsContact CA-O 3.26Å; W408-Q413 WeakPolarHBondContact CA-O 3.27Å; S409-Q413 PolarHBondContact N-O 3.35Å; S409-Q413 WeakPolarHBondContact OG-CB 3.42Å; S409-Q413 PolarHBondContact OG-N 2.66Å; S409-Q413 VanDerWaalsContact OG-N 3.08Å; Q413-M415 WeakPolarHBondContact O-CG 3.45Å; Q413-M415 PolarHBondContact O-N 3.46Å
414	N	91.6	Very high	93.5	Very high	87 Å²	87	39.4 Å²	39.4	47%	0.465	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	122	174.8	-177	-20	0	0	0	109.1	T406 W408 G416	T406-N414 HydrophobicContact CG2-CB 4.44Å; T406-N414 WeakPolarHBondContact CG2-ND2 3.33Å; T406-N414 WeakPolarHBondContact CG2-OD1 3.14Å; W408-N414 HydrophobicContact CE3-CB 4.08Å; W408-N414 HydrophobicContact CH2-CB 4.21Å; W408-N414 HydrophobicContact CZ3-CB 3.83Å; N414-G416 PolarHBondContact OD1-N 2.73Å
415	M	90.6	Very high	93.4	Very high	100 Å²	100	44.8 Å²	44.8	49%	0.493	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-9.5	-174.7	-64.7	-69.4	-59.5	0	0	112.5	M366 S407 Q413	M366-M415 HydrophobicContact CE-CB 3.28Å; M366-M415 HydrophobicContact CE-CE 4.24Å; M366-M415 HydrophobicContact CE-CG 3.31Å; S407-M415 PolarHBondContact O-N 3.49Å; S407-M415 WeakPolarHBondContact OG-CB 3.45Å; Q413-M415 WeakPolarHBondContact O-CG 3.45Å; Q413-M415 PolarHBondContact O-N 3.46Å
416	G	89.7	Confident	93.2	Very high	19 Å²	19	45.1 Å²	45.1	20%	0.196	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.4	155.2	177.5	0	0	0	0	0	112.6	T406 S407 N414	T406-G416 WeakPolarHBondContact CA-O 3.33Å; S407-G416 PolarHBondContact N-O 3.32Å; S407-G416 PolarHBondContact OG-N 3.29Å; S407-G416 PolarHBondContact OG-O 3.1Å; N414-G416 PolarHBondContact OD1-N 2.73Å
417	V	92.2	Very high	93	Very high	24 Å²	24	49.1 Å²	49.1	15%	0.145	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.4	172.7	176.8	0	0	0	0	108.7	T371 I386 V405 T406 L452	T371-V417 HydrophobicContact CG2-CG1 3.82Å; T371-V417 HydrophobicContact CG2-CG2 3.91Å; I386-V417 HydrophobicContact CD1-CG1 4.23Å; V405-V417 CarbonylContact O-C 3.52Å; V405-V417 WeakPolarHBondContact O-CA 3.5Å; T406-V417 HydrophobicContact CG2-CG2 4.4Å; V417-L452 HydrophobicContact CG1-CB 3.77Å; V417-L452 HydrophobicContact CG1-CD2 4.32Å
418	Y	92.6	Very high	92.8	Very high	91 Å²	91	51.3 Å²	51.3	36%	0.357	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147	-174.6	-58.1	-88.3	0	0	0	110.7	W368 V405	W368-Y418 HydrophobicContact CH2-CD2 4.07Å; W368-Y418 HydrophobicContact CH2-CE2 4.3Å; W368-Y418 AromaticContact CZ3-CD2 3.85Å; W368-Y418 HydrophobicContact CZ3-CD2 3.85Å; W368-Y418 HydrophobicContact CZ3-CE2 4.44Å; V405-Y418 WeakPolarHBondContact CG2-O 3.2Å; V405-Y418 PolarHBondContact N-O 3.09Å; V405-Y418 PolarHBondContact O-N 2.91Å
419	P	94.2	Very high	92.5	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.013	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	130.2	164.3	30.2	-33.6	0	0	0	109.5	V440 V443 L452 L455 I470	P419-V440 HydrophobicContact CB-CB 4.34Å; P419-V440 HydrophobicContact CB-CG2 3.98Å; P419-V440 HydrophobicContact CG-CB 4.1Å; P419-V440 HydrophobicContact CG-CG2 4.29Å; P419-V440 PolarHBondContact O-N 3.05Å; P419-V443 HydrophobicContact CG-CB 4Å; P419-V443 HydrophobicContact CG-CG1 3.68Å; P419-L452 HydrophobicContact CB-CD2 4.33Å; P419-L455 HydrophobicContact CB-CD1 3.72Å; P419-I470 HydrophobicContact CB-CD1 3.85Å; P419-I470 HydrophobicContact CG-CD1 3.83Å
420	G	94.3	Very high	92.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.3	178.4	0	0	0	0	0	111.7	L403	L403-G420 PolarHBondContact N-O 2.99Å; L403-G420 WeakPolarHBondContact O-CA 3.46Å; L403-G420 PolarHBondContact O-N 2.82Å
421	V	96.1	Very high	91.8	Very high	10 Å²	10	56.3 Å²	56.3	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.4	164.6	-178.1	0	0	0	0	108.4	V393 D400 L401 V423 L437 T438 V440 F468	V393-V421 HydrophobicContact CG1-CG1 4.5Å; V393-V421 HydrophobicContact CG2-CG1 3.64Å; V393-V421 HydrophobicContact CG2-CG2 4.47Å; D400-V421 HydrophobicContact CB-CG1 3.98Å; L401-V421 CarbonylContact O-C 3.5Å; L401-V421 WeakPolarHBondContact O-CA 3.36Å; V421-V423 HydrophobicContact CB-CG2 4.46Å; V421-V423 HydrophobicContact CG1-CG2 3.82Å; V421-V423 PolarHBondContact O-N 2.69Å; V421-L437 CarbonylContact O-C 3.41Å; V421-T438 PolarHBondContact N-O 2.8Å; V421-T438 PolarHBondContact O-N 3.12Å; V421-V440 HydrophobicContact CG2-CG2 4Å; V421-F468 HydrophobicContact CG2-CE1 4.01Å; V421-F468 HydrophobicContact CG2-CZ 3.46Å; V421-F468 VanDerWaalsContact CG2-CZ 3.46Å
422	F	97.4	Very high	91.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	98.9	167.5	-68.7	-100.9	0	0	0	106.8	I301 V354 W356 L370 L401 L403 V405 F435 L437	I301-F422 HydrophobicContact CD1-CD1 3.97Å; I301-F422 HydrophobicContact CD1-CE1 4.21Å; I301-F422 HydrophobicContact CD1-CG 4.3Å; V354-F422 HydrophobicContact CG1-CD1 3.82Å; V354-F422 HydrophobicContact CG1-CE1 3.59Å; W356-F422 HydrophobicContact CE3-CE1 4.22Å; W356-F422 HydrophobicContact CE3-CZ 4.43Å; W356-F422 HydrophobicContact CH2-CE1 4.2Å; W356-F422 HydrophobicContact CH2-CZ 4.38Å; W356-F422 AromaticContact CZ3-CE1 3.8Å; W356-F422 HydrophobicContact CZ3-CE1 3.8Å; W356-F422 AromaticContact CZ3-CZ 3.79Å; W356-F422 HydrophobicContact CZ3-CZ 3.79Å; L370-F422 HydrophobicContact CD2-CE2 4.25Å; L370-F422 HydrophobicContact CD2-CZ 3.91Å; L401-F422 HydrophobicContact CB-CB 4.17Å; L401-F422 PolarHBondContact N-O 3.07Å; L401-F422 VanDerWaalsContact N-O 3.09Å; L401-F422 PolarHBondContact O-N 2.72Å; L403-F422 HydrophobicContact CB-CD2 3.87Å; L403-F422 HydrophobicContact CB-CE2 3.61Å; L403-F422 HydrophobicContact CD1-CD2 3.71Å; L403-F422 HydrophobicContact CD1-CE2 3.79Å; L403-F422 HydrophobicContact CD1-CG 4.41Å; L403-F422 HydrophobicContact CG-CD2 4.3Å; L403-F422 HydrophobicContact CG-CE2 4.33Å; V405-F422 HydrophobicContact CG1-CE2 3.62Å; V405-F422 HydrophobicContact CG1-CZ 3.57Å; F422-F435 HydrophobicContact CB-CB 4Å; F422-F435 HydrophobicContact CB-CD1 3.94Å; F422-F435 HydrophobicContact CB-CG 4.1Å; F422-F435 HydrophobicContact CD1-CB 4.33Å; F422-F435 WeakPolarHBondContact O-CD1 3.47Å; F422-L437 HydrophobicContact CD1-CB 4.49Å; F422-L437 HydrophobicContact CD2-CD1 4.22Å; F422-L437 HydrophobicContact CE1-CB 4.29Å; F422-L437 HydrophobicContact CE1-CD1 4.26Å; F422-L437 HydrophobicContact CE2-CD1 3.85Å; F422-L437 HydrophobicContact CZ-CD1 3.89Å
423	V	96.7	Very high	91.9	Very high	14 Å²	14	52 Å²	52	9%	0.085	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125	-177.2	177.7	0	0	0	0	109.7	N394 D400 V421 K425 F435 Q436	N394-V423 WeakPolarHBondContact ND2-CG1 3.37Å; D400-V423 VanDerWaalsContact OD1-CA 3.22Å; D400-V423 WeakPolarHBondContact OD1-CA 3.24Å; V421-V423 HydrophobicContact CB-CG2 4.46Å; V421-V423 HydrophobicContact CG1-CG2 3.82Å; V421-V423 PolarHBondContact O-N 2.69Å; V423-K425 PolarHBondContact O-N 2.8Å; V423-F435 CarbonylContact O-C 3.45Å; V423-F435 WeakPolarHBondContact O-CA 3.13Å; V423-Q436 PolarHBondContact N-O 3.08Å; V423-Q436 PolarHBondContact O-N 3.37Å
424	N	96.2	Very high	92.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	114.8	-178.2	-166.5	-21.7	0	0	0	110.7	F277 K398 P399 D400 G426 L433 F435	F277-N424 PolarHBondContact O-ND2 2.78Å; K398-N424 HydrophobicContact CB-CB 3.84Å; P399-N424 VanDerWaalsContact O-CB 3.32Å; P399-N424 WeakPolarHBondContact O-CB 3.44Å; P399-N424 PolarHBondContact O-ND2 3.45Å; P399-N424 VanDerWaalsContact O-ND2 3.12Å; D400-N424 PolarHBondContact OD1-N 3.45Å; N424-G426 VanDerWaalsContact C-N 3.34Å; N424-G426 WeakPolarHBondContact OD1-CA 3.38Å; N424-G426 PolarHBondContact OD1-N 3.14Å; N424-L433 VanDerWaalsContact OD1-CD1 3.3Å; N424-L433 WeakPolarHBondContact OD1-CD1 3.24Å; N424-F435 HydrophobicContact CB-CD1 4.01Å; N424-F435 HydrophobicContact CB-CE1 3.57Å; N424-F435 HydrophobicContact CB-CZ 4.37Å
425	K	94.2	Very high	92.4	Very high	113 Å²	113	42.2 Å²	42.2	49%	0.491	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	3.7	176	-59.9	-57	-176.9	-172.2	0	112.7	V423 T434 Q436	V423-K425 PolarHBondContact O-N 2.8Å; K425-T434 WeakPolarHBondContact CA-O 3.39Å; K425-T434 HydrophobicContact CB-CG2 4.42Å; K425-T434 WeakPolarHBondContact CB-O 3.41Å; K425-T434 PolarHBondContact N-O 3.22Å; K425-Q436 HydrophobicContact CD-CB 4.44Å; K425-Q436 HydrophobicContact CG-CB 4.01Å
426	G	91.9	Very high	92.7	Very high	7 Å²	7	38.7 Å²	38.7	7%	0.072	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.2	-160.5	-174	0	0	0	0	0	112.6	N424 T434	N424-G426 VanDerWaalsContact C-N 3.34Å; N424-G426 WeakPolarHBondContact OD1-CA 3.38Å; N424-G426 PolarHBondContact OD1-N 3.14Å; G426-T434 PolarHBondContact O-N 2.93Å
427	L	90.8	Very high	93	Very high	90 Å²	90	37.8 Å²	37.8	47%	0.471	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	126.6	179.1	-60.2	179.8	0	0	0	111.2	D278 L433	D278-L427 HydrophobicContact CB-CD2 3.99Å; D278-L427 HydrophobicContact CB-CG 4.39Å; L427-L433 HydrophobicContact CD2-CB 4.12Å
428	N	88.8	Confident	93.1	Very high	49 Å²	49	38.1 Å²	38.1	26%	0.262	21%	0.214	S	C	.	.			trans	-73.2	-178.9	171.6	68.7	28.1	0	0	0	112	N430 G431 I432 T434	N428-N430 PolarHBondContact O-N 3.32Å; N428-N430 WeakPolarHBondContact OD1-CA 2.93Å; N428-N430 WeakPolarHBondContact OD1-CB 3.12Å; N428-N430 PolarHBondContact OD1-N 3.45Å; N428-G431 PolarHBondContact O-N 3.29Å; N428-G431 PolarHBondContact OD1-N 3.15Å; N428-I432 PolarHBondContact N-O 3.21Å; N428-I432 PolarHBondContact ND2-O 3.34Å; N428-I432 PolarHBondContact OD1-N 3.21Å; N428-I432 VanDerWaalsContact OD1-N 3.12Å; N428-I432 PolarHBondContact OD1-O 3.3Å; N428-T434 PolarHBondContact ND2-OG1 3.3Å
429	S	87	Confident	93.1	Very high	121 Å²	121	34.9 Å²	34.9	85%	0.846	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.2	-179.2	54.2	0	0	0	0	115
430	N	85.4	Confident	92.9	Very high	110 Å²	110	35.2 Å²	35.2	59%	0.588	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-1.4	175.8	-63.4	-35.6	0	0	0	113.1	N428 I432	N428-N430 PolarHBondContact O-N 3.32Å; N428-N430 WeakPolarHBondContact OD1-CA 2.93Å; N428-N430 WeakPolarHBondContact OD1-CB 3.12Å; N428-N430 PolarHBondContact OD1-N 3.45Å; N430-I432 HydrophobicContact CB-CD1 4.22Å; N430-I432 HydrophobicContact CB-CG1 4.3Å
431	G	83.6	Confident	92.2	Very high	45 Å²	45	36.5 Å²	36.5	46%	0.464	21%	0.213	S	C	.	.	S	Bend	trans	76	25.8	-174.5	0	0	0	0	0	113.3	N428	N428-G431 PolarHBondContact O-N 3.29Å; N428-G431 PolarHBondContact OD1-N 3.15Å
432	I	89.7	Confident	91.3	Very high	73 Å²	73	37.1 Å²	37.1	37%	0.374	22%	0.222	S	C	.	.			trans	-104	125.6	177.3	-58.4	170.7	0	0	0	108.3	N353 N428 N430 T434	N353-I432 HydrophobicContact CB-CG2 3.94Å; N428-I432 PolarHBondContact N-O 3.21Å; N428-I432 PolarHBondContact ND2-O 3.34Å; N428-I432 PolarHBondContact OD1-N 3.21Å; N428-I432 VanDerWaalsContact OD1-N 3.12Å; N428-I432 PolarHBondContact OD1-O 3.3Å; N430-I432 HydrophobicContact CB-CD1 4.22Å; N430-I432 HydrophobicContact CB-CG1 4.3Å; I432-T434 PolarHBondContact O-N 2.78Å; I432-T434 PolarHBondContact O-OG1 2.88Å
433	L	93.8	Very high	90.4	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	133.4	172.9	-179	63.8	0	0	0	109.9	F277 I303 V352 N353 N424 L427 F435	F277-L433 HydrophobicContact CB-CD2 3.83Å; F277-L433 VanDerWaalsContact O-CD1 3.31Å; F277-L433 WeakPolarHBondContact O-CD1 3.44Å; I303-L433 HydrophobicContact CD1-CD2 3.68Å; V352-L433 HydrophobicContact CG1-CB 4.06Å; V352-L433 HydrophobicContact CG1-CD2 4.05Å; V352-L433 HydrophobicContact CG1-CG 3.87Å; V352-L433 VanDerWaalsContact CG1-O 3.28Å; V352-L433 WeakPolarHBondContact CG1-O 3.07Å; V352-L433 HydrophobicContact CG2-CD2 4.17Å; N353-L433 PolarHBondContact N-O 3.12Å; N424-L433 VanDerWaalsContact OD1-CD1 3.3Å; N424-L433 WeakPolarHBondContact OD1-CD1 3.24Å; L427-L433 HydrophobicContact CD2-CB 4.12Å; L433-F435 HydrophobicContact CD2-CE2 3.77Å; L433-F435 HydrophobicContact CD2-CZ 4.24Å; L433-F435 HydrophobicContact CG-CE2 4.16Å
434	T	96.9	Very high	89.2	Confident	10 Å²	10	44.6 Å²	44.6	6%	0.061	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.4	-177.9	-61.4	0	0	0	0	111.4	N353 I355 K425 G426 N428 I432	N353-T434 HydrophobicContact CB-CG2 4.43Å; N353-T434 VanDerWaalsContact ND2-CG2 3.33Å; N353-T434 WeakPolarHBondContact ND2-CG2 3.15Å; N353-T434 PolarHBondContact ND2-OG1 2.99Å; N353-T434 CarbonylContact O-C 3.47Å; N353-T434 WeakPolarHBondContact O-CA 3.49Å; I355-T434 HydrophobicContact CD1-CG2 4.06Å; I355-T434 HydrophobicContact CG1-CG2 4.23Å; K425-T434 WeakPolarHBondContact CA-O 3.39Å; K425-T434 HydrophobicContact CB-CG2 4.42Å; K425-T434 WeakPolarHBondContact CB-O 3.41Å; K425-T434 PolarHBondContact N-O 3.22Å; G426-T434 PolarHBondContact O-N 2.93Å; N428-T434 PolarHBondContact ND2-OG1 3.3Å; I432-T434 PolarHBondContact O-N 2.78Å; I432-T434 PolarHBondContact O-OG1 2.88Å
435	F	98	Very high	87.9	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	146.1	168.8	-74.4	-77.1	0	0	0	111.4	F277 L286 V352 N353 I355 L401 F422 V423 N424 L433	F277-F435 HydrophobicContact CD1-CZ 4.04Å; L286-F435 HydrophobicContact CD1-CE2 3.71Å; L286-F435 HydrophobicContact CD1-CZ 3.98Å; V352-F435 HydrophobicContact CG1-CD2 3.43Å; V352-F435 VanDerWaalsContact CG1-CD2 3.43Å; V352-F435 HydrophobicContact CG1-CE2 3.78Å; N353-F435 PolarHBondContact O-N 2.69Å; I355-F435 PolarHBondContact N-O 2.88Å; L401-F435 HydrophobicContact CD1-CE1 4.24Å; L401-F435 HydrophobicContact CD1-CE2 4.13Å; L401-F435 HydrophobicContact CD1-CZ 3.91Å; L401-F435 HydrophobicContact CG-CE1 4.22Å; L401-F435 HydrophobicContact CG-CZ 4.19Å; F422-F435 HydrophobicContact CB-CB 4Å; F422-F435 HydrophobicContact CB-CD1 3.94Å; F422-F435 HydrophobicContact CB-CG 4.1Å; F422-F435 HydrophobicContact CD1-CB 4.33Å; F422-F435 WeakPolarHBondContact O-CD1 3.47Å; V423-F435 CarbonylContact O-C 3.45Å; V423-F435 WeakPolarHBondContact O-CA 3.13Å; N424-F435 HydrophobicContact CB-CD1 4.01Å; N424-F435 HydrophobicContact CB-CE1 3.57Å; N424-F435 HydrophobicContact CB-CZ 4.37Å; L433-F435 HydrophobicContact CD2-CE2 3.77Å; L433-F435 HydrophobicContact CD2-CZ 4.24Å; L433-F435 HydrophobicContact CG-CE2 4.16Å
436	Q	97.1	Very high	86.6	Confident	27 Å²	27	42.9 Å²	42.9	13%	0.126	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.7	173.3	173.9	62	64.2	0	0	109.6	I355 E357 V423 K425 T438	I355-Q436 VanDerWaalsContact CB-OE1 3.27Å; I355-Q436 VanDerWaalsContact CD1-OE1 3.24Å; E357-Q436 PolarHBondContact O-NE2 3.28Å; V423-Q436 PolarHBondContact N-O 3.08Å; V423-Q436 PolarHBondContact O-N 3.37Å; K425-Q436 HydrophobicContact CD-CB 4.44Å; K425-Q436 HydrophobicContact CG-CB 4.01Å; Q436-T438 PolarHBondContact O-N 3.35Å
437	L	96.3	Very high	85.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	135.8	172.9	178.9	58.7	0	0	0	110	I355 W356 P358 S359 W368 V405 V421 F422	I355-L437 WeakPolarHBondContact O-CB 3.4Å; I355-L437 PolarHBondContact O-N 2.88Å; W356-L437 WeakPolarHBondContact O-CD2 3.49Å; P358-L437 CarbonylContact C-O 3.43Å; P358-L437 VanDerWaalsContact CA-O 3.31Å; P358-L437 WeakPolarHBondContact CA-O 3.39Å; P358-L437 HydrophobicContact CB-CG 4.32Å; P358-L437 HydrophobicContact CG-CD2 3.92Å; P358-L437 HydrophobicContact CG-CG 4.24Å; S359-L437 PolarHBondContact N-O 3Å; W368-L437 HydrophobicContact CB-CD2 4.29Å; W368-L437 HydrophobicContact CD2-CD2 4.45Å; W368-L437 HydrophobicContact CE3-CD2 4.32Å; W368-L437 HydrophobicContact CG-CD2 4.45Å; V405-L437 HydrophobicContact CB-CD2 4.47Å; V405-L437 HydrophobicContact CG1-CD1 3.92Å; V405-L437 HydrophobicContact CG1-CD2 4.16Å; V405-L437 HydrophobicContact CG2-CD1 4.34Å; V405-L437 HydrophobicContact CG2-CD2 4.33Å; V421-L437 CarbonylContact O-C 3.41Å; F422-L437 HydrophobicContact CD1-CB 4.49Å; F422-L437 HydrophobicContact CD2-CD1 4.22Å; F422-L437 HydrophobicContact CE1-CB 4.29Å; F422-L437 HydrophobicContact CE1-CD1 4.26Å; F422-L437 HydrophobicContact CE2-CD1 3.85Å; F422-L437 HydrophobicContact CZ-CD1 3.89Å
438	T	93.7	Very high	84.5	Confident	31 Å²	31	48 Å²	48	19%	0.19	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	123.6	170.7	-55.6	0	0	0	0	106.8	S359 N360 V421 Q436	S359-T438 PolarHBondContact OG-OG1 3.13Å; N360-T438 HydrophobicContact CB-CG2 4.42Å; V421-T438 PolarHBondContact N-O 2.8Å; V421-T438 PolarHBondContact O-N 3.12Å; Q436-T438 PolarHBondContact O-N 3.35Å
439	L	92.3	Very high	83.7	Confident	23 Å²	23	46.8 Å²	46.8	12%	0.12	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	143.5	175.8	-58.6	-178	0	0	0	109.1	P358 N360 V361 W368 V405 P441	P358-L439 HydrophobicContact CB-CD1 4.38Å; P358-L439 HydrophobicContact CB-CD2 4.38Å; P358-L439 HydrophobicContact CB-CG 3.83Å; P358-L439 HydrophobicContact CG-CD1 4.29Å; P358-L439 HydrophobicContact CG-CD2 4.16Å; P358-L439 HydrophobicContact CG-CG 3.99Å; N360-L439 PolarHBondContact ND2-O 3.44Å; N360-L439 PolarHBondContact OD1-N 2.75Å; N360-L439 VanDerWaalsContact OD1-N 3.07Å; V361-L439 HydrophobicContact CG2-CD1 3.68Å; V361-L439 HydrophobicContact CG2-CG 4.38Å; W368-L439 HydrophobicContact CE3-CD2 4.33Å; W368-L439 HydrophobicContact CH2-CD1 3.55Å; W368-L439 HydrophobicContact CH2-CD2 4.02Å; W368-L439 HydrophobicContact CH2-CG 4.34Å; W368-L439 HydrophobicContact CZ2-CD1 4.23Å; W368-L439 HydrophobicContact CZ3-CD1 4.1Å; W368-L439 HydrophobicContact CZ3-CD2 3.68Å; W368-L439 HydrophobicContact CZ3-CG 4.48Å; V405-L439 HydrophobicContact CG2-CD2 3.68Å; L439-P441 WeakPolarHBondContact O-CD 3.12Å; L439-P441 VanDerWaalsContact O-N 3.14Å
440	V	89.8	Confident	83.1	Confident	9 Å²	9	44 Å²	44	6%	0.055	26%	0.263	C	S	.	.			trans	-70.7	107.6	176.8	-171.9	0	0	0	0	108.8	Y30 P419 V421 V443 F468	Y30-V440 HydrophobicContact CD2-CG1 3.39Å; Y30-V440 HydrophobicContact CE2-CG1 3.83Å; Y30-V440 HydrophobicContact CG-CG1 3.86Å; P419-V440 HydrophobicContact CB-CB 4.34Å; P419-V440 HydrophobicContact CB-CG2 3.98Å; P419-V440 HydrophobicContact CG-CB 4.1Å; P419-V440 HydrophobicContact CG-CG2 4.29Å; P419-V440 PolarHBondContact O-N 3.05Å; V421-V440 HydrophobicContact CG2-CG2 4Å; V440-V443 HydrophobicContact CB-CB 4.49Å; V440-V443 HydrophobicContact CB-CG2 4.08Å; V440-V443 HydrophobicContact CG1-CB 4.4Å; V440-V443 HydrophobicContact CG1-CG2 3.5Å; V440-V443 VanDerWaalsContact CG1-CG2 3.5Å; V440-F468 HydrophobicContact CG1-CD2 4.03Å; V440-F468 HydrophobicContact CG1-CE1 4.48Å; V440-F468 HydrophobicContact CG1-CE2 3.96Å; V440-F468 HydrophobicContact CG1-CG 4.33Å; V440-F468 HydrophobicContact CG1-CZ 4.18Å; V440-F468 HydrophobicContact CG2-CD1 4.16Å; V440-F468 HydrophobicContact CG2-CE1 3.57Å; V440-F468 HydrophobicContact CG2-CE2 4.24Å; V440-F468 HydrophobicContact CG2-CZ 3.62Å
441	P	80.3	Confident	83.3	Confident	26 Å²	26	43 Å²	43	17%	0.169	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	145.1	-172.4	32.6	-30.9	0	0	0	111	F29 Y30 L439 V443	F29-P441 HydrophobicContact CB-CG 3.86Å; F29-P441 HydrophobicContact CD2-CB 4.2Å; F29-P441 HydrophobicContact CD2-CG 3.4Å; F29-P441 VanDerWaalsContact CD2-CG 3.4Å; F29-P441 HydrophobicContact CE2-CG 4.38Å; F29-P441 HydrophobicContact CG-CG 4.06Å; Y30-P441 WeakPolarHBondContact CB-O 3.3Å; Y30-P441 PolarHBondContact N-O 2.84Å; L439-P441 WeakPolarHBondContact O-CD 3.12Å; L439-P441 VanDerWaalsContact O-N 3.14Å; P441-V443 PolarHBondContact O-N 3.08Å
442	G	76.9	Confident	83.8	Confident	24 Å²	24	40.9 Å²	40.9	25%	0.247	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-15.6	-173.4	0	0	0	0	0	114.2	D28 Y30 Q444	D28-G442 WeakPolarHBondContact OD1-CA 3.47Å; Y30-G442 CarbonylContact O-C 3.57Å; Y30-G442 WeakPolarHBondContact O-CA 3.31Å; G442-Q444 PolarHBondContact O-N 3.18Å; G442-Q444 VanDerWaalsContact O-N 3.12Å
443	V	78.3	Confident	84	Confident	11 Å²	11	37.7 Å²	37.7	7%	0.067	21%	0.212	C	C	.	.			trans	-82.9	91.3	172.9	-175.9	0	0	0	0	110.2	P419 V440 P441 I470 F484	P419-V443 HydrophobicContact CG-CB 4Å; P419-V443 HydrophobicContact CG-CG1 3.68Å; V440-V443 HydrophobicContact CB-CB 4.49Å; V440-V443 HydrophobicContact CB-CG2 4.08Å; V440-V443 HydrophobicContact CG1-CB 4.4Å; V440-V443 HydrophobicContact CG1-CG2 3.5Å; V440-V443 VanDerWaalsContact CG1-CG2 3.5Å; P441-V443 PolarHBondContact O-N 3.08Å; V443-I470 HydrophobicContact CG1-CD1 3.61Å; V443-I470 HydrophobicContact CG2-CD1 4.41Å; V443-F484 HydrophobicContact CB-CD1 4.37Å; V443-F484 HydrophobicContact CB-CE1 4.23Å; V443-F484 HydrophobicContact CG1-CD1 4.32Å; V443-F484 HydrophobicContact CG1-CD2 4.43Å; V443-F484 HydrophobicContact CG1-CE1 3.88Å; V443-F484 HydrophobicContact CG1-CE2 4Å; V443-F484 HydrophobicContact CG1-CZ 3.72Å; V443-F484 HydrophobicContact CG2-CB 4.27Å; V443-F484 HydrophobicContact CG2-CD1 3.72Å; V443-F484 HydrophobicContact CG2-CD2 4.37Å; V443-F484 HydrophobicContact CG2-CE1 4.08Å; V443-F484 HydrophobicContact CG2-CG 3.88Å
444	Q	71.9	Confident	84.1	Confident	159 Å²	159	37.6 Å²	37.6	74%	0.743	21%	0.211	S	C	*	.			trans	-96.4	111.3	168.9	-65.7	-177.8	12.5	0	0	109.3	G442 P446	G442-Q444 PolarHBondContact O-N 3.18Å; G442-Q444 VanDerWaalsContact O-N 3.12Å; Q444-P446 WeakPolarHBondContact O-CD 3.18Å
445	L	69.9	Low	84	Confident	31 Å²	31	37.6 Å²	37.6	16%	0.162	21%	0.211	C	C	.	.			trans	-65.7	129.1	171.9	-63.9	178.7	0	0	0	109.1	L452 I470	L445-L452 HydrophobicContact CD1-CB 4.34Å; L445-I470 HydrophobicContact CD2-CG2 4.09Å
446	P	66.5	Low	83.9	Confident	46 Å²	46	37.7 Å²	37.7	30%	0.299	21%	0.212	S	C	.	.			trans	-54.7	146.4	173.6	-24.2	32.1	0	0	0	110.9	Q444 D448 N449 S450	Q444-P446 WeakPolarHBondContact O-CD 3.18Å; P446-D448 PolarHBondContact O-N 2.81Å; P446-D448 VanDerWaalsContact O-N 3.16Å; P446-N449 HydrophobicContact CB-CB 4.14Å; P446-N449 HydrophobicContact CG-CB 4.27Å; P446-N449 CarbonylContact O-C 3.33Å; P446-N449 VanDerWaalsContact O-C 3.28Å; P446-N449 WeakPolarHBondContact O-CA 3.45Å; P446-N449 PolarHBondContact O-N 2.78Å; P446-S450 PolarHBondContact O-N 2.7Å
447	P	69.5	Low	83.7	Confident	125 Å²	125	36.8 Å²	36.8	81%	0.812	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-54.3	-38.9	-177	-27.8	34.1	0	0	0	114.1	N449 S450	P447-N449 VanDerWaalsContact C-N 3.32Å; P447-S450 PolarHBondContact O-OG 3.05Å
448	D	68.4	Low	83.5	Confident	81 Å²	81	36.9 Å²	36.9	43%	0.433	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-68.8	-31.7	176.4	-165.1	12	0	0	0	111.6	P446 N474 S475	P446-D448 PolarHBondContact O-N 2.81Å; P446-D448 VanDerWaalsContact O-N 3.16Å; D448-N474 CarbonylContact O-C 3.57Å; D448-N474 WeakPolarHBondContact O-CA 3.5Å; D448-S475 PolarHBondContact O-N 2.82Å; D448-S475 WeakPolarHBondContact OD1-CB 3.5Å; D448-S475 PolarHBondContact OD1-N 2.71Å; D448-S475 PolarHBondContact OD1-OG 2.72Å
449	N	73.3	Confident	83.2	Confident	22 Å²	22	35.7 Å²	35.7	12%	0.118	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-103.9	35.1	-174.5	-68.3	5.1	0	0	0	113.3	P446 P447 R451 S472 L473 N474	P446-N449 HydrophobicContact CB-CB 4.14Å; P446-N449 HydrophobicContact CG-CB 4.27Å; P446-N449 CarbonylContact O-C 3.33Å; P446-N449 VanDerWaalsContact O-C 3.28Å; P446-N449 WeakPolarHBondContact O-CA 3.45Å; P446-N449 PolarHBondContact O-N 2.78Å; P447-N449 VanDerWaalsContact C-N 3.32Å; N449-R451 VanDerWaalsContact C-N 3.25Å; N449-R451 PolarHBondContact O-N 2.94Å; N449-S472 WeakPolarHBondContact CB-OG 3.31Å; N449-S472 WeakPolarHBondContact O-CB 3.27Å; N449-L473 CarbonylContact C-O 3.51Å; N449-L473 WeakPolarHBondContact CA-O 3.16Å; N449-N474 WeakPolarHBondContact OD1-CB 3.12Å
450	S	72.7	Confident	82.9	Confident	64 Å²	64	36 Å²	36	45%	0.448	20%	0.201	S	C	.	.			trans	-77.7	-4	-172.2	52	0	0	0	0	114.9	P446 P447 L452	P446-S450 PolarHBondContact O-N 2.7Å; P447-S450 PolarHBondContact O-OG 3.05Å; S450-L452 PolarHBondContact O-N 2.76Å
451	R	90.5	Very high	82.4	Confident	87 Å²	87	37 Å²	37	33%	0.328	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	89.2	-178.5	-76.5	172.1	48.7	-167.8	-8.6	111.6	N449 S472 L473 D477	N449-R451 VanDerWaalsContact C-N 3.25Å; N449-R451 PolarHBondContact O-N 2.94Å; R451-S472 CarbonylContact O-C 3.56Å; R451-S472 VanDerWaalsContact O-CA 3.31Å; R451-S472 WeakPolarHBondContact O-CA 3.37Å; R451-L473 HydrophobicContact CB-CB 4.07Å; R451-L473 PolarHBondContact O-N 2.75Å; R451-D477 IonicContact CZ-OD1 2.88Å; R451-D477 IonicContact NH1-OD1 2.66Å; R451-D477 PolarHBondContact NH1-OD1 3.06Å; R451-D477 IonicContact NH2-OD1 2.74Å; R451-D477 PolarHBondContact NH2-OD1 2.87Å
452	L	93.6	Very high	82.4	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	140.3	174	-175.2	63.8	0	0	0	111.3	P374 I386 V417 P419 L445 S450 I470	P374-L452 WeakPolarHBondContact CD-O 3.45Å; P374-L452 VanDerWaalsContact CG-O 3.24Å; P374-L452 WeakPolarHBondContact CG-O 3.28Å; I386-L452 HydrophobicContact CD1-CB 3.82Å; I386-L452 HydrophobicContact CD1-CD2 4.08Å; I386-L452 HydrophobicContact CD1-CG 3.85Å; I386-L452 WeakPolarHBondContact CD1-O 3.18Å; I386-L452 HydrophobicContact CG2-CD2 3.76Å; I386-L452 HydrophobicContact CG2-CG 3.8Å; V417-L452 HydrophobicContact CG1-CB 3.77Å; V417-L452 HydrophobicContact CG1-CD2 4.32Å; P419-L452 HydrophobicContact CB-CD2 4.33Å; L445-L452 HydrophobicContact CD1-CB 4.34Å; S450-L452 PolarHBondContact O-N 2.76Å; L452-I470 HydrophobicContact CD1-CB 4.38Å; L452-I470 HydrophobicContact CD1-CG1 4.4Å; L452-I470 HydrophobicContact CD1-CG2 3.42Å; L452-I470 VanDerWaalsContact CD1-CG2 3.42Å
453	R	94.1	Very high	82.5	Confident	5 Å²	5	37.2 Å²	37.2	2%	0.019	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	-43.2	-177.5	-170.3	-180	-170.8	-91.7	-9.3	113.7	T373 P374 I376 L380 T382 V471 L473	T373-R453 HydrophobicContact CG2-CG 3.75Å; T373-R453 WeakPolarHBondContact CG2-O 3.13Å; P374-R453 HydrophobicContact CG-CB 4.13Å; P374-R453 HydrophobicContact CG-CG 4.28Å; I376-R453 VanDerWaalsContact CD1-CZ 3.46Å; L380-R453 PolarHBondContact O-NH1 3.5Å; L380-R453 VanDerWaalsContact O-NH1 3.09Å; L380-R453 PolarHBondContact O-NH2 2.81Å; T382-R453 VanDerWaalsContact CG2-NH1 3.33Å; R453-V471 WeakPolarHBondContact CA-O 3.4Å; R453-V471 WeakPolarHBondContact CB-O 3.11Å; R453-V471 PolarHBondContact N-O 2.96Å; R453-L473 HydrophobicContact CB-CG 4.33Å
454	Q	95.7	Very high	82.9	Confident	7 Å²	7	36.7 Å²	36.7	3%	0.033	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.1	175.4	-54.8	174.7	-79.6	0	0	109.7	L41 T382 I470 V471 S551	L41-Q454 VanDerWaalsContact N-OE1 3.12Å; L41-Q454 PolarHBondContact O-NE2 2.78Å; T382-Q454 HydrophobicContact CG2-CG 3.75Å; Q454-I470 WeakPolarHBondContact O-CA 3.28Å; Q454-V471 HydrophobicContact CB-CB 3.83Å; Q454-V471 HydrophobicContact CB-CG2 3.99Å; Q454-V471 HydrophobicContact CG-CB 4.11Å; Q454-V471 HydrophobicContact CG-CG2 4.37Å; Q454-V471 PolarHBondContact N-O 3.27Å; Q454-V471 VanDerWaalsContact N-O 3.08Å; Q454-V471 PolarHBondContact O-N 3.47Å; Q454-S551 VanDerWaalsContact NE2-CB 3.31Å; Q454-S551 PolarHBondContact NE2-OG 2.8Å
455	L	94.8	Very high	83.5	Confident	9 Å²	9	30.4 Å²	30.4	5%	0.047	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	126.8	173.2	-176.1	159.9	0	0	0	107	I386 A389 P419 F468 F469	I386-L455 HydrophobicContact CG2-CB 4.13Å; A389-L455 HydrophobicContact CB-CD2 3.86Å; P419-L455 HydrophobicContact CB-CD1 3.72Å; L455-F468 HydrophobicContact CD2-CD1 4.32Å; L455-F468 HydrophobicContact CD2-CE1 4.29Å; L455-F468 HydrophobicContact CG-CD1 4.35Å; L455-F469 WeakPolarHBondContact CA-O 3.44Å
456	A	95.4	Very high	84.4	Confident	2 Å²	2	29.2 Å²	29.2	2%	0.017	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	148.9	175.8	0	0	0	0	0	110.8	F44 F469 L553	F44-A456 HydrophobicContact CE2-CB 3.93Å; F44-A456 HydrophobicContact CZ-CB 4.11Å; A456-F469 HydrophobicContact CB-CB 4.37Å; A456-F469 PolarHBondContact N-O 3.47Å; A456-F469 PolarHBondContact O-N 3.16Å; A456-L553 HydrophobicContact CB-CB 3.73Å; A456-L553 HydrophobicContact CB-CD1 3.76Å; A456-L553 HydrophobicContact CB-CG 4.37Å
457	F	94	Very high	85.6	Confident	9 Å²	9	27.1 Å²	27.1	4%	0.039	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	147.9	167.5	-60.8	-47.4	0	0	0	110.2	A389 V390 V393 L466 D467 F468	A389-F457 HydrophobicContact CB-CD2 3.68Å; A389-F457 HydrophobicContact CB-CE2 3.86Å; A389-F457 HydrophobicContact CB-CG 4.08Å; A389-F457 HydrophobicContact CB-CZ 4.4Å; A389-F457 WeakPolarHBondContact O-CE2 3.47Å; V390-F457 VanDerWaalsContact C-CD2 3.47Å; V393-F457 HydrophobicContact CG1-CD1 4.13Å; V393-F457 HydrophobicContact CG1-CE1 3.52Å; V393-F457 HydrophobicContact CG1-CE2 4.24Å; V393-F457 HydrophobicContact CG1-CZ 3.57Å; F457-L466 HydrophobicContact CB-CB 4.44Å; F457-L466 HydrophobicContact CB-CD1 4.21Å; F457-L466 HydrophobicContact CB-CD2 4.25Å; F457-L466 HydrophobicContact CD2-CD1 4.23Å; F457-L466 HydrophobicContact CG-CD1 4.15Å; F457-D467 WeakPolarHBondContact CA-O 3.44Å; F457-F468 HydrophobicContact CD1-CD1 4.37Å; F457-F468 AromaticContact CD1-CE1 3.97Å; F457-F468 HydrophobicContact CD1-CE1 3.97Å; F457-F468 HydrophobicContact CD1-CZ 4.06Å; F457-F468 HydrophobicContact CE1-CD1 4.32Å; F457-F468 AromaticContact CE1-CE1 3.49Å; F457-F468 HydrophobicContact CE1-CE1 3.49Å; F457-F468 VanDerWaalsContact CE1-CE1 3.49Å; F457-F468 HydrophobicContact CE1-CE2 4.32Å; F457-F468 AromaticContact CE1-CZ 3.51Å; F457-F468 HydrophobicContact CE1-CZ 3.51Å
458	F	92	Very high	86.7	Confident	1 Å²	1	21.1 Å²	21.1	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	163.5	179.2	-165	-115.1	0	0	0	110.1	F44 M53 I55 Q460 L466 D467 F469 V555	F44-F458 HydrophobicContact CB-CE2 4.24Å; F44-F458 AromaticContact CD1-CD2 3.7Å; F44-F458 HydrophobicContact CD1-CD2 3.7Å; F44-F458 AromaticContact CD1-CE2 3.48Å; F44-F458 HydrophobicContact CD1-CE2 3.48Å; F44-F458 VanDerWaalsContact CD1-CE2 3.48Å; F44-F458 HydrophobicContact CD1-CZ 4.41Å; F44-F458 HydrophobicContact CD2-CD2 4.09Å; F44-F458 HydrophobicContact CD2-CE2 4.44Å; F44-F458 AromaticContact CE1-CD2 3.67Å; F44-F458 HydrophobicContact CE1-CD2 3.67Å; F44-F458 AromaticContact CE1-CE2 3.84Å; F44-F458 HydrophobicContact CE1-CE2 3.84Å; F44-F458 HydrophobicContact CE1-CG 4.4Å; F44-F458 HydrophobicContact CE2-CD2 4.05Å; F44-F458 AromaticContact CG-CD2 3.92Å; F44-F458 HydrophobicContact CG-CD2 3.92Å; F44-F458 AromaticContact CG-CE2 3.82Å; F44-F458 HydrophobicContact CG-CE2 3.82Å; F44-F458 AromaticContact CZ-CD2 3.85Å; F44-F458 HydrophobicContact CZ-CD2 3.85Å; F44-F458 HydrophobicContact CZ-CE2 4.46Å; F44-F458 HydrophobicContact CZ-CG 4.45Å; M53-F458 HydrophobicContact CB-CE2 3.7Å; M53-F458 HydrophobicContact CB-CZ 3.67Å; M53-F458 WeakPolarHBondContact O-CZ 3.32Å; I55-F458 HydrophobicContact CG1-CZ 4.07Å; F458-Q460 HydrophobicContact CD1-CB 4Å; F458-Q460 HydrophobicContact CE1-CB 4.11Å; F458-L466 CarbonylContact O-C 3.47Å; F458-L466 WeakPolarHBondContact O-CA 3.36Å; F458-D467 PolarHBondContact N-O 2.66Å; F458-D467 WeakPolarHBondContact O-CA 2.93Å; F458-D467 WeakPolarHBondContact O-CB 3.09Å; F458-D467 PolarHBondContact O-N 3.11Å; F458-F469 HydrophobicContact CB-CD2 3.84Å; F458-F469 AromaticContact CD1-CD2 3.97Å; F458-F469 HydrophobicContact CD1-CD2 3.97Å; F458-F469 AromaticContact CD1-CE2 3.79Å; F458-F469 HydrophobicContact CD1-CE2 3.79Å; F458-F469 HydrophobicContact CD2-CD2 4.42Å; F458-F469 HydrophobicContact CE1-CE2 4.11Å; F458-F469 AromaticContact CG-CD2 3.83Å; F458-F469 HydrophobicContact CG-CD2 3.83Å; F458-F469 HydrophobicContact CG-CE2 4.08Å; F458-V555 HydrophobicContact CD2-CG1 4.38Å
459	D	87.7	Confident	87.8	Confident	7 Å²	7	17.3 Å²	17.3	4%	0.037	9%	0.091	C	C	.	.			trans	-129.3	85.3	175.1	175.2	6.7	0	0	0	106.8	S461 D462 D463 S464 K496 F557	D459-S461 VanDerWaalsContact C-N 3.34Å; D459-D462 WeakPolarHBondContact OD1-CA 3.13Å; D459-D462 PolarHBondContact OD1-N 3.31Å; D459-D463 PolarHBondContact OD1-N 3.31Å; D459-S464 PolarHBondContact OD1-N 3.22Å; D459-S464 WeakPolarHBondContact OD2-CA 3.34Å; D459-S464 PolarHBondContact OD2-N 3.16Å; D459-K496 IonicContact OD2-NZ 2.86Å; D459-K496 PolarHBondContact OD2-NZ 2.95Å; D459-F557 HydrophobicContact CB-CZ 3.99Å
460	Q	85	Confident	88.8	Confident	28 Å²	28	16.2 Å²	16.2	13%	0.131	9%	0.086	C	C	.	.	S	Bend	trans	-70.3	-35.6	-173.8	171.1	65.8	34.6	0	0	111.5	L33 F458 D462 D467 L483 L485	L33-Q460 HydrophobicContact CD2-CG 4.5Å; F458-Q460 HydrophobicContact CD1-CB 4Å; F458-Q460 HydrophobicContact CE1-CB 4.11Å; Q460-D462 VanDerWaalsContact C-N 3.3Å; Q460-D467 VanDerWaalsContact CB-OD2 3.26Å; Q460-D467 WeakPolarHBondContact CB-OD2 3.43Å; Q460-D467 PolarHBondContact N-OD2 2.89Å; Q460-L483 HydrophobicContact CB-CD2 4.3Å; Q460-L483 HydrophobicContact CG-CD2 4.01Å; Q460-L485 HydrophobicContact CB-CD2 3.57Å; Q460-L485 HydrophobicContact CG-CD2 3.8Å
461	S	78.9	Confident	89.9	Confident	30 Å²	30	13.2 Å²	13.2	21%	0.21	6%	0.064	C	C	.	.	S	Bend	trans	-87.8	-1.9	-174.3	-60.1	0	0	0	0	112.9	D459 D463	D459-S461 VanDerWaalsContact C-N 3.34Å; S461-D463 PolarHBondContact O-N 2.83Å
462	D	80.7	Confident	90	Very high	41 Å²	41	9 Å²	9	22%	0.219	5%	0.049	C	C	.	.	S	Bend	trans	51.3	34.5	-168.7	-166.4	36.1	0	0	0	111.3	F76 D459 Q460 K496	F76-D462 WeakPolarHBondContact CE2-O 3.41Å; F76-D462 VanDerWaalsContact CZ-O 3.29Å; F76-D462 WeakPolarHBondContact CZ-O 3.23Å; D459-D462 WeakPolarHBondContact OD1-CA 3.13Å; D459-D462 PolarHBondContact OD1-N 3.31Å; Q460-D462 VanDerWaalsContact C-N 3.3Å; D462-K496 IonicContact OD1-NZ 2.83Å; D462-K496 PolarHBondContact OD1-NZ 3.19Å
463	D	80	Confident	90	Very high	14 Å²	14	9 Å²	9	8%	0.075	5%	0.048	C	C	.	.	S	Bend	trans	-102.7	2.2	-174.9	72.5	2.7	0	0	0	114.2	F76 D459 S461 I465	F76-D463 HydrophobicContact CD1-CB 3.36Å; F76-D463 HydrophobicContact CE1-CB 3.47Å; F76-D463 VanDerWaalsContact CE1-CB 3.47Å; F76-D463 VanDerWaalsContact CE1-O 3.3Å; F76-D463 WeakPolarHBondContact CE1-O 3.38Å; F76-D463 HydrophobicContact CG-CB 4.2Å; F76-D463 VanDerWaalsContact CZ-CA 3.47Å; F76-D463 HydrophobicContact CZ-CB 4.26Å; D459-D463 PolarHBondContact OD1-N 3.31Å; S461-D463 PolarHBondContact O-N 2.83Å; D463-I465 PolarHBondContact O-N 2.99Å; D463-I465 VanDerWaalsContact OD1-CB 3.3Å; D463-I465 WeakPolarHBondContact OD1-CB 3.27Å; D463-I465 PolarHBondContact OD1-N 3.25Å
464	S	85.3	Confident	89.9	Confident	1 Å²	1	9.7 Å²	9.7	1%	0.007	5%	0.053	C	C	.	.	S	Bend	trans	64.1	10.6	-175.7	-48	0	0	0	0	114.6	D459 F494	D459-S464 PolarHBondContact OD1-N 3.22Å; D459-S464 WeakPolarHBondContact OD2-CA 3.34Å; D459-S464 PolarHBondContact OD2-N 3.16Å; S464-F494 WeakPolarHBondContact OG-CD2 3.3Å; S464-F494 WeakPolarHBondContact OG-CE2 3.49Å
465	I	85.4	Confident	89.5	Confident	26 Å²	26	13.2 Å²	13.2	13%	0.133	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-90.8	130.3	166.9	-57.7	177.8	0	0	0	107.5	D463 D467	D463-I465 PolarHBondContact O-N 2.99Å; D463-I465 VanDerWaalsContact OD1-CB 3.3Å; D463-I465 WeakPolarHBondContact OD1-CB 3.27Å; D463-I465 PolarHBondContact OD1-N 3.25Å; I465-D467 PolarHBondContact O-N 2.7Å
466	L	89.7	Confident	89.3	Confident	7 Å²	7	19.4 Å²	19.4	4%	0.037	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-80.1	118.9	-178.4	-64.5	-179.9	0	0	0	111.7	Y30 V393 F457 F458 I559	Y30-L466 PolarHBondContact OH-O 3.47Å; V393-L466 HydrophobicContact CG1-CB 4.28Å; V393-L466 HydrophobicContact CG1-CD1 4.09Å; F457-L466 HydrophobicContact CB-CB 4.44Å; F457-L466 HydrophobicContact CB-CD1 4.21Å; F457-L466 HydrophobicContact CB-CD2 4.25Å; F457-L466 HydrophobicContact CD2-CD1 4.23Å; F457-L466 HydrophobicContact CG-CD1 4.15Å; F458-L466 CarbonylContact O-C 3.47Å; F458-L466 WeakPolarHBondContact O-CA 3.36Å; L466-I559 HydrophobicContact CD2-CD1 3.99Å
467	D	90.4	Very high	89	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	169.2	168.5	-60.1	-46.5	0	0	0	111.5	F457 F458 Q460 I465 L483 F484 L485 S486	F457-D467 WeakPolarHBondContact CA-O 3.44Å; F458-D467 PolarHBondContact N-O 2.66Å; F458-D467 WeakPolarHBondContact O-CA 2.93Å; F458-D467 WeakPolarHBondContact O-CB 3.09Å; F458-D467 PolarHBondContact O-N 3.11Å; Q460-D467 VanDerWaalsContact CB-OD2 3.26Å; Q460-D467 WeakPolarHBondContact CB-OD2 3.43Å; Q460-D467 PolarHBondContact N-OD2 2.89Å; I465-D467 PolarHBondContact O-N 2.7Å; D467-L483 HydrophobicContact CB-CD1 4.31Å; D467-F484 WeakPolarHBondContact CB-O 3.35Å; D467-L485 HydrophobicContact CB-CD2 4.09Å; D467-L485 VanDerWaalsContact CG-CD2 3.44Å; D467-L485 VanDerWaalsContact OD1-CA 3.27Å; D467-L485 WeakPolarHBondContact OD1-CA 3.46Å; D467-L485 WeakPolarHBondContact OD2-CD2 3.49Å; D467-S486 PolarHBondContact OD1-N 3.05Å
468	F	92.1	Very high	88.9	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.9	179.6	-76	-99.4	0	0	0	112.2	Y30 V421 V440 L455 F457 I470 F484	Y30-F468 AromaticContact CD1-CD2 3.74Å; Y30-F468 HydrophobicContact CD1-CD2 3.74Å; Y30-F468 HydrophobicContact CD1-CE2 4.32Å; Y30-F468 AromaticContact CE1-CD2 3.35Å; Y30-F468 HydrophobicContact CE1-CD2 3.35Å; Y30-F468 AromaticContact CE1-CE2 3.63Å; Y30-F468 HydrophobicContact CE1-CE2 3.63Å; Y30-F468 HydrophobicContact CE2-CD2 4.21Å; Y30-F468 AromaticContact CE2-CE2 3.84Å; Y30-F468 HydrophobicContact CE2-CE2 3.84Å; Y30-F468 HydrophobicContact CG-CD2 4.34Å; Y30-F468 AromaticContact CZ-CD2 3.62Å; Y30-F468 AromaticContact CZ-CE2 3.35Å; Y30-F468 WeakPolarHBondContact OH-CE2 3.34Å; V421-F468 HydrophobicContact CG2-CE1 4.01Å; V421-F468 HydrophobicContact CG2-CZ 3.46Å; V421-F468 VanDerWaalsContact CG2-CZ 3.46Å; V440-F468 HydrophobicContact CG1-CD2 4.03Å; V440-F468 HydrophobicContact CG1-CE1 4.48Å; V440-F468 HydrophobicContact CG1-CE2 3.96Å; V440-F468 HydrophobicContact CG1-CG 4.33Å; V440-F468 HydrophobicContact CG1-CZ 4.18Å; V440-F468 HydrophobicContact CG2-CD1 4.16Å; V440-F468 HydrophobicContact CG2-CE1 3.57Å; V440-F468 HydrophobicContact CG2-CE2 4.24Å; V440-F468 HydrophobicContact CG2-CZ 3.62Å; L455-F468 HydrophobicContact CD2-CD1 4.32Å; L455-F468 HydrophobicContact CD2-CE1 4.29Å; L455-F468 HydrophobicContact CG-CD1 4.35Å; F457-F468 HydrophobicContact CD1-CD1 4.37Å; F457-F468 AromaticContact CD1-CE1 3.97Å; F457-F468 HydrophobicContact CD1-CE1 3.97Å; F457-F468 HydrophobicContact CD1-CZ 4.06Å; F457-F468 HydrophobicContact CE1-CD1 4.32Å; F457-F468 AromaticContact CE1-CE1 3.49Å; F457-F468 HydrophobicContact CE1-CE1 3.49Å; F457-F468 VanDerWaalsContact CE1-CE1 3.49Å; F457-F468 HydrophobicContact CE1-CE2 4.32Å; F457-F468 AromaticContact CE1-CZ 3.51Å; F457-F468 HydrophobicContact CE1-CZ 3.51Å; F468-I470 HydrophobicContact CB-CD1 4.45Å; F468-F484 HydrophobicContact CB-CB 4.23Å; F468-F484 PolarHBondContact N-O 3.36Å; F468-F484 PolarHBondContact O-N 2.85Å
469	F	92.8	Very high	89.1	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.6	162.9	-111.4	-60.6	0	0	0	109.5	W36 L41 F44 I55 F57 L455 A456 F458 Q482 L483	W36-F469 HydrophobicContact CE3-CE1 4.28Å; W36-F469 HydrophobicContact CH2-CE1 4.3Å; W36-F469 HydrophobicContact CH2-CZ 4.08Å; W36-F469 AromaticContact CZ3-CE1 3.58Å; W36-F469 HydrophobicContact CZ3-CE1 3.58Å; W36-F469 AromaticContact CZ3-CZ 3.83Å; W36-F469 HydrophobicContact CZ3-CZ 3.83Å; L41-F469 HydrophobicContact CD1-CB 3.55Å; L41-F469 HydrophobicContact CD1-CD1 3.73Å; L41-F469 HydrophobicContact CD1-CG 3.82Å; L41-F469 HydrophobicContact CD2-CD1 3.68Å; L41-F469 HydrophobicContact CD2-CD2 4.47Å; L41-F469 HydrophobicContact CD2-CE1 3.92Å; L41-F469 HydrophobicContact CD2-CG 3.98Å; L41-F469 HydrophobicContact CD2-CZ 4.45Å; L41-F469 HydrophobicContact CG-CD1 4.2Å; F44-F469 AromaticContact CE1-CD2 3.85Å; F44-F469 HydrophobicContact CE1-CD2 3.85Å; F44-F469 HydrophobicContact CE1-CE2 4.19Å; F44-F469 HydrophobicContact CE1-CG 4.49Å; F44-F469 HydrophobicContact CZ-CB 4.3Å; F44-F469 AromaticContact CZ-CD2 3.91Å; F44-F469 HydrophobicContact CZ-CD2 3.91Å; F44-F469 HydrophobicContact CZ-CG 4.31Å; I55-F469 HydrophobicContact CD1-CE2 3.64Å; I55-F469 HydrophobicContact CD1-CZ 3.45Å; I55-F469 VanDerWaalsContact CD1-CZ 3.45Å; I55-F469 HydrophobicContact CG1-CE2 4Å; I55-F469 HydrophobicContact CG1-CZ 4.13Å; F57-F469 HydrophobicContact CE1-CE1 4.43Å; F57-F469 HydrophobicContact CZ-CE1 4.24Å; F57-F469 HydrophobicContact CZ-CZ 4.48Å; L455-F469 WeakPolarHBondContact CA-O 3.44Å; A456-F469 HydrophobicContact CB-CB 4.37Å; A456-F469 PolarHBondContact N-O 3.47Å; A456-F469 PolarHBondContact O-N 3.16Å; F458-F469 HydrophobicContact CB-CD2 3.84Å; F458-F469 AromaticContact CD1-CD2 3.97Å; F458-F469 HydrophobicContact CD1-CD2 3.97Å; F458-F469 AromaticContact CD1-CE2 3.79Å; F458-F469 HydrophobicContact CD1-CE2 3.79Å; F458-F469 HydrophobicContact CD2-CD2 4.42Å; F458-F469 HydrophobicContact CE1-CE2 4.11Å; F458-F469 AromaticContact CG-CD2 3.83Å; F458-F469 HydrophobicContact CG-CD2 3.83Å; F458-F469 HydrophobicContact CG-CE2 4.08Å; F469-Q482 WeakPolarHBondContact CD1-O 3.32Å; F469-L483 HydrophobicContact CD1-CB 4.29Å; F469-L483 HydrophobicContact CD2-CD1 3.83Å; F469-L483 HydrophobicContact CE1-CB 3.8Å; F469-L483 HydrophobicContact CE2-CB 4.32Å; F469-L483 HydrophobicContact CE2-CD1 3.72Å; F469-L483 HydrophobicContact CE2-CD2 4.18Å; F469-L483 HydrophobicContact CE2-CG 4.29Å; F469-L483 HydrophobicContact CG-CD1 4.28Å; F469-L483 HydrophobicContact CZ-CB 3.79Å; F469-L483 HydrophobicContact CZ-CD1 4.09Å; F469-L483 HydrophobicContact CZ-CD2 4.07Å; F469-L483 HydrophobicContact CZ-CG 4.2Å
470	I	94.2	Very high	89.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.5	-176.2	-75.5	170.3	0	0	0	109.1	P419 V443 L445 L452 Q454 F468 A481 Q482 F484	P419-I470 HydrophobicContact CB-CD1 3.85Å; P419-I470 HydrophobicContact CG-CD1 3.83Å; V443-I470 HydrophobicContact CG1-CD1 3.61Å; V443-I470 HydrophobicContact CG2-CD1 4.41Å; L445-I470 HydrophobicContact CD2-CG2 4.09Å; L452-I470 HydrophobicContact CD1-CB 4.38Å; L452-I470 HydrophobicContact CD1-CG1 4.4Å; L452-I470 HydrophobicContact CD1-CG2 3.42Å; L452-I470 VanDerWaalsContact CD1-CG2 3.42Å; Q454-I470 WeakPolarHBondContact O-CA 3.28Å; F468-I470 HydrophobicContact CB-CD1 4.45Å; I470-A481 CarbonylContact O-C 3.52Å; I470-A481 WeakPolarHBondContact O-CA 3.29Å; I470-Q482 PolarHBondContact N-O 3.02Å; I470-Q482 PolarHBondContact O-N 2.87Å; I470-F484 HydrophobicContact CB-CD2 4.42Å; I470-F484 HydrophobicContact CB-CE2 4.14Å; I470-F484 HydrophobicContact CD1-CD2 4Å; I470-F484 HydrophobicContact CD1-CE2 3.99Å
471	V	94.9	Very high	89.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.9	167.8	-175.3	0	0	0	0	108.8	Q40 L41 R453 Q454 P479 S480 A481	Q40-V471 HydrophobicContact CG-CG1 4.47Å; L41-V471 HydrophobicContact CB-CG2 4.25Å; L41-V471 HydrophobicContact CD1-CG2 3.68Å; L41-V471 HydrophobicContact CG-CG2 3.76Å; R453-V471 WeakPolarHBondContact CA-O 3.4Å; R453-V471 WeakPolarHBondContact CB-O 3.11Å; R453-V471 PolarHBondContact N-O 2.96Å; Q454-V471 HydrophobicContact CB-CB 3.83Å; Q454-V471 HydrophobicContact CB-CG2 3.99Å; Q454-V471 HydrophobicContact CG-CB 4.11Å; Q454-V471 HydrophobicContact CG-CG2 4.37Å; Q454-V471 PolarHBondContact N-O 3.27Å; Q454-V471 VanDerWaalsContact N-O 3.08Å; Q454-V471 PolarHBondContact O-N 3.47Å; V471-P479 HydrophobicContact CG1-CB 3.85Å; V471-S480 WeakPolarHBondContact CA-O 3.38Å; V471-A481 HydrophobicContact CG2-CB 3.9Å
472	S	94.3	Very high	90.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	154	178.6	53.1	0	0	0	0	110.9	N449 R451 P479 S480	N449-S472 WeakPolarHBondContact CB-OG 3.31Å; N449-S472 WeakPolarHBondContact O-CB 3.27Å; R451-S472 CarbonylContact O-C 3.56Å; R451-S472 VanDerWaalsContact O-CA 3.31Å; R451-S472 WeakPolarHBondContact O-CA 3.37Å; S472-P479 CarbonylContact O-C 3.57Å; S472-P479 WeakPolarHBondContact O-CA 3.08Å; S472-S480 PolarHBondContact N-O 3.32Å; S472-S480 PolarHBondContact O-N 2.97Å
473	L	93.3	Very high	90.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.5	176.8	-57.2	174.4	0	0	0	110.7	P374 I376 N449 R451 R453 Q478 P479	P374-L473 HydrophobicContact CB-CD1 3.89Å; P374-L473 HydrophobicContact CG-CD1 3.75Å; I376-L473 HydrophobicContact CG2-CD1 3.44Å; I376-L473 VanDerWaalsContact CG2-CD1 3.44Å; I376-L473 HydrophobicContact CG2-CD2 3.83Å; I376-L473 HydrophobicContact CG2-CG 4.28Å; N449-L473 CarbonylContact C-O 3.51Å; N449-L473 WeakPolarHBondContact CA-O 3.16Å; R451-L473 HydrophobicContact CB-CB 4.07Å; R451-L473 PolarHBondContact O-N 2.75Å; R453-L473 HydrophobicContact CB-CG 4.33Å; L473-Q478 WeakPolarHBondContact CA-O 3.37Å; L473-P479 HydrophobicContact CD2-CB 3.89Å
474	N	90.8	Very high	91.4	Very high	21 Å²	21	21.8 Å²	21.8	11%	0.112	12%	0.115	C	C	.	.			trans	-77.8	179.6	171	75.8	1.8	0	0	0	112.4	D448 N449 H476 D477 Q478	D448-N474 CarbonylContact O-C 3.57Å; D448-N474 WeakPolarHBondContact O-CA 3.5Å; N449-N474 WeakPolarHBondContact OD1-CB 3.12Å; N474-H476 PolarHBondContact O-N 3.23Å; N474-H476 VanDerWaalsContact O-N 3.11Å; N474-H476 VanDerWaalsContact OD1-C 3.26Å; N474-H476 VanDerWaalsContact OD1-CA 3.26Å; N474-H476 WeakPolarHBondContact OD1-CA 3.47Å; N474-H476 WeakPolarHBondContact OD1-CB 3.43Å; N474-H476 PolarHBondContact OD1-N 2.72Å; N474-D477 PolarHBondContact O-N 2.84Å; N474-D477 VanDerWaalsContact O-N 3.08Å; N474-D477 PolarHBondContact OD1-N 2.83Å; N474-Q478 PolarHBondContact N-O 2.74Å; N474-Q478 PolarHBondContact ND2-OE1 3.42Å; N474-Q478 WeakPolarHBondContact OD1-CB 3.01Å; N474-Q478 PolarHBondContact OD1-N 2.92Å; N474-Q478 PolarHBondContact OD1-O 2.88Å
475	S	88.5	Confident	91.5	Very high	80 Å²	80	22.1 Å²	22.1	56%	0.559	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.8	174.2	55.5	0	0	0	0	115	D448	D448-S475 PolarHBondContact O-N 2.82Å; D448-S475 WeakPolarHBondContact OD1-CB 3.5Å; D448-S475 PolarHBondContact OD1-N 2.71Å; D448-S475 PolarHBondContact OD1-OG 2.72Å
476	H	89.1	Confident	91.4	Very high	140 Å²	140	20.9 Å²	20.9	65%	0.648	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	14.7	176.6	-60.9	-50.8	0	0	0	113.9	N474 Q478	N474-H476 PolarHBondContact O-N 3.23Å; N474-H476 VanDerWaalsContact O-N 3.11Å; N474-H476 VanDerWaalsContact OD1-C 3.26Å; N474-H476 VanDerWaalsContact OD1-CA 3.26Å; N474-H476 WeakPolarHBondContact OD1-CA 3.47Å; N474-H476 WeakPolarHBondContact OD1-CB 3.43Å; N474-H476 PolarHBondContact OD1-N 2.72Å; H476-Q478 HydrophobicContact CB-CG 4.18Å; H476-Q478 PolarHBondContact O-N 3.16Å
477	D	90.4	Very high	90.8	Very high	69 Å²	69	22.6 Å²	22.6	37%	0.369	12%	0.122	S	C	.	.	S	Bend	trans	61.5	17	-175.2	-62.2	-46.9	0	0	0	114.3	I376 R451 N474	I376-D477 HydrophobicContact CG2-CB 4.47Å; R451-D477 IonicContact CZ-OD1 2.88Å; R451-D477 IonicContact NH1-OD1 2.66Å; R451-D477 PolarHBondContact NH1-OD1 3.06Å; R451-D477 IonicContact NH2-OD1 2.74Å; R451-D477 PolarHBondContact NH2-OD1 2.87Å; N474-D477 PolarHBondContact O-N 2.84Å; N474-D477 VanDerWaalsContact O-N 3.08Å; N474-D477 PolarHBondContact OD1-N 2.83Å
478	Q	92.3	Very high	89.8	Confident	95 Å²	95	24.2 Å²	24.2	44%	0.444	13%	0.132	S	C	.	.			trans	-85.5	132.5	175.9	-56.6	174.4	-55.9	0	0	110	L473 N474 H476	L473-Q478 WeakPolarHBondContact CA-O 3.37Å; N474-Q478 PolarHBondContact N-O 2.74Å; N474-Q478 PolarHBondContact ND2-OE1 3.42Å; N474-Q478 WeakPolarHBondContact OD1-CB 3.01Å; N474-Q478 PolarHBondContact OD1-N 2.92Å; N474-Q478 PolarHBondContact OD1-O 2.88Å; H476-Q478 HydrophobicContact CB-CG 4.18Å; H476-Q478 PolarHBondContact O-N 3.16Å
479	P	94.3	Very high	88.5	Confident	4 Å²	4	30.8 Å²	30.8	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	153	-179.3	31	-32.4	0	0	0	112.2	D38 F39 Q40 V471 S472 L473	D38-P479 WeakPolarHBondContact CA-O 3.41Å; D38-P479 PolarHBondContact N-O 3.27Å; F39-P479 PolarHBondContact N-O 3.38Å; Q40-P479 HydrophobicContact CG-CB 3.49Å; Q40-P479 VanDerWaalsContact CG-CB 3.49Å; Q40-P479 HydrophobicContact CG-CG 3.4Å; Q40-P479 VanDerWaalsContact CG-CG 3.4Å; V471-P479 HydrophobicContact CG1-CB 3.85Å; S472-P479 CarbonylContact O-C 3.57Å; S472-P479 WeakPolarHBondContact O-CA 3.08Å; L473-P479 HydrophobicContact CD2-CB 3.89Å
480	S	93.8	Very high	87.3	Confident	8 Å²	8	34.2 Å²	34.2	6%	0.056	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	119.2	169.8	-179.7	0	0	0	0	108.5	W36 V471 S472	W36-S480 WeakPolarHBondContact O-CA 3.39Å; V471-S480 WeakPolarHBondContact CA-O 3.38Å; S472-S480 PolarHBondContact N-O 3.32Å; S472-S480 PolarHBondContact O-N 2.97Å
481	A	93.8	Very high	86.2	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	138.2	174.2	0	0	0	0	0	110.4	A35 W36 F39 F57 I470 V471	A35-A481 CarbonylContact C-O 3.59Å; A35-A481 VanDerWaalsContact CA-O 3.27Å; A35-A481 WeakPolarHBondContact CA-O 3.06Å; W36-A481 HydrophobicContact CE3-CB 4.44Å; W36-A481 PolarHBondContact N-O 2.9Å; W36-A481 PolarHBondContact O-N 2.94Å; F39-A481 HydrophobicContact CB-CB 4.4Å; F39-A481 PolarHBondContact O-N 3.47Å; F57-A481 HydrophobicContact CD1-CB 4.23Å; F57-A481 HydrophobicContact CE1-CB 3.59Å; F57-A481 HydrophobicContact CZ-CB 4.38Å; I470-A481 CarbonylContact O-C 3.52Å; I470-A481 WeakPolarHBondContact O-CA 3.29Å; V471-A481 HydrophobicContact CG2-CB 3.9Å
482	Q	91.7	Very high	85.3	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.019	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.5	-175.5	-60.7	-178.4	-17.2	0	0	108.9	N34 A35 F469 I470 F484	N34-Q482 WeakPolarHBondContact O-CA 3.42Å; A35-Q482 HydrophobicContact CB-CG 4Å; F469-Q482 WeakPolarHBondContact CD1-O 3.32Å; I470-Q482 PolarHBondContact N-O 3.02Å; I470-Q482 PolarHBondContact O-N 2.87Å; Q482-F484 HydrophobicContact CB-CD2 4.26Å; Q482-F484 HydrophobicContact CB-CE2 3.52Å; Q482-F484 HydrophobicContact CB-CZ 4.17Å
483	L	91.4	Very high	84.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.6	175.5	174.4	59.5	0	0	0	109.2	L33 N34 W36 F88 Q460 D467 F469 L485	L33-L483 HydrophobicContact CD2-CD2 4.04Å; L33-L483 PolarHBondContact N-O 2.79Å; N34-L483 PolarHBondContact O-N 3.47Å; W36-L483 HydrophobicContact CH2-CB 4.28Å; W36-L483 HydrophobicContact CZ3-CB 3.95Å; F88-L483 HydrophobicContact CE1-CD2 4.25Å; F88-L483 HydrophobicContact CE2-CD2 4.34Å; F88-L483 HydrophobicContact CZ-CD2 3.54Å; Q460-L483 HydrophobicContact CB-CD2 4.3Å; Q460-L483 HydrophobicContact CG-CD2 4.01Å; D467-L483 HydrophobicContact CB-CD1 4.31Å; F469-L483 HydrophobicContact CD1-CB 4.29Å; F469-L483 HydrophobicContact CD2-CD1 3.83Å; F469-L483 HydrophobicContact CE1-CB 3.8Å; F469-L483 HydrophobicContact CE2-CB 4.32Å; F469-L483 HydrophobicContact CE2-CD1 3.72Å; F469-L483 HydrophobicContact CE2-CD2 4.18Å; F469-L483 HydrophobicContact CE2-CG 4.29Å; F469-L483 HydrophobicContact CG-CD1 4.28Å; F469-L483 HydrophobicContact CZ-CB 3.79Å; F469-L483 HydrophobicContact CZ-CD1 4.09Å; F469-L483 HydrophobicContact CZ-CD2 4.07Å; F469-L483 HydrophobicContact CZ-CG 4.2Å; L483-L485 HydrophobicContact CD1-CD2 4.2Å; L483-L485 HydrophobicContact CD2-CD2 4.3Å; L483-L485 HydrophobicContact CG-CD2 4.15Å
484	F	90.1	Very high	84.7	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	119.8	177.8	-64.6	-96.1	0	0	0	109.4	Q31 Q32 V443 D467 F468 I470 Q482	Q31-F484 CarbonylContact O-C 3.48Å; Q31-F484 VanDerWaalsContact O-CA 3.32Å; Q31-F484 WeakPolarHBondContact O-CA 3.12Å; Q32-F484 HydrophobicContact CB-CD1 3.73Å; Q32-F484 HydrophobicContact CB-CE1 3.5Å; Q32-F484 HydrophobicContact CB-CZ 4.18Å; Q32-F484 HydrophobicContact CG-CD1 4.24Å; Q32-F484 HydrophobicContact CG-CE1 3.85Å; Q32-F484 HydrophobicContact CG-CZ 4.01Å; V443-F484 HydrophobicContact CB-CD1 4.37Å; V443-F484 HydrophobicContact CB-CE1 4.23Å; V443-F484 HydrophobicContact CG1-CD1 4.32Å; V443-F484 HydrophobicContact CG1-CD2 4.43Å; V443-F484 HydrophobicContact CG1-CE1 3.88Å; V443-F484 HydrophobicContact CG1-CE2 4Å; V443-F484 HydrophobicContact CG1-CZ 3.72Å; V443-F484 HydrophobicContact CG2-CB 4.27Å; V443-F484 HydrophobicContact CG2-CD1 3.72Å; V443-F484 HydrophobicContact CG2-CD2 4.37Å; V443-F484 HydrophobicContact CG2-CE1 4.08Å; V443-F484 HydrophobicContact CG2-CG 3.88Å; D467-F484 WeakPolarHBondContact CB-O 3.35Å; F468-F484 HydrophobicContact CB-CB 4.23Å; F468-F484 PolarHBondContact N-O 3.36Å; F468-F484 PolarHBondContact O-N 2.85Å; I470-F484 HydrophobicContact CB-CD2 4.42Å; I470-F484 HydrophobicContact CB-CE2 4.14Å; I470-F484 HydrophobicContact CD1-CD2 4Å; I470-F484 HydrophobicContact CD1-CE2 3.99Å; Q482-F484 HydrophobicContact CB-CD2 4.26Å; Q482-F484 HydrophobicContact CB-CE2 3.52Å; Q482-F484 HydrophobicContact CB-CZ 4.17Å
485	L	87.1	Confident	84.7	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.037	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	141.8	178.4	-63.8	-166.6	0	0	0	111.7	Y30 Q31 L33 Q460 D467 L483	Y30-L485 CarbonylContact C-O 3.54Å; Y30-L485 VanDerWaalsContact CA-O 3.22Å; Y30-L485 WeakPolarHBondContact CA-O 3.33Å; Q31-L485 PolarHBondContact N-O 3.41Å; Q31-L485 PolarHBondContact O-N 3.05Å; L33-L485 HydrophobicContact CB-CD1 4.46Å; L33-L485 HydrophobicContact CB-CG 4.04Å; L33-L485 HydrophobicContact CD1-CD1 4.25Å; L33-L485 HydrophobicContact CD2-CD1 3.7Å; L33-L485 HydrophobicContact CD2-CD2 4.22Å; L33-L485 HydrophobicContact CD2-CG 3.89Å; L33-L485 HydrophobicContact CG-CD1 4.36Å; L33-L485 HydrophobicContact CG-CG 4.44Å; Q460-L485 HydrophobicContact CB-CD2 3.57Å; Q460-L485 HydrophobicContact CG-CD2 3.8Å; D467-L485 HydrophobicContact CB-CD2 4.09Å; D467-L485 VanDerWaalsContact CG-CD2 3.44Å; D467-L485 VanDerWaalsContact OD1-CA 3.27Å; D467-L485 WeakPolarHBondContact OD1-CA 3.46Å; D467-L485 WeakPolarHBondContact OD2-CD2 3.49Å; L483-L485 HydrophobicContact CD1-CD2 4.2Å; L483-L485 HydrophobicContact CD2-CD2 4.3Å; L483-L485 HydrophobicContact CG-CD2 4.15Å
486	S	84.4	Confident	84.9	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	132.4	166.9	-173.7	0	0	0	0	110.2	F29 T79 D467 V488	F29-S486 CarbonylContact O-C 3.57Å; F29-S486 WeakPolarHBondContact O-CA 3.45Å; T79-S486 WeakPolarHBondContact CB-O 3.49Å; T79-S486 WeakPolarHBondContact CG2-O 3.44Å; D467-S486 PolarHBondContact OD1-N 3.05Å; S486-V488 WeakPolarHBondContact OG-CB 3.3Å; S486-V488 WeakPolarHBondContact OG-CG2 3Å; S486-V488 PolarHBondContact OG-N 3.04Å
487	T	76.3	Confident	85.2	Confident	43 Å²	43	32.5 Å²	32.5	26%	0.264	17%	0.172	S	C	.	.			trans	-101.8	3.3	171	64.6	0	0	0	0	111.3	D28 F29 Q31 L83 D489	D28-T487 PolarHBondContact O-OG1 2.9Å; F29-T487 VanDerWaalsContact C-OG1 3.27Å; F29-T487 VanDerWaalsContact CA-OG1 3.28Å; F29-T487 WeakPolarHBondContact CA-OG1 3.41Å; F29-T487 PolarHBondContact O-N 3.12Å; F29-T487 PolarHBondContact O-OG1 3.17Å; F29-T487 VanDerWaalsContact O-OG1 3.09Å; Q31-T487 HydrophobicContact CB-CG2 4.05Å; L83-T487 HydrophobicContact CD1-CG2 4.08Å; T487-D489 PolarHBondContact O-N 3.09Å; T487-D489 VanDerWaalsContact O-N 3.13Å
488	V	70.4	Confident	85.4	Confident	35 Å²	35	29.7 Å²	29.7	21%	0.212	16%	0.158	C	C	.	.			trans	-66.5	109.2	-179.3	-178.6	0	0	0	0	109.3	F29 S486 T490	F29-V488 HydrophobicContact CB-CG2 4.03Å; F29-V488 HydrophobicContact CD1-CG2 3.39Å; F29-V488 HydrophobicContact CE1-CG2 4.14Å; F29-V488 HydrophobicContact CG-CG2 4.13Å; S486-V488 WeakPolarHBondContact OG-CB 3.3Å; S486-V488 WeakPolarHBondContact OG-CG2 3Å; S486-V488 PolarHBondContact OG-N 3.04Å; V488-T490 VanDerWaalsContact C-N 3.26Å; V488-T490 HydrophobicContact CG1-CG2 3.36Å; V488-T490 PolarHBondContact O-N 2.02Å; V488-T490 VanDerWaalsContact O-N 3.08Å
489	D	65.5	Low	85.5	Confident	137 Å²	137	25.4 Å²	25.4	73%	0.733	14%	0.138	S	C	*	.			trans	-82.7	76.4	167.5	-169.3	25.9	0	0	0	109.2	T487	T487-D489 PolarHBondContact O-N 3.09Å; T487-D489 VanDerWaalsContact O-N 3.13Å
490	T	67.4	Low	85.6	Confident	73 Å²	73	25.3 Å²	25.3	45%	0.448	14%	0.137	S	C	.	.			trans	-104.6	146	165.3	51.3	0	0	0	0	109.1	V488 P492	V488-T490 VanDerWaalsContact C-N 3.26Å; V488-T490 HydrophobicContact CG1-CG2 3.36Å; V488-T490 PolarHBondContact O-N 2.02Å; V488-T490 VanDerWaalsContact O-N 3.08Å; T490-P492 WeakPolarHBondContact O-CD 3.19Å
491	D	71.3	Confident	85.7	Confident	100 Å²	100	25 Å²	25	54%	0.535	14%	0.135	S	C	.	.			trans	-111.8	53.4	175.3	-168.6	24.4	0	0	0	111.4	K594	D491-K594 WeakPolarHBondContact O-CE 3.41Å; D491-K594 PolarHBondContact O-NZ 3.1Å; D491-K594 IonicContact OD1-NZ 3.25Å; D491-K594 PolarHBondContact OD1-NZ 2.69Å; D491-K594 IonicContact OD2-NZ 3.36Å; D491-K594 PolarHBondContact OD2-NZ 2.99Å
492	P	75.4	Confident	85.8	Confident	16 Å²	16	25.1 Å²	25.1	10%	0.104	14%	0.136	C	C	.	.			trans	-71.1	154	-176	33.9	-34.7	0	0	0	110.5	M395 T490 K594	M395-P492 HydrophobicContact CB-CB 3.69Å; M395-P492 HydrophobicContact CB-CG 3.72Å; M395-P492 HydrophobicContact CG-CB 4.32Å; M395-P492 HydrophobicContact CG-CG 3.77Å; T490-P492 WeakPolarHBondContact O-CD 3.19Å; P492-K594 VanDerWaalsContact O-CE 3.23Å; P492-K594 WeakPolarHBondContact O-CE 3.35Å
493	Y	86.1	Confident	86	Confident	77 Å²	77	27.3 Å²	27.3	30%	0.302	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	140	170.3	-70.8	-89.3	0	0	0	109.8	L562 G563 Q564 A566 P593 K594	Y493-L562 WeakPolarHBondContact O-CA 3.24Å; Y493-L562 WeakPolarHBondContact O-CB 3.29Å; Y493-L562 PolarHBondContact O-N 3.38Å; Y493-G563 PolarHBondContact N-O 3.13Å; Y493-Q564 VanDerWaalsContact CD2-O 3.25Å; Y493-Q564 WeakPolarHBondContact CD2-O 3.29Å; Y493-Q564 WeakPolarHBondContact CE2-O 3.38Å; Y493-A566 HydrophobicContact CD1-CB 4.23Å; Y493-A566 HydrophobicContact CD2-CB 4.48Å; Y493-A566 HydrophobicContact CG-CB 3.91Å; Y493-P593 HydrophobicContact CD1-CB 3.55Å; Y493-P593 HydrophobicContact CD1-CG 4.45Å; Y493-P593 HydrophobicContact CE1-CB 4.32Å; Y493-P593 HydrophobicContact CG-CB 4.38Å; Y493-K594 HydrophobicContact CD1-CD 3.9Å; Y493-K594 HydrophobicContact CD1-CG 3.67Å; Y493-K594 HydrophobicContact CE1-CD 4.01Å; Y493-K594 HydrophobicContact CE1-CG 4.24Å; Y493-K594 HydrophobicContact CG-CG 4.27Å
494	F	88.7	Confident	86.1	Confident	9 Å²	9	27.8 Å²	27.8	4%	0.039	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	166.6	-178.5	70.4	-93.2	0	0	0	111.9	F76 M395 S464 K496 F560 K594	F76-F494 HydrophobicContact CE1-CZ 4.36Å; F76-F494 AromaticContact CZ-CZ 3.9Å; F76-F494 HydrophobicContact CZ-CZ 3.9Å; M395-F494 HydrophobicContact CE-CB 3.17Å; M395-F494 HydrophobicContact CE-CD1 4.37Å; M395-F494 HydrophobicContact CE-CG 3.93Å; S464-F494 WeakPolarHBondContact OG-CD2 3.3Å; S464-F494 WeakPolarHBondContact OG-CE2 3.49Å; F494-K496 HydrophobicContact CD2-CB 4.29Å; F494-K496 HydrophobicContact CE2-CB 4.24Å; F494-F560 CarbonylContact C-O 3.51Å; F494-F560 VanDerWaalsContact CA-O 3.29Å; F494-F560 WeakPolarHBondContact CA-O 3.41Å; F494-K594 HydrophobicContact CD1-CG 4.31Å; F494-K594 HydrophobicContact CE1-CB 4.27Å; F494-K594 HydrophobicContact CE1-CG 4.31Å; F494-K594 WeakPolarHBondContact O-CA 3.11Å; F494-K594 PolarHBondContact O-N 2.91Å
495	L	91.6	Very high	86.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	115.2	166	-174	66.5	0	0	0	109.4	V497 L528 F560 V569 L572 I591 I597	L495-V497 HydrophobicContact CD2-CG2 4.32Å; L495-V497 HydrophobicContact CG-CG2 4.13Å; L495-L528 HydrophobicContact CD2-CD1 4.03Å; L495-F560 HydrophobicContact CB-CB 4.47Å; L495-F560 PolarHBondContact N-O 3.18Å; L495-F560 PolarHBondContact O-N 2.72Å; L495-V569 HydrophobicContact CD2-CG1 4.28Å; L495-V569 HydrophobicContact CD2-CG2 4.36Å; L495-L572 HydrophobicContact CD2-CD1 4.41Å; L495-L572 HydrophobicContact CD2-CD2 4Å; L495-I591 HydrophobicContact CD1-CG2 3.87Å; L495-I591 HydrophobicContact CD2-CD1 4.49Å; L495-I597 HydrophobicContact CD1-CG2 4.16Å; L495-I597 HydrophobicContact CG-CG2 4.44Å
496	K	92.6	Very high	86.6	Confident	3 Å²	3	31.4 Å²	31.4	1%	0.013	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.4	176	-178.4	173.6	-177.9	172.7	0	109.5	D459 D462 F494 F557 A558 I559 A595 Q596 I597	D459-K496 IonicContact OD2-NZ 2.86Å; D459-K496 PolarHBondContact OD2-NZ 2.95Å; D462-K496 IonicContact OD1-NZ 2.83Å; D462-K496 PolarHBondContact OD1-NZ 3.19Å; F494-K496 HydrophobicContact CD2-CB 4.29Å; F494-K496 HydrophobicContact CE2-CB 4.24Å; K496-F557 HydrophobicContact CD-CD2 4.35Å; K496-F557 HydrophobicContact CG-CD2 4.15Å; K496-F557 HydrophobicContact CG-CG 4.39Å; K496-A558 CarbonylContact C-O 3.52Å; K496-A558 WeakPolarHBondContact CA-O 3.09Å; K496-I559 HydrophobicContact CB-CG1 4.35Å; K496-I559 HydrophobicContact CD-CG1 4.47Å; K496-I559 HydrophobicContact CG-CG1 4.1Å; K496-A595 PolarHBondContact N-O 3.09Å; K496-A595 VanDerWaalsContact N-O 3.07Å; K496-Q596 HydrophobicContact CB-CB 4.23Å; K496-Q596 HydrophobicContact CB-CG 4.21Å; K496-Q596 HydrophobicContact CD-CG 4.24Å; K496-Q596 HydrophobicContact CG-CG 4.13Å; K496-Q596 CarbonylContact O-C 3.56Å; K496-Q596 WeakPolarHBondContact O-CA 3.2Å; K496-I597 WeakPolarHBondContact O-CG2 3.34Å; K496-I597 PolarHBondContact O-N 2.74Å
497	V	94	Very high	86.9	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.5	-173.7	-178.9	0	0	0	0	110.2	L495 V499 F557 A558 F560 L572 I574 I597 I599	L495-V497 HydrophobicContact CD2-CG2 4.32Å; L495-V497 HydrophobicContact CG-CG2 4.13Å; V497-V499 HydrophobicContact CG1-CG2 4.31Å; V497-F557 VanDerWaalsContact O-CA 3.24Å; V497-F557 WeakPolarHBondContact O-CA 3.34Å; V497-F557 VanDerWaalsContact O-CB 3.23Å; V497-F557 WeakPolarHBondContact O-CB 3.45Å; V497-A558 PolarHBondContact N-O 2.76Å; V497-A558 PolarHBondContact O-N 2.98Å; V497-F560 HydrophobicContact CG2-CD2 4.01Å; V497-F560 HydrophobicContact CG2-CE2 3.87Å; V497-L572 HydrophobicContact CG2-CD1 4.19Å; V497-L572 HydrophobicContact CG2-CD2 3.96Å; V497-I574 HydrophobicContact CG1-CD1 3.55Å; V497-I597 HydrophobicContact CB-CG2 4.1Å; V497-I597 HydrophobicContact CG1-CG2 4.24Å; V497-I597 HydrophobicContact CG2-CG2 3.68Å; V497-I599 HydrophobicContact CG1-CD1 3.96Å
498	T	94.6	Very high	87.6	Confident	10 Å²	10	38.4 Å²	38.4	6%	0.061	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.8	173.1	-52.8	0	0	0	0	109.5	L500 I597 V598 I599	T498-L500 HydrophobicContact CG2-CD2 4.27Å; T498-I597 PolarHBondContact N-O 2.92Å; T498-V598 WeakPolarHBondContact O-CA 3.43Å; T498-I599 PolarHBondContact O-N 2.75Å
499	V	95.7	Very high	88.6	Confident	5 Å²	5	39.7 Å²	39.7	3%	0.03	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127	178.9	-175.6	0	0	0	0	108.7	V497 I524 I574 I576 I599 P601	V497-V499 HydrophobicContact CG1-CG2 4.31Å; V499-I524 HydrophobicContact CB-CG2 3.93Å; V499-I524 HydrophobicContact CG1-CD1 4.46Å; V499-I524 HydrophobicContact CG1-CG1 4.42Å; V499-I524 HydrophobicContact CG1-CG2 4.12Å; V499-I524 HydrophobicContact CG2-CG2 3.76Å; V499-I574 HydrophobicContact CG1-CG2 4.35Å; V499-I574 HydrophobicContact CG2-CG2 3.68Å; V499-I576 HydrophobicContact CG1-CG2 4.14Å; V499-I599 WeakPolarHBondContact CA-O 3.18Å; V499-I599 HydrophobicContact CG2-CB 4.49Å; V499-I599 HydrophobicContact CG2-CD1 4.31Å; V499-P601 HydrophobicContact CG1-CG 4.35Å
500	L	95.9	Very high	89.9	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.01	20%	0.197	C	C	.	.			trans	-88.9	172	178.4	-48.7	-171.9	0	0	0	111	T498 G502 L515 Y517 V598 I599 N600 P601	T498-L500 HydrophobicContact CG2-CD2 4.27Å; L500-G502 VanDerWaalsContact C-N 3.31Å; L500-G502 PolarHBondContact O-N 3.21Å; L500-L515 HydrophobicContact CD1-CB 4.04Å; L500-L515 HydrophobicContact CD1-CD2 4.13Å; L500-L515 HydrophobicContact CD1-CG 4.47Å; L500-Y517 HydrophobicContact CD1-CD1 4.35Å; L500-Y517 HydrophobicContact CD1-CE1 4.36Å; L500-Y517 HydrophobicContact CD2-CD1 4.18Å; L500-V598 HydrophobicContact CD1-CG1 4.15Å; L500-V598 HydrophobicContact CD2-CG1 3.99Å; L500-V598 HydrophobicContact CG-CG1 3.97Å; L500-I599 PolarHBondContact N-O 3.17Å; L500-N600 HydrophobicContact CD1-CB 4.08Å; L500-N600 HydrophobicContact CG-CB 4.5Å; L500-P601 WeakPolarHBondContact O-CD 3.34Å; L500-P601 WeakPolarHBondContact O-CG 3.3Å
501	N	95.3	Very high	90.7	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	19%	0.187	C	C	.	.			trans	-71.3	-17.9	-179.7	68	-4.2	0	0	0	114.6	D110 S115 M169 L503 P516 L519 V521	D110-N501 PolarHBondContact OD2-ND2 2.9Å; S115-N501 PolarHBondContact OG-ND2 3.31Å; M169-N501 HydrophobicContact CB-CB 4.46Å; M169-N501 WeakPolarHBondContact CB-O 3.44Å; M169-N501 WeakPolarHBondContact CE-O 3.43Å; M169-N501 WeakPolarHBondContact CG-O 3.19Å; N501-L503 VanDerWaalsContact C-N 3.26Å; N501-L503 HydrophobicContact CB-CG 4.29Å; N501-L503 WeakPolarHBondContact ND2-CD1 3.5Å; N501-L503 PolarHBondContact O-N 2.91Å; N501-L503 PolarHBondContact OD1-N 3.31Å; N501-P516 WeakPolarHBondContact OD1-CG 3.19Å; N501-L519 HydrophobicContact CB-CD2 3.9Å; N501-V521 HydrophobicContact CB-CG2 4.06Å
502	G	96	Very high	91.5	Very high	2 Å²	2	30 Å²	30	2%	0.021	18%	0.177	C	C	.	.			trans	69.1	16.2	177.3	0	0	0	0	0	115.6	L500 C504 N600 Y602	L500-G502 VanDerWaalsContact C-N 3.31Å; L500-G502 PolarHBondContact O-N 3.21Å; G502-C504 VanDerWaalsContact C-N 3.34Å; G502-N600 VanDerWaalsContact CA-OD1 3.31Å; G502-N600 WeakPolarHBondContact CA-OD1 3.37Å; G502-N600 PolarHBondContact N-OD1 3.01Å; G502-Y602 WeakPolarHBondContact O-CD2 3.43Å
503	L	95.7	Very high	92.3	Very high	51 Å²	51	31.3 Å²	31.3	27%	0.267	19%	0.193	S	C	.	.	S	Bend	trans	-79.6	-17.2	-179.8	-62.9	-177.6	0	0	0	113.5	G113 M169 I170 N501 L604	G113-L503 WeakPolarHBondContact O-CD1 3.44Å; M169-L503 HydrophobicContact CB-CD2 4.33Å; I170-L503 HydrophobicContact CG1-CD1 3.97Å; I170-L503 HydrophobicContact CG1-CD2 4.47Å; N501-L503 VanDerWaalsContact C-N 3.26Å; N501-L503 HydrophobicContact CB-CG 4.29Å; N501-L503 WeakPolarHBondContact ND2-CD1 3.5Å; N501-L503 PolarHBondContact O-N 2.91Å; N501-L503 PolarHBondContact OD1-N 3.31Å; L503-L604 HydrophobicContact CD2-CD1 4.44Å
504	C	94.6	Very high	92.6	Very high	9 Å²	9	31.5 Å²	31.5	6%	0.061	20%	0.196	C	C	.	.	S	Bend	trans	-136.1	147.9	176.4	52	0	0	0	0	110.8	G502 C510 N600	G502-C504 VanDerWaalsContact C-N 3.34Å; C504-C510 HydrophobicContact CB-CB 3.86Å; C504-C510 WeakPolarHBondContact CB-SG 3.2Å; C504-C510 WeakPolarHBondContact SG-CB 3.27Å; C504-C510 CovalentContact SG-SG 2.02Å; C504-C510 PolarHBondContact SG-SG 2.98Å; C504-N600 PolarHBondContact O-ND2 3.09Å
505	S	93.6	Very high	92.8	Very high	42 Å²	42	31.4 Å²	31.4	29%	0.294	20%	0.195	S	C	.	.	S	Bend	trans	-76.2	-40.4	-170.4	70.7	0	0	0	0	114	S509 N600	S505-S509 PolarHBondContact N-OG 3.19Å; S505-S509 PolarHBondContact OG-OG 3.48Å; S505-N600 PolarHBondContact O-ND2 3.48Å
506	S	92.9	Very high	92.9	Very high	43 Å²	43	31.5 Å²	31.5	30%	0.301	20%	0.196	S	C	.	.	S	Bend	trans	-152.6	166.2	-172.7	73.7	0	0	0	0	109.2	D508 S509 C510	S506-D508 PolarHBondContact O-N 3.49Å; S506-S509 PolarHBondContact N-OG 3.11Å; S506-S509 PolarHBondContact O-N 3.44Å; S506-S509 PolarHBondContact O-OG 3.44Å; S506-C510 PolarHBondContact O-N 2.98Å; S506-C510 PolarHBondContact O-SG 2.9Å
507	A	91.3	Very high	92.8	Very high	35 Å²	35	33 Å²	33	29%	0.289	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-46.6	-45.7	175.2	0	0	0	0	0	112.7	S509 C510 G513	A507-S509 PolarHBondContact O-N 3.15Å; A507-C510 PolarHBondContact O-N 2.93Å; A507-C510 VanDerWaalsContact O-N 3.09Å; A507-G513 WeakPolarHBondContact CB-O 3.49Å; A507-G513 CarbonylContact O-C 3.56Å; A507-G513 VanDerWaalsContact O-C 3.25Å; A507-G513 WeakPolarHBondContact O-CA 3.11Å
508	D	91.1	Very high	92.5	Very high	156 Å²	156	33.4 Å²	33.4	83%	0.834	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-65	-23.4	-178.4	-57.4	-33.7	0	0	0	113.8	S506	S506-D508 PolarHBondContact O-N 3.49Å
509	S	91.8	Very high	92.5	Very high	62 Å²	62	33.2 Å²	33.2	43%	0.434	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-96.3	-8.2	177.6	64.3	0	0	0	0	113.6	S505 S506 A507	S505-S509 PolarHBondContact N-OG 3.19Å; S505-S509 PolarHBondContact OG-OG 3.48Å; S506-S509 PolarHBondContact N-OG 3.11Å; S506-S509 PolarHBondContact O-N 3.44Å; S506-S509 PolarHBondContact O-OG 3.44Å; A507-S509 PolarHBondContact O-N 3.15Å
510	C	91.4	Very high	92.4	Very high	13 Å²	13	34 Å²	34	9%	0.088	21%	0.209	C	C	.	.	S	Bend	trans	-93.4	164	179.5	-58.1	0	0	0	0	111.8	C504 S506 A507 G513 K514	C504-C510 HydrophobicContact CB-CB 3.86Å; C504-C510 WeakPolarHBondContact CB-SG 3.2Å; C504-C510 WeakPolarHBondContact SG-CB 3.27Å; C504-C510 CovalentContact SG-SG 2.02Å; C504-C510 PolarHBondContact SG-SG 2.98Å; S506-C510 PolarHBondContact O-N 2.98Å; S506-C510 PolarHBondContact O-SG 2.9Å; A507-C510 PolarHBondContact O-N 2.93Å; A507-C510 VanDerWaalsContact O-N 3.09Å; C510-G513 PolarHBondContact O-N 3.16Å; C510-K514 WeakPolarHBondContact CB-O 3.33Å
511	S	84.9	Confident	92.3	Very high	33 Å²	33	34.2 Å²	34.2	23%	0.231	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-56.5	140.8	169.6	58	0	0	0	0	111.3	D114 G513 K514	D114-S511 WeakPolarHBondContact O-CB 3.36Å; D114-S511 PolarHBondContact O-OG 2.8Å; S511-G513 PolarHBondContact O-N 3.35Å; S511-K514 PolarHBondContact O-N 2.96Å; S511-K514 VanDerWaalsContact O-N 3.15Å
512	D	89.2	Confident	92.4	Very high	61 Å²	61	34.4 Å²	34.4	33%	0.326	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	56.9	15.8	179.3	-50.6	-37.1	0	0	0	116	S140 G141 R144 K514	S140-D512 WeakPolarHBondContact CB-OD1 3.23Å; G141-D512 WeakPolarHBondContact CA-OD1 3.33Å; G141-D512 VanDerWaalsContact N-CG 3.27Å; G141-D512 PolarHBondContact N-OD1 3.37Å; G141-D512 PolarHBondContact N-OD2 2.73Å; R144-D512 IonicContact CZ-OD2 2.55Å; R144-D512 IonicContact NE-OD2 3.18Å; R144-D512 PolarHBondContact NE-OD2 3.43Å; R144-D512 IonicContact NH2-OD2 3.79Å; D512-K514 VanDerWaalsContact C-N 3.28Å; D512-K514 PolarHBondContact O-N 2.67Å
513	G	91.1	Very high	92.3	Very high	44 Å²	44	34.4 Å²	34.4	45%	0.454	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	68.3	25.1	-176.3	0	0	0	0	0	113.4	A507 C510 S511	A507-G513 WeakPolarHBondContact CB-O 3.49Å; A507-G513 CarbonylContact O-C 3.56Å; A507-G513 VanDerWaalsContact O-C 3.25Å; A507-G513 WeakPolarHBondContact O-CA 3.11Å; C510-G513 PolarHBondContact O-N 3.16Å; S511-G513 PolarHBondContact O-N 3.35Å
514	K	91.7	Very high	92.3	Very high	80 Å²	80	32 Å²	32	35%	0.348	20%	0.2	S	C	.	.			trans	-131.4	136.4	-175.3	-66.8	-171.8	179.3	-169.6	0	112.2	N48 A49 C510 S511 D512	N48-K514 WeakPolarHBondContact O-CD 3.23Å; N48-K514 PolarHBondContact O-NZ 3.44Å; A49-K514 HydrophobicContact CB-CB 4.1Å; A49-K514 HydrophobicContact CB-CD 3.98Å; C510-K514 WeakPolarHBondContact CB-O 3.33Å; S511-K514 PolarHBondContact O-N 2.96Å; S511-K514 VanDerWaalsContact O-N 3.15Å; D512-K514 VanDerWaalsContact C-N 3.28Å; D512-K514 PolarHBondContact O-N 2.67Å
515	L	93.8	Very high	92.4	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.037	20%	0.204	C	C	.	.			trans	-71.2	142.8	165.2	-77.8	164.1	0	0	0	109.5	A49 L500 Y517	A49-L515 WeakPolarHBondContact CB-O 3.41Å; L500-L515 HydrophobicContact CD1-CB 4.04Å; L500-L515 HydrophobicContact CD1-CD2 4.13Å; L500-L515 HydrophobicContact CD1-CG 4.47Å; L515-Y517 HydrophobicContact CB-CD2 4.3Å; L515-Y517 HydrophobicContact CB-CE1 4.37Å; L515-Y517 HydrophobicContact CB-CE2 3.84Å; L515-Y517 VanDerWaalsContact O-CD2 3.3Å; L515-Y517 WeakPolarHBondContact O-CD2 3.4Å; L515-Y517 PolarHBondContact O-N 3.16Å
516	P	93.8	Very high	92.4	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.019	19%	0.19	C	C	.	.			trans	-78.9	66.2	-176.6	33.8	-37.4	0	0	0	111.8	S115 N501 L519	S115-P516 WeakPolarHBondContact O-CB 3.35Å; N501-P516 WeakPolarHBondContact OD1-CG 3.19Å; P516-L519 HydrophobicContact CB-CB 4.01Å; P516-L519 HydrophobicContact CB-CD2 3.86Å; P516-L519 HydrophobicContact CG-CD2 4.19Å; P516-L519 WeakPolarHBondContact O-CB 3.23Å; P516-L519 PolarHBondContact O-N 3.43Å
517	Y	91.3	Very high	92.4	Very high	34 Å²	34	30.8 Å²	30.8	13%	0.133	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	147.9	172.8	-58.1	-72.2	0	0	0	110.5	D46 R51 L500 L515 L519 V598	D46-Y517 WeakPolarHBondContact CB-O 3.34Å; R51-Y517 HydrophobicContact CB-CG 4.41Å; R51-Y517 HydrophobicContact CG-CD1 3.65Å; R51-Y517 HydrophobicContact CG-CD2 3.38Å; R51-Y517 HydrophobicContact CG-CE1 4.03Å; R51-Y517 HydrophobicContact CG-CE2 3.77Å; R51-Y517 HydrophobicContact CG-CG 3.31Å; L500-Y517 HydrophobicContact CD1-CD1 4.35Å; L500-Y517 HydrophobicContact CD1-CE1 4.36Å; L500-Y517 HydrophobicContact CD2-CD1 4.18Å; L515-Y517 HydrophobicContact CB-CD2 4.3Å; L515-Y517 HydrophobicContact CB-CE1 4.37Å; L515-Y517 HydrophobicContact CB-CE2 3.84Å; L515-Y517 VanDerWaalsContact O-CD2 3.3Å; L515-Y517 WeakPolarHBondContact O-CD2 3.4Å; L515-Y517 PolarHBondContact O-N 3.16Å; Y517-L519 PolarHBondContact O-N 2.96Å; Y517-V598 HydrophobicContact CD1-CG1 4.12Å; Y517-V598 HydrophobicContact CE1-CG1 3.95Å
518	G	87.4	Confident	92.5	Very high	8 Å²	8	29.1 Å²	29.1	8%	0.082	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	13.1	-180	0	0	0	0	0	115.7	T45 D46 T520	T45-G518 PolarHBondContact OG1-O 3.26Å; D46-G518 PolarHBondContact N-O 3.14Å; G518-T520 PolarHBondContact O-N 2.85Å
519	L	93.3	Very high	92.4	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.031	14%	0.142	C	C	.	.			trans	-68.8	125	167.6	172.5	66	0	0	0	109.4	D110 I117 N501 P516 Y517 V521	D110-L519 HydrophobicContact CB-CD1 3.91Å; D110-L519 HydrophobicContact CB-CD2 3.99Å; I117-L519 HydrophobicContact CD1-CB 3.81Å; I117-L519 HydrophobicContact CD1-CD1 3.4Å; I117-L519 HydrophobicContact CD1-CG 4.2Å; N501-L519 HydrophobicContact CB-CD2 3.9Å; P516-L519 HydrophobicContact CB-CB 4.01Å; P516-L519 HydrophobicContact CB-CD2 3.86Å; P516-L519 HydrophobicContact CG-CD2 4.19Å; P516-L519 WeakPolarHBondContact O-CB 3.23Å; P516-L519 PolarHBondContact O-N 3.43Å; Y517-L519 PolarHBondContact O-N 2.96Å; L519-V521 HydrophobicContact CD2-CG2 4.32Å; L519-V521 HydrophobicContact CG-CG2 4.15Å; L519-V521 PolarHBondContact O-N 2.93Å
520	T	93.7	Very high	92.3	Very high	21 Å²	21	20.6 Å²	20.6	13%	0.129	12%	0.124	C	C	.	.			trans	-65.6	120.7	171.2	-55.3	0	0	0	0	109.1	T108 S109 G518 S545	T108-T520 WeakPolarHBondContact O-CB 3.33Å; T108-T520 VanDerWaalsContact O-CG2 3.32Å; T108-T520 WeakPolarHBondContact O-CG2 3.38Å; T108-T520 PolarHBondContact OG1-OG1 3.34Å; S109-T520 PolarHBondContact OG-O 3.07Å; S109-T520 VanDerWaalsContact OG-O 3.11Å; G518-T520 PolarHBondContact O-N 2.85Å; T520-S545 VanDerWaalsContact CG2-CB 3.48Å; T520-S545 WeakPolarHBondContact CG2-OG 3.42Å
521	V	95.2	Very high	91.9	Very high	8 Å²	8	25.9 Å²	25.9	5%	0.048	15%	0.147	C	C	.	.			trans	-124.8	113.4	178.3	-179.1	0	0	0	0	108.3	M169 N501 L519 I524 S545	M169-V521 HydrophobicContact CE-CG1 3.64Å; M169-V521 HydrophobicContact SD-CG1 4.44Å; N501-V521 HydrophobicContact CB-CG2 4.06Å; L519-V521 HydrophobicContact CD2-CG2 4.32Å; L519-V521 HydrophobicContact CG-CG2 4.15Å; L519-V521 PolarHBondContact O-N 2.93Å; V521-I524 HydrophobicContact CB-CG1 4.22Å; V521-I524 HydrophobicContact CG1-CD1 3.82Å; V521-I524 HydrophobicContact CG1-CG1 3.97Å; V521-S545 WeakPolarHBondContact O-CB 3.46Å
522	P	95.6	Very high	91.4	Very high	4 Å²	4	25 Å²	25	3%	0.026	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	148.7	-175.9	30.8	-35.7	0	0	0	112.5	V162 C163 D164 F210	V162-P522 HydrophobicContact CG1-CG 4.29Å; C163-P522 VanDerWaalsContact C-CG 3.46Å; C163-P522 WeakPolarHBondContact O-CG 3.14Å; D164-P522 HydrophobicContact CB-CG 4.29Å; F210-P522 HydrophobicContact CD1-CB 4.06Å
523	G	94.9	Very high	90.5	Very high	3 Å²	3	25.8 Å²	25.8	3%	0.031	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	16.9	170	0	0	0	0	0	115.7	P219	P219-G523 WeakPolarHBondContact CG-O 3.38Å
524	I	96.1	Very high	89.5	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	133.9	174.5	-52.6	-47.2	0	0	0	109.9	M169 V499 V521 L543 L544 I576	M169-I524 HydrophobicContact CE-CD1 4.02Å; M169-I524 HydrophobicContact SD-CD1 4.45Å; V499-I524 HydrophobicContact CB-CG2 3.93Å; V499-I524 HydrophobicContact CG1-CD1 4.46Å; V499-I524 HydrophobicContact CG1-CG1 4.42Å; V499-I524 HydrophobicContact CG1-CG2 4.12Å; V499-I524 HydrophobicContact CG2-CG2 3.76Å; V521-I524 HydrophobicContact CB-CG1 4.22Å; V521-I524 HydrophobicContact CG1-CD1 3.82Å; V521-I524 HydrophobicContact CG1-CG1 3.97Å; I524-L543 WeakPolarHBondContact O-CA 3.47Å; I524-L544 HydrophobicContact CB-CB 4.18Å; I524-L544 HydrophobicContact CG2-CD1 4.29Å; I524-L544 HydrophobicContact CG2-CD2 4.47Å; I524-L544 PolarHBondContact O-N 2.75Å; I524-I576 HydrophobicContact CD1-CB 3.86Å; I524-I576 HydrophobicContact CD1-CG2 3.7Å
525	S	95.7	Very high	88.6	Confident	20 Å²	20	27.2 Å²	27.2	14%	0.14	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.5	170.4	70.7	0	0	0	0	111.5	S575	S525-S575 PolarHBondContact N-O 2.81Å; S525-S575 PolarHBondContact O-N 2.81Å; S525-S575 WeakPolarHBondContact OG-CB 3.17Å
526	S	94.5	Very high	87.7	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.3	176.3	60.8	0	0	0	0	109.5	A541 A542 F560 T573	S526-A541 CarbonylContact O-C 3.59Å; S526-A541 VanDerWaalsContact O-CA 3.3Å; S526-A541 WeakPolarHBondContact O-CA 3.35Å; S526-A542 PolarHBondContact N-O 2.98Å; S526-A542 PolarHBondContact O-N 3.04Å; S526-A542 PolarHBondContact OG-O 3.39Å; S526-A542 VanDerWaalsContact OG-O 3.1Å; S526-F560 WeakPolarHBondContact OG-CZ 3.21Å; S526-T573 CarbonylContact C-O 3.58Å; S526-T573 WeakPolarHBondContact CA-O 3.35Å
527	N	93.4	Very high	87	Confident	47 Å²	47	35.8 Å²	35.8	25%	0.251	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.1	179.4	-176.1	-75.6	0	0	0	110	G281 S540 L572 T573	G281-N527 PolarHBondContact O-ND2 2.8Å; N527-S540 CarbonylContact C-O 3.59Å; N527-S540 WeakPolarHBondContact CA-O 3.5Å; N527-L572 CarbonylContact O-C 3.38Å; N527-L572 WeakPolarHBondContact O-CA 3.47Å; N527-T573 PolarHBondContact N-O 3.28Å; N527-T573 PolarHBondContact O-N 2.82Å
528	L	92	Very high	86.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130	175.8	-175.8	76.1	0	0	0	109.2	L495 T530 L539 S540 F560 L562 V569	L495-L528 HydrophobicContact CD2-CD1 4.03Å; L528-T530 HydrophobicContact CD2-CG2 4.35Å; L528-T530 HydrophobicContact CG-CG2 4.47Å; L528-L539 WeakPolarHBondContact O-CA 3.2Å; L528-S540 PolarHBondContact N-O 2.74Å; L528-S540 PolarHBondContact O-N 3.49Å; L528-F560 HydrophobicContact CB-CD1 4.01Å; L528-F560 HydrophobicContact CB-CE1 4.03Å; L528-F560 HydrophobicContact CB-CG 4.32Å; L528-F560 HydrophobicContact CB-CZ 4.36Å; L528-F560 HydrophobicContact CD2-CB 3.84Å; L528-F560 HydrophobicContact CD2-CD1 4.06Å; L528-F560 HydrophobicContact CD2-CG 3.99Å; L528-L562 HydrophobicContact CD2-CD2 3.7Å; L528-V569 HydrophobicContact CD1-CB 4.38Å; L528-V569 HydrophobicContact CD1-CG1 3.28Å; L528-V569 HydrophobicContact CD1-CG2 4.22Å
529	N	90	Very high	86.5	Confident	31 Å²	31	38.3 Å²	38.3	17%	0.166	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	113.8	172.2	-179.2	-10.6	0	0	0	108.8	R537 H538 L539 E570 K571	N529-R537 PolarHBondContact ND2-NH1 2.93Å; N529-R537 PolarHBondContact OD1-NH1 2.91Å; N529-H538 VanDerWaalsContact CA-O 3.32Å; N529-H538 WeakPolarHBondContact CA-O 3.45Å; N529-L539 HydrophobicContact CB-CD2 3.74Å; N529-L539 WeakPolarHBondContact ND2-CD2 3.31Å; N529-L539 WeakPolarHBondContact OD1-CD2 3.2Å; N529-E570 WeakPolarHBondContact O-CB 3.24Å; N529-K571 HydrophobicContact CB-CB 4.12Å; N529-K571 PolarHBondContact N-O 3.09Å; N529-K571 PolarHBondContact O-N 3.09Å
530	T	88.7	Confident	86.4	Confident	8 Å²	8	38.2 Å²	38.2	5%	0.049	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	167.6	-176	-163.4	0	0	0	0	112	L528 R537 H538 L562 Y568 E570	L528-T530 HydrophobicContact CD2-CG2 4.35Å; L528-T530 HydrophobicContact CG-CG2 4.47Å; T530-R537 CarbonylContact O-C 3.35Å; T530-R537 WeakPolarHBondContact O-CA 3.23Å; T530-H538 HydrophobicContact CG2-CB 3.85Å; T530-H538 PolarHBondContact N-O 2.65Å; T530-H538 PolarHBondContact O-N 2.73Å; T530-L562 HydrophobicContact CG2-CD2 4.49Å; T530-Y568 PolarHBondContact OG1-O 3.17Å; T530-E570 PolarHBondContact OG1-N 3.41Å
531	E	83.4	Confident	86.3	Confident	124 Å²	124	37.6 Å²	37.6	58%	0.579	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	138.2	176.2	-169.5	170.4	-169.6	0	0	111.5	G536	E531-G536 WeakPolarHBondContact CA-O 3.35Å
532	A	75.6	Confident	86.3	Confident	13 Å²	13	37.7 Å²	37.7	11%	0.107	24%	0.241	C	C	.	.			trans	-71.2	147.1	174.7	0	0	0	0	0	112.2	A534 G535 G536 H538	A532-A534 PolarHBondContact O-N 2.95Å; A532-G535 WeakPolarHBondContact CB-O 3.31Å; A532-G535 PolarHBondContact O-N 2.88Å; A532-G536 PolarHBondContact N-O 3.3Å; A532-H538 WeakPolarHBondContact CA-CD2 3.36Å; A532-H538 WeakPolarHBondContact CA-NE2 2.83Å; A532-H538 WeakPolarHBondContact CB-CD2 3.49Å; A532-H538 WeakPolarHBondContact CB-NE2 3.33Å; A532-H538 PolarHBondContact N-CD2 2.9Å
533	A	68.8	Low	86.3	Confident	78 Å²	78	38.4 Å²	38.4	65%	0.645	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.7	164.8	0	0	0	0	0	112.5	G535 F565	A533-G535 VanDerWaalsContact C-N 3.26Å; A533-G535 PolarHBondContact O-N 3.14Å; A533-F565 HydrophobicContact CB-CB 4.04Å
534	A	70.3	Confident	86.2	Confident	107 Å²	107	38.6 Å²	38.6	88%	0.884	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-0.7	177.3	0	0	0	0	0	114.1	A532	A532-A534 PolarHBondContact O-N 2.95Å
535	G	72.3	Confident	85.9	Confident	47 Å²	47	39 Å²	39	49%	0.485	25%	0.248	S	C	.	.	S	Bend	trans	85.7	151.3	-169.5	0	0	0	0	0	113.9	A532 A533	A532-G535 WeakPolarHBondContact CB-O 3.31Å; A532-G535 PolarHBondContact O-N 2.88Å; A533-G535 VanDerWaalsContact C-N 3.26Å; A533-G535 PolarHBondContact O-N 3.14Å
536	G	75.3	Confident	85.9	Confident	49 Å²	49	38.1 Å²	38.1	51%	0.505	24%	0.242	S	C	.	.	S	Bend	trans	96.5	177.6	-172.8	0	0	0	0	0	113	E531 A532	E531-G536 WeakPolarHBondContact CA-O 3.35Å; A532-G536 PolarHBondContact N-O 3.3Å
537	R	80.3	Confident	85.9	Confident	142 Å²	142	38.8 Å²	38.8	54%	0.536	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133	177.1	-74.5	-171	175.9	-99.8	-9.1	110.7	N529 T530 E570	N529-R537 PolarHBondContact ND2-NH1 2.93Å; N529-R537 PolarHBondContact OD1-NH1 2.91Å; T530-R537 CarbonylContact O-C 3.35Å; T530-R537 WeakPolarHBondContact O-CA 3.23Å; R537-E570 IonicContact CZ-OE2 3.56Å; R537-E570 IonicContact NH1-OE1 3.28Å; R537-E570 IonicContact NH1-OE2 3.9Å; R537-E570 PolarHBondContact NH1-OE2 2.81Å; R537-E570 IonicContact NH2-OE1 2.69Å; R537-E570 IonicContact NH2-OE2 3.53Å; R537-E570 PolarHBondContact NH2-OE2 3.25Å
538	H	80	Confident	85.9	Confident	42 Å²	42	37.3 Å²	37.3	19%	0.194	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.9	159.9	-74.9	-129.7	0	0	0	107.3	Y279 N529 T530 A532	Y279-H538 HydrophobicContact CE1-CB 4.11Å; Y279-H538 AromaticContact CE1-CG 3.88Å; Y279-H538 AromaticContact CE1-ND1 3.48Å; Y279-H538 WeakPolarHBondContact CE1-ND1 3.25Å; Y279-H538 AromaticContact CZ-ND1 3.63Å; Y279-H538 PolarHBondContact OH-ND1 2.78Å; N529-H538 VanDerWaalsContact CA-O 3.32Å; N529-H538 WeakPolarHBondContact CA-O 3.45Å; T530-H538 HydrophobicContact CG2-CB 3.85Å; T530-H538 PolarHBondContact N-O 2.65Å; T530-H538 PolarHBondContact O-N 2.73Å; A532-H538 WeakPolarHBondContact CA-CD2 3.36Å; A532-H538 WeakPolarHBondContact CA-NE2 2.83Å; A532-H538 WeakPolarHBondContact CB-CD2 3.49Å; A532-H538 WeakPolarHBondContact CB-NE2 3.33Å; A532-H538 PolarHBondContact N-CD2 2.9Å
539	L	86.8	Confident	85.8	Confident	53 Å²	53	37.4 Å²	37.4	28%	0.277	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131	167.6	-59.6	176.7	0	0	0	105.8	Y279 D280 L528 N529	Y279-L539 CarbonylContact C-O 3.58Å; Y279-L539 WeakPolarHBondContact CD2-O 3.42Å; D280-L539 WeakPolarHBondContact O-CD1 3.19Å; L528-L539 WeakPolarHBondContact O-CA 3.2Å; N529-L539 HydrophobicContact CB-CD2 3.74Å; N529-L539 WeakPolarHBondContact ND2-CD2 3.31Å; N529-L539 WeakPolarHBondContact OD1-CD2 3.2Å
540	S	91.2	Very high	85.6	Confident	4 Å²	4	36.1 Å²	36.1	3%	0.028	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	136.1	176.8	-172	0	0	0	0	108.8	D276 N527 L528 F560	D276-S540 WeakPolarHBondContact OD2-CA 3.47Å; N527-S540 CarbonylContact C-O 3.59Å; N527-S540 WeakPolarHBondContact CA-O 3.5Å; L528-S540 PolarHBondContact N-O 2.74Å; L528-S540 PolarHBondContact O-N 3.49Å; S540-F560 WeakPolarHBondContact OG-CD1 3.44Å; S540-F560 WeakPolarHBondContact OG-CE1 3.46Å
541	A	93.1	Very high	85.4	Confident	8 Å²	8	37 Å²	37	7%	0.066	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	146	171.7	0	0	0	0	0	111.1	N275 D276 G281 I283 S526	N275-A541 PolarHBondContact OD1-O 3.47Å; D276-A541 HydrophobicContact CB-CB 4.19Å; D276-A541 WeakPolarHBondContact CB-O 3.43Å; D276-A541 PolarHBondContact OD2-N 3.5Å; D276-A541 VanDerWaalsContact OD2-N 3.11Å; G281-A541 WeakPolarHBondContact O-CB 3.26Å; I283-A541 HydrophobicContact CD1-CB 3.75Å; S526-A541 CarbonylContact O-C 3.59Å; S526-A541 VanDerWaalsContact O-CA 3.3Å; S526-A541 WeakPolarHBondContact O-CA 3.35Å
542	A	94.7	Very high	85.5	Confident	10 Å²	10	31.9 Å²	31.9	8%	0.083	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	141.5	173.8	0	0	0	0	0	110.5	S526 A558 F560	S526-A542 PolarHBondContact N-O 2.98Å; S526-A542 PolarHBondContact O-N 3.04Å; S526-A542 PolarHBondContact OG-O 3.39Å; S526-A542 VanDerWaalsContact OG-O 3.1Å; A542-A558 HydrophobicContact CB-CB 3.86Å; A542-F560 HydrophobicContact CB-CE1 4.2Å; A542-F560 HydrophobicContact CB-CZ 3.94Å
543	L	95.6	Very high	86.2	Confident	19 Å²	19	32.2 Å²	32.2	10%	0.099	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.1	171.9	-62.5	173.4	0	0	0	109.1	L274 I283 I524	L274-L543 HydrophobicContact CB-CD1 3.9Å; L274-L543 HydrophobicContact CD1-CD1 3.95Å; I283-L543 HydrophobicContact CD1-CD1 4.24Å; I283-L543 HydrophobicContact CD1-CD2 4.44Å; I283-L543 HydrophobicContact CD1-CG 3.85Å; I283-L543 HydrophobicContact CG1-CD1 4.07Å; I283-L543 HydrophobicContact CG1-CD2 4.34Å; I283-L543 HydrophobicContact CG1-CG 4.04Å; I283-L543 HydrophobicContact CG2-CD1 3.86Å; I524-L543 WeakPolarHBondContact O-CA 3.47Å
544	L	93	Very high	87.2	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139.9	175.6	-66.3	66.9	0	0	0	109.3	I524 S546 A558	I524-L544 HydrophobicContact CB-CB 4.18Å; I524-L544 HydrophobicContact CG2-CD1 4.29Å; I524-L544 HydrophobicContact CG2-CD2 4.47Å; I524-L544 PolarHBondContact O-N 2.75Å; L544-S546 PolarHBondContact O-N 2.96Å; L544-S546 VanDerWaalsContact O-N 3.1Å; L544-A558 HydrophobicContact CD1-CB 4.08Å
545	S	90.2	Very high	88.1	Confident	11 Å²	11	27.4 Å²	27.4	8%	0.077	17%	0.165	C	C	.	.	S	Bend	trans	53.1	35.3	172.7	-54.5	0	0	0	0	114.2	T520 V521 Q547	T520-S545 VanDerWaalsContact CG2-CB 3.48Å; T520-S545 WeakPolarHBondContact CG2-OG 3.42Å; V521-S545 WeakPolarHBondContact O-CB 3.46Å; S545-Q547 PolarHBondContact O-N 2.66Å
546	S	94.1	Very high	89	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.007	14%	0.143	C	C	.	.			trans	-68.5	-19.2	-177	59.1	0	0	0	0	114.1	A209 F210 L544 Q554	A209-S546 CarbonylContact C-O 3.54Å; A209-S546 WeakPolarHBondContact CA-O 3.08Å; A209-S546 WeakPolarHBondContact CB-O 3.34Å; F210-S546 PolarHBondContact N-O 3.09Å; F210-S546 VanDerWaalsContact O-CA 3.31Å; F210-S546 WeakPolarHBondContact O-CA 3.4Å; L544-S546 PolarHBondContact O-N 2.96Å; L544-S546 VanDerWaalsContact O-N 3.1Å; S546-Q554 PolarHBondContact OG-NE2 2.86Å; S546-Q554 VanDerWaalsContact OG-NE2 3.13Å; S546-Q554 PolarHBondContact OG-OE1 3.11Å
547	Q	95.3	Very high	89.7	Confident	15 Å²	15	23.8 Å²	23.8	7%	0.07	12%	0.123	C	C	.	.			trans	-136.4	138.5	-172	-61.6	-176.6	39.3	0	0	112.2	A209 F272 S545 A552	A209-Q547 HydrophobicContact CB-CG 3.83Å; F272-Q547 PolarHBondContact O-NE2 3.16Å; F272-Q547 PolarHBondContact O-OE1 2.87Å; S545-Q547 PolarHBondContact O-N 2.66Å; Q547-A552 HydrophobicContact CB-CB 3.93Å
548	S	93	Very high	90.3	Very high	15 Å²	15	17.5 Å²	17.5	11%	0.105	10%	0.101	C	C	.	.			trans	-118	-7.3	178.5	57.9	0	0	0	0	113.9	Q159 P160 L161 V162	Q159-S548 PolarHBondContact NE2-O 2.64Å; P160-S548 PolarHBondContact O-OG 3.06Å; P160-S548 VanDerWaalsContact O-OG 3.13Å; L161-S548 WeakPolarHBondContact CA-OG 3.5Å; V162-S548 PolarHBondContact N-OG 3.39Å
549	C	90.4	Very high	90.8	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.014	10%	0.098	C	C	.	.	S	Bend	trans	-85	154.7	-176.4	-169.1	0	0	0	0	113.7	Q159 G206 S551 A552	Q159-C549 VanDerWaalsContact CD-SG 3.51Å; Q159-C549 HydrophobicContact CG-CB 4.08Å; Q159-C549 PolarHBondContact OE1-SG 3.21Å; G206-C549 WeakPolarHBondContact O-CB 3.4Å; G206-C549 PolarHBondContact O-SG 2.75Å; C549-S551 VanDerWaalsContact C-N 3.33Å; C549-S551 PolarHBondContact O-N 3.22Å; C549-S551 VanDerWaalsContact O-N 3.16Å; C549-A552 WeakPolarHBondContact O-CB 3.47Å; C549-A552 PolarHBondContact O-N 3.29Å
550	C	85.3	Confident	91	Very high	4 Å²	4	14.5 Å²	14.5	3%	0.027	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	30.9	144	-51.8	0	0	0	0	115.1	L205 Y207 L381 T382 S383 A552	L205-C550 PolarHBondContact O-SG 2.93Å; Y207-C550 HydrophobicContact CD1-CB 4.45Å; Y207-C550 WeakPolarHBondContact CD1-SG 3.09Å; Y207-C550 HydrophobicContact CE1-CB 4.17Å; Y207-C550 WeakPolarHBondContact CE1-SG 3.28Å; L381-C550 CarbonylContact O-C 3.53Å; T382-C550 WeakPolarHBondContact CA-O 3.43Å; S383-C550 PolarHBondContact N-O 2.92Å; C550-A552 VanDerWaalsContact C-N 3.3Å; C550-A552 PolarHBondContact O-N 3.38Å
551	S	84.4	Confident	91	Very high	26 Å²	26	14.3 Å²	14.3	18%	0.182	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	45.3	-171.2	-62	0	0	0	0	112.5	L381 Q454 C549 L553	L381-S551 PolarHBondContact O-OG 2.88Å; Q454-S551 VanDerWaalsContact NE2-CB 3.31Å; Q454-S551 PolarHBondContact NE2-OG 2.8Å; C549-S551 VanDerWaalsContact C-N 3.33Å; C549-S551 PolarHBondContact O-N 3.22Å; C549-S551 VanDerWaalsContact O-N 3.16Å; S551-L553 VanDerWaalsContact O-CG 3.27Å; S551-L553 WeakPolarHBondContact O-CG 3.39Å; S551-L553 PolarHBondContact O-N 3.49Å; S551-L553 VanDerWaalsContact O-N 3.15Å
552	A	85.8	Confident	90.7	Very high	18 Å²	18	14.7 Å²	14.7	15%	0.149	9%	0.086	C	C	.	.			trans	-54.4	-28.9	170.2	0	0	0	0	0	112.3	L271 Q547 C549 C550 Q554	L271-A552 HydrophobicContact CD2-CB 4.1Å; Q547-A552 HydrophobicContact CB-CB 3.93Å; C549-A552 WeakPolarHBondContact O-CB 3.47Å; C549-A552 PolarHBondContact O-N 3.29Å; C550-A552 VanDerWaalsContact C-N 3.3Å; C550-A552 PolarHBondContact O-N 3.38Å; A552-Q554 HydrophobicContact CB-CG 4.26Å; A552-Q554 PolarHBondContact O-N 2.91Å; A552-Q554 VanDerWaalsContact O-N 3.09Å
553	L	90.6	Very high	90	Very high	19 Å²	19	15.2 Å²	15.2	10%	0.099	9%	0.092	C	C	.	.			trans	49.8	40.6	170.1	-65.1	170.5	0	0	0	112.9	L41 F44 A456 S551	L41-L553 HydrophobicContact CB-CD1 3.77Å; L41-L553 HydrophobicContact CB-CD2 3.94Å; L41-L553 HydrophobicContact CD1-CD1 4.23Å; F44-L553 HydrophobicContact CD2-CB 4.34Å; F44-L553 WeakPolarHBondContact CD2-O 3.47Å; F44-L553 HydrophobicContact CE2-CB 3.87Å; F44-L553 HydrophobicContact CE2-CD2 4.37Å; F44-L553 WeakPolarHBondContact CE2-O 3.3Å; A456-L553 HydrophobicContact CB-CB 3.73Å; A456-L553 HydrophobicContact CB-CD1 3.76Å; A456-L553 HydrophobicContact CB-CG 4.37Å; S551-L553 VanDerWaalsContact O-CG 3.27Å; S551-L553 WeakPolarHBondContact O-CG 3.39Å; S551-L553 PolarHBondContact O-N 3.49Å; S551-L553 VanDerWaalsContact O-N 3.15Å
554	Q	90	Very high	89.1	Confident	56 Å²	56	19.7 Å²	19.7	26%	0.262	11%	0.112	S	C	.	.			trans	-71.5	138.7	177.8	-59.1	-168.6	-55.2	0	0	110.2	S546 A552	S546-Q554 PolarHBondContact OG-NE2 2.86Å; S546-Q554 VanDerWaalsContact OG-NE2 3.13Å; S546-Q554 PolarHBondContact OG-OE1 3.11Å; A552-Q554 HydrophobicContact CB-CG 4.26Å; A552-Q554 PolarHBondContact O-N 2.91Å; A552-Q554 VanDerWaalsContact O-N 3.09Å
555	V	89.6	Confident	88.1	Confident	29 Å²	29	26.1 Å²	26.1	18%	0.176	14%	0.14	C	C	.	.			trans	-77.8	144	166.6	-70.4	0	0	0	0	109.7	F44 F458 F557	F44-V555 HydrophobicContact CD2-CG1 4.32Å; F458-V555 HydrophobicContact CD2-CG1 4.38Å; V555-F557 HydrophobicContact CB-CD1 4.26Å; V555-F557 HydrophobicContact CB-CD2 4.41Å; V555-F557 HydrophobicContact CB-CE1 3.88Å; V555-F557 HydrophobicContact CB-CE2 4.01Å; V555-F557 HydrophobicContact CB-CZ 3.73Å; V555-F557 HydrophobicContact CG1-CE1 4.34Å; V555-F557 HydrophobicContact CG1-CZ 4.02Å; V555-F557 HydrophobicContact CG2-CD2 3.99Å; V555-F557 HydrophobicContact CG2-CE1 4.43Å; V555-F557 HydrophobicContact CG2-CE2 3.66Å; V555-F557 HydrophobicContact CG2-CG 4.49Å; V555-F557 HydrophobicContact CG2-CZ 3.9Å; V555-F557 PolarHBondContact O-N 3.41Å
556	P	89.5	Confident	87.3	Confident	4 Å²	4	26.4 Å²	26.4	3%	0.026	14%	0.143	C	C	.	.	S	Bend	trans	-80.8	29.6	-175.2	34.9	-37.9	0	0	0	113.2	M53	M53-P556 HydrophobicContact CE-CG 3.53Å; M53-P556 HydrophobicContact SD-CG 3.5Å; M53-P556 WeakPolarHBondContact SD-CG 3.27Å
557	F	91.5	Very high	86.4	Confident	16 Å²	16	33.8 Å²	33.8	7%	0.07	18%	0.182	C	C	.	.	S	Bend	trans	-147	157.8	178.7	55.4	-105.6	0	0	0	110.1	M53 D459 K496 V497 V555 I559	M53-F557 HydrophobicContact CG-CE1 3.91Å; M53-F557 HydrophobicContact SD-CE1 4.44Å; D459-F557 HydrophobicContact CB-CZ 3.99Å; K496-F557 HydrophobicContact CD-CD2 4.35Å; K496-F557 HydrophobicContact CG-CD2 4.15Å; K496-F557 HydrophobicContact CG-CG 4.39Å; V497-F557 VanDerWaalsContact O-CA 3.24Å; V497-F557 WeakPolarHBondContact O-CA 3.34Å; V497-F557 VanDerWaalsContact O-CB 3.23Å; V497-F557 WeakPolarHBondContact O-CB 3.45Å; V555-F557 HydrophobicContact CB-CD1 4.26Å; V555-F557 HydrophobicContact CB-CD2 4.41Å; V555-F557 HydrophobicContact CB-CE1 3.88Å; V555-F557 HydrophobicContact CB-CE2 4.01Å; V555-F557 HydrophobicContact CB-CZ 3.73Å; V555-F557 HydrophobicContact CG1-CE1 4.34Å; V555-F557 HydrophobicContact CG1-CZ 4.02Å; V555-F557 HydrophobicContact CG2-CD2 3.99Å; V555-F557 HydrophobicContact CG2-CE1 4.43Å; V555-F557 HydrophobicContact CG2-CE2 3.66Å; V555-F557 HydrophobicContact CG2-CG 4.49Å; V555-F557 HydrophobicContact CG2-CZ 3.9Å; V555-F557 PolarHBondContact O-N 3.41Å; F557-I559 HydrophobicContact CD2-CD1 4.19Å; F557-I559 HydrophobicContact CD2-CG1 3.9Å; F557-I559 HydrophobicContact CE2-CD1 3.63Å; F557-I559 HydrophobicContact CE2-CG1 3.87Å
558	A	91.9	Very high	85.7	Confident	10 Å²	10	37.7 Å²	37.7	8%	0.083	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139	170.7	0	0	0	0	0	109.8	K496 V497 A542 L544 F560	K496-A558 CarbonylContact C-O 3.52Å; K496-A558 WeakPolarHBondContact CA-O 3.09Å; V497-A558 PolarHBondContact N-O 2.76Å; V497-A558 PolarHBondContact O-N 2.98Å; A542-A558 HydrophobicContact CB-CB 3.86Å; L544-A558 HydrophobicContact CD1-CB 4.08Å; A558-F560 HydrophobicContact CB-CE2 4.1Å; A558-F560 HydrophobicContact CB-CZ 4.45Å
559	I	91.6	Very high	85.3	Confident	26 Å²	26	37 Å²	37	13%	0.133	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.3	169.7	-65.2	171.6	0	0	0	107	M395 L466 K496 F557	M395-I559 HydrophobicContact CE-CG2 3.59Å; M395-I559 HydrophobicContact SD-CG2 3.87Å; L466-I559 HydrophobicContact CD2-CD1 3.99Å; K496-I559 HydrophobicContact CB-CG1 4.35Å; K496-I559 HydrophobicContact CD-CG1 4.47Å; K496-I559 HydrophobicContact CG-CG1 4.1Å; F557-I559 HydrophobicContact CD2-CD1 4.19Å; F557-I559 HydrophobicContact CD2-CG1 3.9Å; F557-I559 HydrophobicContact CE2-CD1 3.63Å; F557-I559 HydrophobicContact CE2-CG1 3.87Å
560	F	91	Very high	85.2	Confident	6 Å²	6	38.6 Å²	38.6	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.1	169.1	-62.3	-82.5	0	0	0	108.8	F494 L495 V497 S526 L528 S540 A542 A558 L572	F494-F560 CarbonylContact C-O 3.51Å; F494-F560 VanDerWaalsContact CA-O 3.29Å; F494-F560 WeakPolarHBondContact CA-O 3.41Å; L495-F560 HydrophobicContact CB-CB 4.47Å; L495-F560 PolarHBondContact N-O 3.18Å; L495-F560 PolarHBondContact O-N 2.72Å; V497-F560 HydrophobicContact CG2-CD2 4.01Å; V497-F560 HydrophobicContact CG2-CE2 3.87Å; S526-F560 WeakPolarHBondContact OG-CZ 3.21Å; L528-F560 HydrophobicContact CB-CD1 4.01Å; L528-F560 HydrophobicContact CB-CE1 4.03Å; L528-F560 HydrophobicContact CB-CG 4.32Å; L528-F560 HydrophobicContact CB-CZ 4.36Å; L528-F560 HydrophobicContact CD2-CB 3.84Å; L528-F560 HydrophobicContact CD2-CD1 4.06Å; L528-F560 HydrophobicContact CD2-CG 3.99Å; S540-F560 WeakPolarHBondContact OG-CD1 3.44Å; S540-F560 WeakPolarHBondContact OG-CE1 3.46Å; A542-F560 HydrophobicContact CB-CE1 4.2Å; A542-F560 HydrophobicContact CB-CZ 3.94Å; A558-F560 HydrophobicContact CB-CE2 4.1Å; A558-F560 HydrophobicContact CB-CZ 4.45Å; F560-L572 HydrophobicContact CE2-CD1 4.37Å
561	G	89.8	Confident	85.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	138.3	165.5	0	0	0	0	0	110.8	D392 M395 G397	D392-G561 WeakPolarHBondContact OD2-CA 3.37Å; D392-G561 PolarHBondContact OD2-N 3.05Å; M395-G561 CarbonylContact O-C 3.49Å; M395-G561 WeakPolarHBondContact O-CA 3.29Å; G397-G561 WeakPolarHBondContact CA-O 3.32Å; G397-G561 PolarHBondContact N-O 2.87Å
562	L	87.4	Confident	86.1	Confident	16 Å²	16	40.2 Å²	40.2	8%	0.084	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	6	177.2	-54	172.6	0	0	0	111.2	Y493 L528 T530 A566 V569 P593	Y493-L562 WeakPolarHBondContact O-CA 3.24Å; Y493-L562 WeakPolarHBondContact O-CB 3.29Å; Y493-L562 PolarHBondContact O-N 3.38Å; L528-L562 HydrophobicContact CD2-CD2 3.7Å; T530-L562 HydrophobicContact CG2-CD2 4.49Å; L562-A566 HydrophobicContact CB-CB 3.81Å; L562-A566 HydrophobicContact CD1-CB 4.06Å; L562-V569 HydrophobicContact CD1-CG2 3.73Å; L562-V569 HydrophobicContact CD2-CG2 4.21Å; L562-P593 HydrophobicContact CD1-CB 3.94Å; L562-P593 HydrophobicContact CD1-CG 4.3Å
563	G	81.1	Confident	86.5	Confident	20 Å²	20	41.3 Å²	41.3	21%	0.206	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.2	-157.8	-176.7	0	0	0	0	0	113.8	M395 Y493	M395-G563 WeakPolarHBondContact O-CA 3.39Å; M395-G563 PolarHBondContact O-N 3.01Å; Y493-G563 PolarHBondContact N-O 3.13Å
564	Q	75.6	Confident	86.7	Confident	113 Å²	113	40.4 Å²	40.4	53%	0.528	20%	0.203	S	C	.	.	S	Bend	trans	-79.3	-18.9	-173.3	-66.9	-177.7	1.6	0	0	114.3	Y493	Y493-Q564 VanDerWaalsContact CD2-O 3.25Å; Y493-Q564 WeakPolarHBondContact CD2-O 3.29Å; Y493-Q564 WeakPolarHBondContact CE2-O 3.38Å
565	F	71.3	Confident	87	Confident	142 Å²	142	38.3 Å²	38.3	62%	0.623	19%	0.194	S	C	*	.			trans	-138.4	113.2	-175.2	-58.2	-75.9	0	0	0	110	A533	A533-F565 HydrophobicContact CB-CB 4.04Å
566	A	74.1	Confident	87.3	Confident	17 Å²	17	37 Å²	37	14%	0.14	19%	0.187	C	C	.	.			trans	-141.4	121.7	170.7	0	0	0	0	0	109.8	Y493 L562 P593	Y493-A566 HydrophobicContact CD1-CB 4.23Å; Y493-A566 HydrophobicContact CD2-CB 4.48Å; Y493-A566 HydrophobicContact CG-CB 3.91Å; L562-A566 HydrophobicContact CB-CB 3.81Å; L562-A566 HydrophobicContact CD1-CB 4.06Å; A566-P593 HydrophobicContact CB-CB 4.23Å; A566-P593 HydrophobicContact CB-CG 3.95Å
567	N	74.7	Confident	87.6	Confident	155 Å²	155	36.8 Å²	36.8	83%	0.829	19%	0.185	S	C	*	.	S	Bend	trans	-81.4	-46.6	178.4	-69.4	-34.7	0	0	0	111.4
568	Y	81.4	Confident	87.8	Confident	97 Å²	97	36.2 Å²	36.2	38%	0.38	18%	0.183	S	C	.	.			trans	-157.3	161.1	176.9	65.7	-82	0	0	0	109.5	T530 E570 F590	T530-Y568 PolarHBondContact OG1-O 3.17Å; Y568-E570 HydrophobicContact CE2-CB 4.01Å; Y568-E570 HydrophobicContact CE2-CG 4.37Å; Y568-F590 AromaticContact CD2-CD1 3.83Å; Y568-F590 HydrophobicContact CD2-CD1 3.83Å; Y568-F590 HydrophobicContact CD2-CE1 4.39Å; Y568-F590 AromaticContact CE2-CD1 3.9Å; Y568-F590 HydrophobicContact CE2-CD1 3.9Å; Y568-F590 AromaticContact CE2-CE1 4Å; Y568-F590 HydrophobicContact CE2-CE1 4Å
569	V	85.1	Confident	87.9	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	118.4	167.6	164.8	0	0	0	0	108.5	L495 L528 L562 F590 I591	L495-V569 HydrophobicContact CD2-CG1 4.28Å; L495-V569 HydrophobicContact CD2-CG2 4.36Å; L528-V569 HydrophobicContact CD1-CB 4.38Å; L528-V569 HydrophobicContact CD1-CG1 3.28Å; L528-V569 HydrophobicContact CD1-CG2 4.22Å; L562-V569 HydrophobicContact CD1-CG2 3.73Å; L562-V569 HydrophobicContact CD2-CG2 4.21Å; V569-F590 CarbonylContact O-C 3.53Å; V569-F590 VanDerWaalsContact O-CA 3.29Å; V569-F590 WeakPolarHBondContact O-CA 3.19Å; V569-F590 PolarHBondContact O-N 3.47Å; V569-F590 VanDerWaalsContact O-N 3.16Å; V569-I591 HydrophobicContact CB-CB 4.09Å; V569-I591 HydrophobicContact CG1-CB 4.42Å; V569-I591 HydrophobicContact CG1-CD1 4.41Å; V569-I591 PolarHBondContact N-O 3.07Å; V569-I591 PolarHBondContact O-N 2.95Å
570	E	88.6	Confident	87.9	Confident	36 Å²	36	41.7 Å²	41.7	17%	0.168	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	-53.3	-176.7	-168.8	-157.7	150.3	0	0	111.1	N529 T530 R537 Y568 S589 F590	N529-E570 WeakPolarHBondContact O-CB 3.24Å; T530-E570 PolarHBondContact OG1-N 3.41Å; R537-E570 IonicContact CZ-OE2 3.56Å; R537-E570 IonicContact NH1-OE1 3.28Å; R537-E570 IonicContact NH1-OE2 3.9Å; R537-E570 PolarHBondContact NH1-OE2 2.81Å; R537-E570 IonicContact NH2-OE1 2.69Å; R537-E570 IonicContact NH2-OE2 3.53Å; R537-E570 PolarHBondContact NH2-OE2 3.25Å; Y568-E570 HydrophobicContact CE2-CB 4.01Å; Y568-E570 HydrophobicContact CE2-CG 4.37Å; E570-S589 WeakPolarHBondContact O-CA 3.49Å; E570-S589 WeakPolarHBondContact O-CB 3.4Å; E570-F590 PolarHBondContact O-N 2.92Å
571	K	93	Very high	87.8	Confident	65 Å²	65	50.2 Å²	50.2	28%	0.283	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	130.4	-172.9	-70.5	174	-176.8	146.6	0	111.7	N529 L587 L588	N529-K571 HydrophobicContact CB-CB 4.12Å; N529-K571 PolarHBondContact N-O 3.09Å; N529-K571 PolarHBondContact O-N 3.09Å; K571-L587 HydrophobicContact CB-CD1 3.83Å; K571-L587 HydrophobicContact CD-CD1 4.27Å; K571-L587 HydrophobicContact CG-CD1 3.92Å; K571-L588 WeakPolarHBondContact CA-O 3.33Å
572	L	94.3	Very high	87.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.4	164.6	175	69.4	0	0	0	107.8	L495 V497 N527 F560 I574 L588 I591 I597	L495-L572 HydrophobicContact CD2-CD1 4.41Å; L495-L572 HydrophobicContact CD2-CD2 4Å; V497-L572 HydrophobicContact CG2-CD1 4.19Å; V497-L572 HydrophobicContact CG2-CD2 3.96Å; N527-L572 CarbonylContact O-C 3.38Å; N527-L572 WeakPolarHBondContact O-CA 3.47Å; F560-L572 HydrophobicContact CE2-CD1 4.37Å; L572-I574 HydrophobicContact CD1-CD1 3.99Å; L572-I574 HydrophobicContact CD2-CD1 4.06Å; L572-I574 HydrophobicContact CD2-CG1 4.33Å; L572-I574 HydrophobicContact CG-CD1 3.91Å; L572-I574 HydrophobicContact CG-CG1 4.24Å; L572-L588 HydrophobicContact CB-CB 4.39Å; L572-L588 HydrophobicContact CD2-CD1 4.16Å; L572-L588 PolarHBondContact N-O 3.36Å; L572-L588 PolarHBondContact O-N 2.95Å; L572-I591 HydrophobicContact CB-CD1 3.55Å; L572-I591 HydrophobicContact CD2-CD1 3.85Å; L572-I591 HydrophobicContact CG-CD1 4.36Å; L572-I597 HydrophobicContact CD2-CD1 4.05Å; L572-I597 HydrophobicContact CD2-CG2 4.07Å
573	T	94.5	Very high	88.1	Confident	40 Å²	40	57.1 Å²	57.1	25%	0.245	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.2	174.3	-51.4	0	0	0	0	108.5	S526 N527 R586 L587	S526-T573 CarbonylContact C-O 3.58Å; S526-T573 WeakPolarHBondContact CA-O 3.35Å; N527-T573 PolarHBondContact N-O 3.28Å; N527-T573 PolarHBondContact O-N 2.82Å; T573-R586 WeakPolarHBondContact CA-O 3.18Å; T573-L587 WeakPolarHBondContact OG1-CD1 3.45Å
574	I	95.6	Very high	88.8	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.8	172	-57.2	-57.3	0	0	0	108	V497 V499 L572 S585 R586 I599 W610	V497-I574 HydrophobicContact CG1-CD1 3.55Å; V499-I574 HydrophobicContact CG1-CG2 4.35Å; V499-I574 HydrophobicContact CG2-CG2 3.68Å; L572-I574 HydrophobicContact CD1-CD1 3.99Å; L572-I574 HydrophobicContact CD2-CD1 4.06Å; L572-I574 HydrophobicContact CD2-CG1 4.33Å; L572-I574 HydrophobicContact CG-CD1 3.91Å; L572-I574 HydrophobicContact CG-CG1 4.24Å; I574-S585 CarbonylContact O-C 3.57Å; I574-S585 VanDerWaalsContact O-CA 3.27Å; I574-S585 WeakPolarHBondContact O-CA 3.2Å; I574-R586 PolarHBondContact N-O 3.42Å; I574-R586 PolarHBondContact O-N 2.84Å; I574-I599 HydrophobicContact CD1-CD1 4.45Å; I574-I599 HydrophobicContact CG1-CD1 4.1Å; I574-I599 HydrophobicContact CG1-CG1 4.34Å; I574-W610 HydrophobicContact CG2-CZ3 4.47Å
575	S	95.6	Very high	89.8	Confident	11 Å²	11	54 Å²	54	8%	0.077	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.8	173.6	-53.2	0	0	0	0	110	S525 R584 S585	S525-S575 PolarHBondContact N-O 2.81Å; S525-S575 PolarHBondContact O-N 2.81Å; S525-S575 WeakPolarHBondContact OG-CB 3.17Å; S575-R584 WeakPolarHBondContact CA-O 3.29Å; S575-S585 WeakPolarHBondContact CB-OG 3.33Å; S575-S585 WeakPolarHBondContact OG-CB 3.4Å; S575-S585 PolarHBondContact OG-OG 3.34Å
576	I	96.3	Very high	90.9	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	25%	0.25	C	S	.	.			trans	-113.4	163.8	170.1	73.3	175.9	0	0	0	108.2	M169 V499 I524 P578 R584 P601 L604 W610	M169-I576 HydrophobicContact CE-CB 4.22Å; M169-I576 HydrophobicContact CE-CD1 4.2Å; M169-I576 HydrophobicContact CE-CG2 4.19Å; M169-I576 HydrophobicContact CG-CD1 4.34Å; M169-I576 HydrophobicContact SD-CB 3.89Å; M169-I576 HydrophobicContact SD-CD1 3.81Å; M169-I576 HydrophobicContact SD-CG1 4.22Å; V499-I576 HydrophobicContact CG1-CG2 4.14Å; I524-I576 HydrophobicContact CD1-CB 3.86Å; I524-I576 HydrophobicContact CD1-CG2 3.7Å; I576-P578 VanDerWaalsContact O-N 3.14Å; I576-R584 HydrophobicContact CD1-CB 4.15Å; I576-R584 HydrophobicContact CG1-CB 3.52Å; I576-R584 HydrophobicContact CG1-CG 4.39Å; I576-R584 PolarHBondContact N-O 3.13Å; I576-P601 HydrophobicContact CD1-CB 3.87Å; I576-P601 HydrophobicContact CD1-CG 4.24Å; I576-P601 HydrophobicContact CG2-CB 4.32Å; I576-P601 HydrophobicContact CG2-CG 4.34Å; I576-L604 HydrophobicContact CD1-CD2 3.55Å; I576-W610 HydrophobicContact CB-CH2 4.43Å; I576-W610 HydrophobicContact CD1-CH2 3.93Å; I576-W610 HydrophobicContact CD1-CZ2 3.58Å; I576-W610 HydrophobicContact CG1-CH2 3.8Å; I576-W610 HydrophobicContact CG1-CZ2 3.9Å; I576-W610 HydrophobicContact CG2-CH2 3.94Å; I576-W610 HydrophobicContact CG2-CZ3 4.43Å
577	P	95.8	Very high	91.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-46.6	122.3	175.5	-27.5	32.3	0	0	0	111.9	D164 S167 P219 R584	D164-P577 HydrophobicContact CB-CG 4.37Å; S167-P577 WeakPolarHBondContact OG-CB 3.4Å; P219-P577 HydrophobicContact CG-CB 4.46Å; P219-P577 HydrophobicContact CG-CG 4.13Å; P577-R584 WeakPolarHBondContact O-CD 3.17Å; P577-R584 PolarHBondContact O-NH1 2.85Å
578	P	95.5	Very high	92.7	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.019	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-73.9	165.1	-172.9	27.9	-30.8	0	0	0	110.4	S167 G217 V218 I243 I576 L582	S167-P578 WeakPolarHBondContact CB-O 3.48Å; S167-P578 PolarHBondContact OG-O 2.9Å; G217-P578 VanDerWaalsContact O-CD 3.23Å; G217-P578 WeakPolarHBondContact O-CD 3.44Å; V218-P578 HydrophobicContact CB-CG 4.44Å; V218-P578 HydrophobicContact CG2-CG 3.74Å; I243-P578 HydrophobicContact CD1-CG 4.23Å; I243-P578 WeakPolarHBondContact CD1-O 3.14Å; I576-P578 VanDerWaalsContact O-N 3.14Å; P578-L582 WeakPolarHBondContact CB-O 3.48Å
579	S	93.2	Very high	93.2	Very high	27 Å²	27	45.8 Å²	45.8	19%	0.189	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-87.8	172.5	165.9	81.6	0	0	0	0	110	Q240 E581 L582	Q240-S579 VanDerWaalsContact CD-O 3.28Å; Q240-S579 WeakPolarHBondContact CG-O 3.41Å; Q240-S579 PolarHBondContact NE2-O 3Å; S579-E581 PolarHBondContact O-N 2.85Å; S579-E581 VanDerWaalsContact O-N 3.11Å; S579-E581 PolarHBondContact OG-N 2.76Å; S579-L582 PolarHBondContact N-O 3.03Å; S579-L582 WeakPolarHBondContact OG-CB 3.44Å; S579-L582 PolarHBondContact OG-N 3.24Å
580	K	91.3	Very high	93.2	Very high	124 Å²	124	53 Å²	53	54%	0.539	26%	0.264	S	S	.	.	S	Bend	trans	-57.8	-23.5	174	-71.7	-170	176.2	-177.4	0	114.4	Q240 I243	Q240-K580 WeakPolarHBondContact CG-O 3.28Å; I243-K580 HydrophobicContact CB-CG 4.06Å; I243-K580 WeakPolarHBondContact O-CE 3.36Å; I243-K580 PolarHBondContact O-NZ 2.73Å
581	E	88.8	Confident	93.1	Very high	185 Å²	185	51.8 Å²	51.8	86%	0.864	26%	0.258	S	S	*	.	S	Bend	trans	-115.1	-19.3	-170.8	-61.8	179.1	179.6	0	0	112.7	S579	S579-E581 PolarHBondContact O-N 2.85Å; S579-E581 VanDerWaalsContact O-N 3.11Å; S579-E581 PolarHBondContact OG-N 2.76Å
582	L	92.8	Very high	92.9	Very high	62 Å²	62	52.6 Å²	52.6	33%	0.325	27%	0.268	S	S	.	.			trans	-138.2	125.8	-170	-177.4	69.2	0	0	0	111.5	P578 S579 D605 P607	P578-L582 WeakPolarHBondContact CB-O 3.48Å; S579-L582 PolarHBondContact N-O 3.03Å; S579-L582 WeakPolarHBondContact OG-CB 3.44Å; S579-L582 PolarHBondContact OG-N 3.24Å; L582-D605 WeakPolarHBondContact CD2-O 3.46Å; L582-P607 HydrophobicContact CD2-CG 4.39Å
583	I	92.4	Very high	92.6	Very high	100 Å²	100	53 Å²	53	51%	0.513	27%	0.271	S	S	.	.			trans	-71.4	127.2	165.4	-61.6	173.7	0	0	0	108.2	S585	I583-S585 WeakPolarHBondContact CG2-OG 3.48Å
584	R	95.5	Very high	92.2	Very high	24 Å²	24	52.7 Å²	52.7	9%	0.091	27%	0.266	C	S	.	.			trans	-104.8	77.7	-177.6	-64.9	-175.5	-177.1	147.4	-10.8	110.7	S167 S575 I576 P577 L604 P607 W610	S167-R584 PolarHBondContact O-NH1 3.28Å; S575-R584 WeakPolarHBondContact CA-O 3.29Å; I576-R584 HydrophobicContact CD1-CB 4.15Å; I576-R584 HydrophobicContact CG1-CB 3.52Å; I576-R584 HydrophobicContact CG1-CG 4.39Å; I576-R584 PolarHBondContact N-O 3.13Å; P577-R584 WeakPolarHBondContact O-CD 3.17Å; P577-R584 PolarHBondContact O-NH1 2.85Å; R584-L604 WeakPolarHBondContact CD-O 3.5Å; R584-L604 WeakPolarHBondContact CG-O 3.23Å; R584-L604 PolarHBondContact NE-O 3Å; R584-P607 HydrophobicContact CB-CG 4.34Å; R584-P607 HydrophobicContact CG-CG 4.46Å; R584-W610 HydrophobicContact CB-CH2 4.25Å; R584-W610 HydrophobicContact CB-CZ2 4.05Å; R584-W610 WeakPolarHBondContact O-CH2 3.15Å
585	S	95.4	Very high	91.9	Very high	42 Å²	42	52.6 Å²	52.6	29%	0.294	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.5	178.6	-55.5	0	0	0	0	111.5	I574 S575 I583 P607	I574-S585 CarbonylContact O-C 3.57Å; I574-S585 VanDerWaalsContact O-CA 3.27Å; I574-S585 WeakPolarHBondContact O-CA 3.2Å; S575-S585 WeakPolarHBondContact CB-OG 3.33Å; S575-S585 WeakPolarHBondContact OG-CB 3.4Å; S575-S585 PolarHBondContact OG-OG 3.34Å; I583-S585 WeakPolarHBondContact CG2-OG 3.48Å; S585-P607 WeakPolarHBondContact O-CB 3.34Å
586	R	94.5	Very high	91.6	Very high	75 Å²	75	53.2 Å²	53.2	28%	0.283	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117.7	177.9	-179	56.5	161	-171.5	-11.3	110.1	T573 I574 L588 P607 S608 W610	T573-R586 WeakPolarHBondContact CA-O 3.18Å; I574-R586 PolarHBondContact N-O 3.42Å; I574-R586 PolarHBondContact O-N 2.84Å; R586-L588 HydrophobicContact CG-CD2 3.99Å; R586-L588 HydrophobicContact CG-CG 4.33Å; R586-P607 VanDerWaalsContact CD-O 3.31Å; R586-P607 WeakPolarHBondContact CD-O 3.23Å; R586-S608 VanDerWaalsContact NH1-CA 3.27Å; R586-S608 PolarHBondContact NH1-O 3.02Å; R586-S608 PolarHBondContact NH2-O 3.01Å; R586-W610 HydrophobicContact CB-CD2 4.38Å; R586-W610 HydrophobicContact CB-CE3 3.46Å; R586-W610 VanDerWaalsContact CB-CE3 3.46Å; R586-W610 HydrophobicContact CB-CZ3 3.63Å; R586-W610 HydrophobicContact CG-CE3 4.19Å
587	L	94.4	Very high	91.5	Very high	87 Å²	87	53.1 Å²	53.1	46%	0.455	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	125.4	168.8	-178.5	68.4	0	0	0	109.6	K571 T573	K571-L587 HydrophobicContact CB-CD1 3.83Å; K571-L587 HydrophobicContact CD-CD1 4.27Å; K571-L587 HydrophobicContact CG-CD1 3.92Å; T573-L587 WeakPolarHBondContact OG1-CD1 3.45Å
588	L	92.5	Very high	91.4	Very high	17 Å²	17	53.3 Å²	53.3	9%	0.089	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	143.8	171.7	-58.5	171.2	0	0	0	108.2	K571 L572 R586 I591 I597 M612	K571-L588 WeakPolarHBondContact CA-O 3.33Å; L572-L588 HydrophobicContact CB-CB 4.39Å; L572-L588 HydrophobicContact CD2-CD1 4.16Å; L572-L588 PolarHBondContact N-O 3.36Å; L572-L588 PolarHBondContact O-N 2.95Å; R586-L588 HydrophobicContact CG-CD2 3.99Å; R586-L588 HydrophobicContact CG-CG 4.33Å; L588-I591 HydrophobicContact CB-CD1 3.85Å; L588-I591 HydrophobicContact CB-CG1 4.39Å; L588-I591 HydrophobicContact CD1-CD1 4.45Å; L588-I597 HydrophobicContact CD1-CD1 3.32Å; L588-M612 HydrophobicContact CD1-SD 3.54Å; L588-M612 VanDerWaalsContact CD1-SD 3.54Å; L588-M612 HydrophobicContact CD2-CE 4.31Å; L588-M612 HydrophobicContact CD2-SD 3.65Å; L588-M612 HydrophobicContact CG-SD 4.15Å
589	S	91.4	Very high	91.4	Very high	61 Å²	61	53.4 Å²	53.4	43%	0.427	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.3	-176.3	-55.4	0	0	0	0	112	E570	E570-S589 WeakPolarHBondContact O-CA 3.49Å; E570-S589 WeakPolarHBondContact O-CB 3.4Å
590	F	85	Confident	91.5	Very high	151 Å²	151	52.3 Å²	52.3	66%	0.662	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.5	51.8	178.2	-55.1	-76.5	0	0	0	113.1	Y568 V569 E570	Y568-F590 AromaticContact CD2-CD1 3.83Å; Y568-F590 HydrophobicContact CD2-CD1 3.83Å; Y568-F590 HydrophobicContact CD2-CE1 4.39Å; Y568-F590 AromaticContact CE2-CD1 3.9Å; Y568-F590 HydrophobicContact CE2-CD1 3.9Å; Y568-F590 AromaticContact CE2-CE1 4Å; Y568-F590 HydrophobicContact CE2-CE1 4Å; V569-F590 CarbonylContact O-C 3.53Å; V569-F590 VanDerWaalsContact O-CA 3.29Å; V569-F590 WeakPolarHBondContact O-CA 3.19Å; V569-F590 PolarHBondContact O-N 3.47Å; V569-F590 VanDerWaalsContact O-N 3.16Å; E570-F590 PolarHBondContact O-N 2.92Å
591	I	87.5	Confident	91.8	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.051	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	138.2	178.8	-57.2	163.5	0	0	0	109.3	L495 V569 L572 L588 P593 I597 L614	L495-I591 HydrophobicContact CD1-CG2 3.87Å; L495-I591 HydrophobicContact CD2-CD1 4.49Å; V569-I591 HydrophobicContact CB-CB 4.09Å; V569-I591 HydrophobicContact CG1-CB 4.42Å; V569-I591 HydrophobicContact CG1-CD1 4.41Å; V569-I591 PolarHBondContact N-O 3.07Å; V569-I591 PolarHBondContact O-N 2.95Å; L572-I591 HydrophobicContact CB-CD1 3.55Å; L572-I591 HydrophobicContact CD2-CD1 3.85Å; L572-I591 HydrophobicContact CG-CD1 4.36Å; L588-I591 HydrophobicContact CB-CD1 3.85Å; L588-I591 HydrophobicContact CB-CG1 4.39Å; L588-I591 HydrophobicContact CD1-CD1 4.45Å; I591-P593 WeakPolarHBondContact O-CD 3.38Å; I591-I597 HydrophobicContact CD1-CD1 4.48Å; I591-L614 HydrophobicContact CG2-CD1 4.12Å
592	V	88.7	Confident	92.1	Very high	82 Å²	82	42.2 Å²	42.2	50%	0.497	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-72.7	126.1	174.2	-177.6	0	0	0	0	109.2	A595 L614 L616	V592-A595 WeakPolarHBondContact O-CB 3.26Å; V592-L614 HydrophobicContact CB-CD2 4.48Å; V592-L616 HydrophobicContact CG1-CD2 4.28Å
593	P	88.2	Confident	92.3	Very high	10 Å²	10	41 Å²	41	7%	0.065	21%	0.208	C	C	.	.	S	Bend	trans	-63.6	170.7	174.4	-27.9	40.3	0	0	0	113.4	Y493 L562 A566 I591 A595	Y493-P593 HydrophobicContact CD1-CB 3.55Å; Y493-P593 HydrophobicContact CD1-CG 4.45Å; Y493-P593 HydrophobicContact CE1-CB 4.32Å; Y493-P593 HydrophobicContact CG-CB 4.38Å; L562-P593 HydrophobicContact CD1-CB 3.94Å; L562-P593 HydrophobicContact CD1-CG 4.3Å; A566-P593 HydrophobicContact CB-CB 4.23Å; A566-P593 HydrophobicContact CB-CG 3.95Å; I591-P593 WeakPolarHBondContact O-CD 3.38Å; P593-A595 VanDerWaalsContact C-N 3.31Å
594	K	85.9	Confident	92.4	Very high	32 Å²	32	37.4 Å²	37.4	14%	0.139	19%	0.19	C	C	.	.	S	Bend	trans	57.1	45.7	-175.4	-67.2	-177.8	178.3	-174.4	0	112.1	D491 P492 Y493 F494	D491-K594 WeakPolarHBondContact O-CE 3.41Å; D491-K594 PolarHBondContact O-NZ 3.1Å; D491-K594 IonicContact OD1-NZ 3.25Å; D491-K594 PolarHBondContact OD1-NZ 2.69Å; D491-K594 IonicContact OD2-NZ 3.36Å; D491-K594 PolarHBondContact OD2-NZ 2.99Å; P492-K594 VanDerWaalsContact O-CE 3.23Å; P492-K594 WeakPolarHBondContact O-CE 3.35Å; Y493-K594 HydrophobicContact CD1-CD 3.9Å; Y493-K594 HydrophobicContact CD1-CG 3.67Å; Y493-K594 HydrophobicContact CE1-CD 4.01Å; Y493-K594 HydrophobicContact CE1-CG 4.24Å; Y493-K594 HydrophobicContact CG-CG 4.27Å; F494-K594 HydrophobicContact CD1-CG 4.31Å; F494-K594 HydrophobicContact CE1-CB 4.27Å; F494-K594 HydrophobicContact CE1-CG 4.31Å; F494-K594 WeakPolarHBondContact O-CA 3.11Å; F494-K594 PolarHBondContact O-N 2.91Å
595	A	88	Confident	92.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.3	-176.5	0	0	0	0	0	110.9	K496 V592 P593 L614 F615 L616	K496-A595 PolarHBondContact N-O 3.09Å; K496-A595 VanDerWaalsContact N-O 3.07Å; V592-A595 WeakPolarHBondContact O-CB 3.26Å; P593-A595 VanDerWaalsContact C-N 3.31Å; A595-L614 HydrophobicContact CB-CD1 3.48Å; A595-L614 VanDerWaalsContact CB-CD1 3.48Å; A595-L614 HydrophobicContact CB-CG 4Å; A595-F615 WeakPolarHBondContact CA-O 3.49Å; A595-L616 HydrophobicContact CB-CD2 3.98Å
596	Q	90.8	Very high	92.4	Very high	23 Å²	23	43.2 Å²	43.2	11%	0.107	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.1	163.5	-179.8	-176.3	15.1	0	0	108.4	K496 V598 F615	K496-Q596 HydrophobicContact CB-CB 4.23Å; K496-Q596 HydrophobicContact CB-CG 4.21Å; K496-Q596 HydrophobicContact CD-CG 4.24Å; K496-Q596 HydrophobicContact CG-CG 4.13Å; K496-Q596 CarbonylContact O-C 3.56Å; K496-Q596 WeakPolarHBondContact O-CA 3.2Å; Q596-V598 HydrophobicContact CG-CG2 4.33Å; Q596-F615 HydrophobicContact CB-CB 4.31Å; Q596-F615 PolarHBondContact N-O 3.36Å; Q596-F615 PolarHBondContact O-N 3.13Å
597	I	92.8	Very high	92.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.3	173.6	-174.1	179.7	0	0	0	109.1	L495 K496 V497 T498 L572 L588 I591 I599 M612 L614	L495-I597 HydrophobicContact CD1-CG2 4.16Å; L495-I597 HydrophobicContact CG-CG2 4.44Å; K496-I597 WeakPolarHBondContact O-CG2 3.34Å; K496-I597 PolarHBondContact O-N 2.74Å; V497-I597 HydrophobicContact CB-CG2 4.1Å; V497-I597 HydrophobicContact CG1-CG2 4.24Å; V497-I597 HydrophobicContact CG2-CG2 3.68Å; T498-I597 PolarHBondContact N-O 2.92Å; L572-I597 HydrophobicContact CD2-CD1 4.05Å; L572-I597 HydrophobicContact CD2-CG2 4.07Å; L588-I597 HydrophobicContact CD1-CD1 3.32Å; I591-I597 HydrophobicContact CD1-CD1 4.48Å; I597-I599 HydrophobicContact CB-CD1 4.37Å; I597-I599 HydrophobicContact CD1-CD1 3.8Å; I597-I599 HydrophobicContact CD1-CG1 4.06Å; I597-I599 HydrophobicContact CG1-CD1 3.68Å; I597-I599 HydrophobicContact CG1-CG1 4.1Å; I597-I599 HydrophobicContact CG2-CD1 4.04Å; I597-M612 HydrophobicContact CD1-CG 3.6Å; I597-M612 HydrophobicContact CD1-SD 3.3Å; I597-M612 WeakPolarHBondContact CD1-SD 3.19Å; I597-M612 HydrophobicContact CG1-CG 3.66Å; I597-M612 HydrophobicContact CG1-SD 4.02Å; I597-L614 HydrophobicContact CB-CD1 4.4Å
598	V	94	Very high	92.5	Very high	5 Å²	5	40 Å²	40	3%	0.03	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.5	171.3	-174.8	0	0	0	0	108.7	T498 L500 Y517 Q596 K613 F615	T498-V598 WeakPolarHBondContact O-CA 3.43Å; L500-V598 HydrophobicContact CD1-CG1 4.15Å; L500-V598 HydrophobicContact CD2-CG1 3.99Å; L500-V598 HydrophobicContact CG-CG1 3.97Å; Y517-V598 HydrophobicContact CD1-CG1 4.12Å; Y517-V598 HydrophobicContact CE1-CG1 3.95Å; Q596-V598 HydrophobicContact CG-CG2 4.33Å; V598-K613 PolarHBondContact N-O 2.81Å; V598-K613 PolarHBondContact O-N 2.79Å; V598-F615 HydrophobicContact CB-CE2 4.18Å; V598-F615 HydrophobicContact CG2-CD2 4Å; V598-F615 HydrophobicContact CG2-CE2 3.72Å
599	I	95.5	Very high	92.6	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.6	178.8	-56.7	90.8	0	0	0	108.3	V497 T498 V499 L500 I574 I597 W610	V497-I599 HydrophobicContact CG1-CD1 3.96Å; T498-I599 PolarHBondContact O-N 2.75Å; V499-I599 WeakPolarHBondContact CA-O 3.18Å; V499-I599 HydrophobicContact CG2-CB 4.49Å; V499-I599 HydrophobicContact CG2-CD1 4.31Å; L500-I599 PolarHBondContact N-O 3.17Å; I574-I599 HydrophobicContact CD1-CD1 4.45Å; I574-I599 HydrophobicContact CG1-CD1 4.1Å; I574-I599 HydrophobicContact CG1-CG1 4.34Å; I597-I599 HydrophobicContact CB-CD1 4.37Å; I597-I599 HydrophobicContact CD1-CD1 3.8Å; I597-I599 HydrophobicContact CD1-CG1 4.06Å; I597-I599 HydrophobicContact CG1-CD1 3.68Å; I597-I599 HydrophobicContact CG1-CG1 4.1Å; I597-I599 HydrophobicContact CG2-CD1 4.04Å; I599-W610 HydrophobicContact CG2-CE3 4.18Å
600	N	96.7	Very high	92.9	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.027	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	107.5	167.9	-178.7	35.2	0	0	0	108.5	L500 G502 C504 S505 Y602 T611	L500-N600 HydrophobicContact CD1-CB 4.08Å; L500-N600 HydrophobicContact CG-CB 4.5Å; G502-N600 VanDerWaalsContact CA-OD1 3.31Å; G502-N600 WeakPolarHBondContact CA-OD1 3.37Å; G502-N600 PolarHBondContact N-OD1 3.01Å; C504-N600 PolarHBondContact O-ND2 3.09Å; S505-N600 PolarHBondContact O-ND2 3.48Å; N600-Y602 PolarHBondContact O-N 3.02Å; N600-T611 WeakPolarHBondContact CB-OG1 3.3Å; N600-T611 PolarHBondContact N-O 2.86Å; N600-T611 PolarHBondContact O-N 2.73Å; N600-T611 VanDerWaalsContact O-N 3.11Å; N600-T611 PolarHBondContact O-OG1 3.43Å
601	P	96.7	Very high	93.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.			trans	-77.3	57.1	-173	31	-32.9	0	0	0	112.5	M169 V499 L500 I576 P603 L604 W610	M169-P601 HydrophobicContact CE-CG 4.1Å; V499-P601 HydrophobicContact CG1-CG 4.35Å; L500-P601 WeakPolarHBondContact O-CD 3.34Å; L500-P601 WeakPolarHBondContact O-CG 3.3Å; I576-P601 HydrophobicContact CD1-CB 3.87Å; I576-P601 HydrophobicContact CD1-CG 4.24Å; I576-P601 HydrophobicContact CG2-CB 4.32Å; I576-P601 HydrophobicContact CG2-CG 4.34Å; P601-P603 CarbonylContact O-C 3.45Å; P601-L604 HydrophobicContact CB-CD2 4.37Å; P601-L604 HydrophobicContact CG-CD2 4.38Å; P601-L604 VanDerWaalsContact O-CD2 3.23Å; P601-L604 WeakPolarHBondContact O-CD2 3.47Å; P601-L604 PolarHBondContact O-N 2.72Å; P601-W610 HydrophobicContact CB-CD2 3.65Å; P601-W610 VanDerWaalsContact CB-CE2 3.45Å; P601-W610 HydrophobicContact CB-CE3 4.05Å; P601-W610 HydrophobicContact CB-CG 4.12Å; P601-W610 HydrophobicContact CB-CH2 4.16Å; P601-W610 HydrophobicContact CB-CZ2 3.75Å; P601-W610 HydrophobicContact CB-CZ3 4.29Å; P601-W610 PolarHBondContact O-NE1 3.39Å
602	Y	96	Very high	93.5	Very high	96 Å²	96	38.9 Å²	38.9	38%	0.376	22%	0.217	S	C	.	.			trans	-110.5	134.8	178.4	-175	-83.5	0	0	0	111.5	G502 N600 W610	G502-Y602 WeakPolarHBondContact O-CD2 3.43Å; N600-Y602 PolarHBondContact O-N 3.02Å; Y602-W610 WeakPolarHBondContact O-CA 3.41Å
603	P	96.1	Very high	93.6	Very high	36 Å²	36	39.2 Å²	39.2	23%	0.234	21%	0.212	C	C	.	.	S	Bend	cis	-77	154.2	-12.2	36.7	-36.5	0	0	0	110.5	P601 D605 N606 W610	P601-P603 CarbonylContact O-C 3.45Å; P603-D605 VanDerWaalsContact CB-OD1 3.27Å; P603-D605 WeakPolarHBondContact CB-OD1 3.44Å; P603-D605 WeakPolarHBondContact CG-OD1 3.27Å; P603-D605 PolarHBondContact O-N 3.38Å; P603-N606 HydrophobicContact CG-CB 3.89Å; P603-N606 PolarHBondContact O-N 3.31Å; P603-N606 VanDerWaalsContact O-N 3.15Å; P603-W610 PolarHBondContact O-NE1 3.28Å; P603-W610 VanDerWaalsContact O-NE1 3.1Å
604	L	95.3	Very high	93.6	Very high	26 Å²	26	42.2 Å²	42.2	14%	0.136	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.4	-174.1	-64.1	173.5	0	0	0	113.4	M169 L503 I576 R584 P601 N606	M169-L604 HydrophobicContact CB-CD1 4.42Å; M169-L604 HydrophobicContact CG-CD1 3.91Å; M169-L604 HydrophobicContact CG-CD2 3.53Å; M169-L604 HydrophobicContact CG-CG 4.41Å; L503-L604 HydrophobicContact CD2-CD1 4.44Å; I576-L604 HydrophobicContact CD1-CD2 3.55Å; R584-L604 WeakPolarHBondContact CD-O 3.5Å; R584-L604 WeakPolarHBondContact CG-O 3.23Å; R584-L604 PolarHBondContact NE-O 3Å; P601-L604 HydrophobicContact CB-CD2 4.37Å; P601-L604 HydrophobicContact CG-CD2 4.38Å; P601-L604 VanDerWaalsContact O-CD2 3.23Å; P601-L604 WeakPolarHBondContact O-CD2 3.47Å; P601-L604 PolarHBondContact O-N 2.72Å; L604-N606 VanDerWaalsContact C-N 3.35Å
605	D	94.5	Very high	93.6	Very high	114 Å²	114	43.4 Å²	43.4	61%	0.61	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.3	-179.5	66.7	-29.6	0	0	0	113.8	L582 P603	L582-D605 WeakPolarHBondContact CD2-O 3.46Å; P603-D605 VanDerWaalsContact CB-OD1 3.27Å; P603-D605 WeakPolarHBondContact CB-OD1 3.44Å; P603-D605 WeakPolarHBondContact CG-OD1 3.27Å; P603-D605 PolarHBondContact O-N 3.38Å
606	N	96	Very high	93.2	Very high	74 Å²	74	48.6 Å²	48.6	40%	0.396	26%	0.26	S	S	.	.			trans	-132.8	82	175.3	-170.5	-6	0	0	0	111.5	P603 L604 S608 A609	P603-N606 HydrophobicContact CG-CB 3.89Å; P603-N606 PolarHBondContact O-N 3.31Å; P603-N606 VanDerWaalsContact O-N 3.15Å; L604-N606 VanDerWaalsContact C-N 3.35Å; N606-S608 PolarHBondContact O-N 2.83Å; N606-S608 PolarHBondContact OD1-N 3.21Å; N606-A609 HydrophobicContact CB-CB 4.16Å; N606-A609 PolarHBondContact O-N 3.4Å
607	P	96	Very high	92.1	Very high	13 Å²	13	50 Å²	50	8%	0.084	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-52.9	-25.9	176.2	-27.6	35.3	0	0	0	114.4	L582 R584 S585 R586 A609 W610	L582-P607 HydrophobicContact CD2-CG 4.39Å; R584-P607 HydrophobicContact CB-CG 4.34Å; R584-P607 HydrophobicContact CG-CG 4.46Å; S585-P607 WeakPolarHBondContact O-CB 3.34Å; R586-P607 VanDerWaalsContact CD-O 3.31Å; R586-P607 WeakPolarHBondContact CD-O 3.23Å; P607-A609 VanDerWaalsContact C-N 3.29Å; P607-A609 PolarHBondContact O-N 2.75Å; P607-W610 HydrophobicContact CB-CD2 4.38Å; P607-W610 HydrophobicContact CB-CH2 4.42Å; P607-W610 HydrophobicContact CB-CZ2 4.03Å; P607-W610 HydrophobicContact CG-CZ2 4.11Å
608	S	94.4	Very high	90.6	Very high	81 Å²	81	53.6 Å²	53.6	57%	0.566	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-74.9	-18.9	179.2	-69.2	0	0	0	0	114.6	R586 N606	R586-S608 VanDerWaalsContact NH1-CA 3.27Å; R586-S608 PolarHBondContact NH1-O 3.02Å; R586-S608 PolarHBondContact NH2-O 3.01Å; N606-S608 PolarHBondContact O-N 2.83Å; N606-S608 PolarHBondContact OD1-N 3.21Å
609	A	95.3	Very high	88.7	Confident	46 Å²	46	59.9 Å²	59.9	38%	0.38	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-98.2	-2.3	-179.9	0	0	0	0	0	113.6	N606 P607 T611	N606-A609 HydrophobicContact CB-CB 4.16Å; N606-A609 PolarHBondContact O-N 3.4Å; P607-A609 VanDerWaalsContact C-N 3.29Å; P607-A609 PolarHBondContact O-N 2.75Å; A609-T611 PolarHBondContact O-N 3.15Å
610	W	96.4	Very high	86.8	Confident	14 Å²	14	64.4 Å²	64.4	5%	0.053	34%	0.339	C	S	.	.			trans	-54	137.4	178.5	-69	-3.3	0	0	0	112.4	I574 I576 R584 R586 I599 P601 Y602 P603 P607	I574-W610 HydrophobicContact CG2-CZ3 4.47Å; I576-W610 HydrophobicContact CB-CH2 4.43Å; I576-W610 HydrophobicContact CD1-CH2 3.93Å; I576-W610 HydrophobicContact CD1-CZ2 3.58Å; I576-W610 HydrophobicContact CG1-CH2 3.8Å; I576-W610 HydrophobicContact CG1-CZ2 3.9Å; I576-W610 HydrophobicContact CG2-CH2 3.94Å; I576-W610 HydrophobicContact CG2-CZ3 4.43Å; R584-W610 HydrophobicContact CB-CH2 4.25Å; R584-W610 HydrophobicContact CB-CZ2 4.05Å; R584-W610 WeakPolarHBondContact O-CH2 3.15Å; R586-W610 HydrophobicContact CB-CD2 4.38Å; R586-W610 HydrophobicContact CB-CE3 3.46Å; R586-W610 VanDerWaalsContact CB-CE3 3.46Å; R586-W610 HydrophobicContact CB-CZ3 3.63Å; R586-W610 HydrophobicContact CG-CE3 4.19Å; I599-W610 HydrophobicContact CG2-CE3 4.18Å; P601-W610 HydrophobicContact CB-CD2 3.65Å; P601-W610 VanDerWaalsContact CB-CE2 3.45Å; P601-W610 HydrophobicContact CB-CE3 4.05Å; P601-W610 HydrophobicContact CB-CG 4.12Å; P601-W610 HydrophobicContact CB-CH2 4.16Å; P601-W610 HydrophobicContact CB-CZ2 3.75Å; P601-W610 HydrophobicContact CB-CZ3 4.29Å; P601-W610 PolarHBondContact O-NE1 3.39Å; Y602-W610 WeakPolarHBondContact O-CA 3.41Å; P603-W610 PolarHBondContact O-NE1 3.28Å; P603-W610 VanDerWaalsContact O-NE1 3.1Å; P607-W610 HydrophobicContact CB-CD2 4.38Å; P607-W610 HydrophobicContact CB-CH2 4.42Å; P607-W610 HydrophobicContact CB-CZ2 4.03Å; P607-W610 HydrophobicContact CG-CZ2 4.11Å
611	T	94.2	Very high	84.8	Confident	60 Å²	60	71 Å²	71	37%	0.368	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.8	-178.4	61.6	0	0	0	0	110.4	N600 A609	N600-T611 WeakPolarHBondContact CB-OG1 3.3Å; N600-T611 PolarHBondContact N-O 2.86Å; N600-T611 PolarHBondContact O-N 2.73Å; N600-T611 VanDerWaalsContact O-N 3.11Å; N600-T611 PolarHBondContact O-OG1 3.43Å; A609-T611 PolarHBondContact O-N 3.15Å
612	M	91.1	Very high	83.1	Confident	95 Å²	95	76.1 Å²	76.1	47%	0.468	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.1	-177.6	175.6	-177.4	67.7	0	0	108.7	L588 I597	L588-M612 HydrophobicContact CD1-SD 3.54Å; L588-M612 VanDerWaalsContact CD1-SD 3.54Å; L588-M612 HydrophobicContact CD2-CE 4.31Å; L588-M612 HydrophobicContact CD2-SD 3.65Å; L588-M612 HydrophobicContact CG-SD 4.15Å; I597-M612 HydrophobicContact CD1-CG 3.6Å; I597-M612 HydrophobicContact CD1-SD 3.3Å; I597-M612 WeakPolarHBondContact CD1-SD 3.19Å; I597-M612 HydrophobicContact CG1-CG 3.66Å; I597-M612 HydrophobicContact CG1-SD 4.02Å
613	K	91.4	Very high	81.8	Confident	90 Å²	90	77.6 Å²	77.6	39%	0.391	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.7	173.2	-65.2	-179.6	-176.7	174	0	108.9	V598 F615	V598-K613 PolarHBondContact N-O 2.81Å; V598-K613 PolarHBondContact O-N 2.79Å; K613-F615 HydrophobicContact CB-CD2 4.45Å; K613-F615 HydrophobicContact CB-CE2 3.69Å; K613-F615 HydrophobicContact CB-CZ 3.99Å; K613-F615 HydrophobicContact CD-CZ 4.2Å
614	L	89.4	Confident	80.7	Confident	72 Å²	72	79 Å²	79	38%	0.377	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.9	173.3	-168.3	73.6	0	0	0	108.5	I591 V592 A595 I597 L616	I591-L614 HydrophobicContact CG2-CD1 4.12Å; V592-L614 HydrophobicContact CB-CD2 4.48Å; A595-L614 HydrophobicContact CB-CD1 3.48Å; A595-L614 VanDerWaalsContact CB-CD1 3.48Å; A595-L614 HydrophobicContact CB-CG 4Å; I597-L614 HydrophobicContact CB-CD1 4.4Å; L614-L616 HydrophobicContact CD2-CD2 4.03Å; L614-L616 HydrophobicContact CG-CD2 4.35Å
615	F	85.6	Confident	80	Confident	58 Å²	58	82.1 Å²	82.1	25%	0.254	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.8	171.8	-60.8	-83	0	0	0	108	A595 Q596 V598 K613	A595-F615 WeakPolarHBondContact CA-O 3.49Å; Q596-F615 HydrophobicContact CB-CB 4.31Å; Q596-F615 PolarHBondContact N-O 3.36Å; Q596-F615 PolarHBondContact O-N 3.13Å; V598-F615 HydrophobicContact CB-CE2 4.18Å; V598-F615 HydrophobicContact CG2-CD2 4Å; V598-F615 HydrophobicContact CG2-CE2 3.72Å; K613-F615 HydrophobicContact CB-CD2 4.45Å; K613-F615 HydrophobicContact CB-CE2 3.69Å; K613-F615 HydrophobicContact CB-CZ 3.99Å; K613-F615 HydrophobicContact CD-CZ 4.2Å
616	L	79.9	Confident	79.5	Confident	109 Å²	109	83.4 Å²	83.4	57%	0.571	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.4	174.5	-61.5	174.3	0	0	0	108.5	V592 A595 L614	V592-L616 HydrophobicContact CG1-CD2 4.28Å; A595-L616 HydrophobicContact CB-CD2 3.98Å; L614-L616 HydrophobicContact CD2-CD2 4.03Å; L614-L616 HydrophobicContact CG-CD2 4.35Å
617	Q	66.9	Low	79	Confident	53 Å²	53	85.3 Å²	85.3	25%	0.248	44%	0.439	C	S	.	.			trans	-56.7	132.4	165.7	-175	177	6.6	0	0	108.1	F76 L619	F76-Q617 HydrophobicContact CB-CG 4.18Å; F76-Q617 HydrophobicContact CD1-CG 3.51Å; F76-Q617 HydrophobicContact CD2-CB 4.49Å; F76-Q617 HydrophobicContact CD2-CG 3.95Å; F76-Q617 HydrophobicContact CE1-CB 4.21Å; F76-Q617 HydrophobicContact CE1-CG 3.56Å; F76-Q617 HydrophobicContact CE2-CB 4.25Å; F76-Q617 HydrophobicContact CE2-CG 4.09Å; F76-Q617 HydrophobicContact CG-CG 3.65Å; F76-Q617 HydrophobicContact CZ-CB 4.09Å; F76-Q617 HydrophobicContact CZ-CG 3.89Å; Q617-L619 PolarHBondContact O-N 2.79Å
618	P	61.1	Low	78.6	Confident	75 Å²	75	87.1 Å²	87.1	49%	0.487	46%	0.455	S	S	.	.			trans	-60.5	111.8	174.2	23.9	-31.4	0	0	0	108.1	F76 Y620	F76-P618 HydrophobicContact CB-CG 4.44Å; P618-Y620 VanDerWaalsContact C-N 3.27Å; P618-Y620 PolarHBondContact O-N 3.44Å
619	L	54.9	Low	78.5	Confident	136 Å²	136	87 Å²	87	71%	0.712	45%	0.447	S	S	*	.			trans	-55.2	103.3	156.9	-71.3	151	0	0	0	104.1	Q617 N621 V624	Q617-L619 PolarHBondContact O-N 2.79Å; L619-N621 PolarHBondContact O-N 3.34Å; L619-V624 HydrophobicContact CB-CG2 3.51Å; L619-V624 WeakPolarHBondContact O-CG2 3.41Å
620	Y	53.9	Low	78.4	Confident	99 Å²	99	88.5 Å²	88.5	39%	0.388	45%	0.452	S	S	.	.			trans	-34.6	131	-171.1	-98.1	-93.6	0	0	0	111.5	S78 P618 M622 K623 V624	S78-Y620 PolarHBondContact N-OH 2.99Å; P618-Y620 VanDerWaalsContact C-N 3.27Å; P618-Y620 PolarHBondContact O-N 3.44Å; Y620-M622 CarbonylContact O-C 3.58Å; Y620-M622 PolarHBondContact O-N 3.2Å; Y620-K623 WeakPolarHBondContact O-CA 3.21Å; Y620-K623 PolarHBondContact O-N 3Å; Y620-V624 PolarHBondContact O-N 2.83Å; Y620-V624 VanDerWaalsContact O-N 3.11Å
621	N	55.3	Low	78.4	Confident	143 Å²	143	93 Å²	93	77%	0.765	48%	0.476	S	S	*	.	H	α-helix	trans	-49.6	-31.3	-176.3	-147	-6.6	0	0	0	111.9	L619 L625	L619-N621 PolarHBondContact O-N 3.34Å; N621-L625 WeakPolarHBondContact O-CB 3.47Å; N621-L625 PolarHBondContact O-N 2.84Å; N621-L625 VanDerWaalsContact O-N 3.1Å
622	M	61.1	Low	78.5	Confident	109 Å²	109	95.2 Å²	95.2	54%	0.537	49%	0.485	S	S	.	.	H	α-helix	trans	-72	-44.6	172.8	-66.6	-60.7	-178.4	0	0	114	Y620 V624 L625 Y626	Y620-M622 CarbonylContact O-C 3.58Å; Y620-M622 PolarHBondContact O-N 3.2Å; M622-V624 PolarHBondContact O-N 3.24Å; M622-L625 PolarHBondContact O-N 3.2Å; M622-Y626 VanDerWaalsContact C-CD2 3.49Å; M622-Y626 HydrophobicContact CB-CD2 4.22Å; M622-Y626 HydrophobicContact CB-CE2 3.77Å; M622-Y626 WeakPolarHBondContact O-CB 3.49Å; M622-Y626 WeakPolarHBondContact O-CD2 3.39Å; M622-Y626 PolarHBondContact O-N 3.08Å
623	K	68.7	Low	78.7	Confident	126 Å²	126	94.2 Å²	94.2	55%	0.548	49%	0.487	S	S	.	.	H	α-helix	trans	-61.9	-44.1	177.7	-70.6	-174.8	-178.6	178	0	111.2	Y620 Y626 I627	Y620-K623 WeakPolarHBondContact O-CA 3.21Å; Y620-K623 PolarHBondContact O-N 3Å; K623-Y626 PolarHBondContact O-N 2.86Å; K623-I627 WeakPolarHBondContact O-CB 3.5Å; K623-I627 VanDerWaalsContact O-CG1 3.23Å; K623-I627 WeakPolarHBondContact O-CG1 3.38Å; K623-I627 PolarHBondContact O-N 2.92Å
624	V	73.2	Confident	79	Confident	67 Å²	67	93.6 Å²	93.6	41%	0.406	49%	0.487	S	S	.	.	H	α-helix	trans	-64.1	-43.7	176.5	178.3	0	0	0	0	110.9	L619 Y620 M622 Y626 I627 A628	L619-V624 HydrophobicContact CB-CG2 3.51Å; L619-V624 WeakPolarHBondContact O-CG2 3.41Å; Y620-V624 PolarHBondContact O-N 2.83Å; Y620-V624 VanDerWaalsContact O-N 3.11Å; M622-V624 PolarHBondContact O-N 3.24Å; V624-Y626 PolarHBondContact O-N 2.86Å; V624-I627 PolarHBondContact O-N 3.21Å; V624-A628 WeakPolarHBondContact O-CB 3.24Å; V624-A628 PolarHBondContact O-N 2.78Å
625	L	79.9	Confident	79.3	Confident	90 Å²	90	93.1 Å²	93.1	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-43.4	175.3	-176.1	67.3	0	0	0	111.5	N621 M622 A628 I629	N621-L625 WeakPolarHBondContact O-CB 3.47Å; N621-L625 PolarHBondContact O-N 2.84Å; N621-L625 VanDerWaalsContact O-N 3.1Å; M622-L625 PolarHBondContact O-N 3.2Å; L625-A628 PolarHBondContact O-N 2.9Å; L625-I629 HydrophobicContact CD1-CD1 4.24Å; L625-I629 HydrophobicContact CD1-CG1 4.45Å; L625-I629 HydrophobicContact CD2-CD1 4.4Å; L625-I629 HydrophobicContact CG-CD1 3.81Å; L625-I629 HydrophobicContact CG-CG1 4.41Å; L625-I629 WeakPolarHBondContact O-CB 3.33Å; L625-I629 WeakPolarHBondContact O-CG1 3.28Å; L625-I629 PolarHBondContact O-N 2.85Å
626	Y	84	Confident	79.9	Confident	141 Å²	141	94.7 Å²	94.7	55%	0.553	50%	0.499	S	S	*	.	H	α-helix	trans	-63.3	-43	175.9	-68.3	-48.6	0	0	0	111.6	M622 K623 V624 I629 T630	M622-Y626 VanDerWaalsContact C-CD2 3.49Å; M622-Y626 HydrophobicContact CB-CD2 4.22Å; M622-Y626 HydrophobicContact CB-CE2 3.77Å; M622-Y626 WeakPolarHBondContact O-CB 3.49Å; M622-Y626 WeakPolarHBondContact O-CD2 3.39Å; M622-Y626 PolarHBondContact O-N 3.08Å; K623-Y626 PolarHBondContact O-N 2.86Å; V624-Y626 PolarHBondContact O-N 2.86Å; Y626-I629 PolarHBondContact O-N 2.96Å; Y626-T630 VanDerWaalsContact O-CB 3.31Å; Y626-T630 WeakPolarHBondContact O-CB 3.36Å; Y626-T630 PolarHBondContact O-N 3.43Å; Y626-T630 PolarHBondContact O-OG1 2.88Å
627	I	86.4	Confident	80.7	Confident	115 Å²	115	94.4 Å²	94.4	59%	0.59	50%	0.498	S	S	*	.	H	α-helix	trans	-62.2	-45.2	175.4	-68.7	163.8	0	0	0	110.3	K623 V624 T630 L631	K623-I627 WeakPolarHBondContact O-CB 3.5Å; K623-I627 VanDerWaalsContact O-CG1 3.23Å; K623-I627 WeakPolarHBondContact O-CG1 3.38Å; K623-I627 PolarHBondContact O-N 2.92Å; V624-I627 PolarHBondContact O-N 3.21Å; I627-T630 PolarHBondContact O-N 2.91Å; I627-L631 VanDerWaalsContact O-CB 3.32Å; I627-L631 WeakPolarHBondContact O-CB 3.34Å; I627-L631 PolarHBondContact O-N 2.63Å
628	A	87.5	Confident	82.1	Confident	51 Å²	51	96.1 Å²	96.1	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-63.1	-42.7	177.5	0	0	0	0	0	112.1	V624 L625 L631 L632	V624-A628 WeakPolarHBondContact O-CB 3.24Å; V624-A628 PolarHBondContact O-N 2.78Å; L625-A628 PolarHBondContact O-N 2.9Å; A628-L631 PolarHBondContact O-N 3.11Å; A628-L632 WeakPolarHBondContact O-CB 3.46Å; A628-L632 PolarHBondContact O-N 2.96Å
629	I	92.3	Very high	83.9	Confident	78 Å²	78	97.5 Å²	97.5	40%	0.4	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-46.3	173.8	-71.2	166.8	0	0	0	110.1	L625 Y626 L631 L632 C633	L625-I629 HydrophobicContact CD1-CD1 4.24Å; L625-I629 HydrophobicContact CD1-CG1 4.45Å; L625-I629 HydrophobicContact CD2-CD1 4.4Å; L625-I629 HydrophobicContact CG-CD1 3.81Å; L625-I629 HydrophobicContact CG-CG1 4.41Å; L625-I629 WeakPolarHBondContact O-CB 3.33Å; L625-I629 WeakPolarHBondContact O-CG1 3.28Å; L625-I629 PolarHBondContact O-N 2.85Å; Y626-I629 PolarHBondContact O-N 2.96Å; I629-L631 VanDerWaalsContact C-N 3.35Å; I629-L631 PolarHBondContact O-N 2.91Å; I629-L632 WeakPolarHBondContact O-CB 3.37Å; I629-L632 PolarHBondContact O-N 2.87Å; I629-C633 WeakPolarHBondContact O-CB 3.43Å; I629-C633 PolarHBondContact O-N 2.76Å; I629-C633 PolarHBondContact O-SG 3.5Å
630	T	93.2	Very high	85.9	Confident	78 Å²	78	95.6 Å²	95.6	48%	0.479	50%	0.504	S	S	.	.	H	α-helix	trans	-63.1	-43.7	-179.3	-50.2	0	0	0	0	110.6	Y626 I627 C633 I634	Y626-T630 VanDerWaalsContact O-CB 3.31Å; Y626-T630 WeakPolarHBondContact O-CB 3.36Å; Y626-T630 PolarHBondContact O-N 3.43Å; Y626-T630 PolarHBondContact O-OG1 2.88Å; I627-T630 PolarHBondContact O-N 2.91Å; T630-C633 PolarHBondContact O-N 3.38Å; T630-I634 HydrophobicContact CG2-CD1 4.19Å; T630-I634 VanDerWaalsContact O-CG1 3.28Å; T630-I634 WeakPolarHBondContact O-CG1 3.42Å; T630-I634 PolarHBondContact O-N 2.82Å
631	L	95.5	Very high	87.9	Confident	107 Å²	107	94.5 Å²	94.5	56%	0.56	50%	0.504	S	S	*	.	H	α-helix	trans	-61.3	-44.8	174.4	-174.3	71.6	0	0	0	111.4	I627 A628 I629 C633 I634 C635	I627-L631 VanDerWaalsContact O-CB 3.32Å; I627-L631 WeakPolarHBondContact O-CB 3.34Å; I627-L631 PolarHBondContact O-N 2.63Å; A628-L631 PolarHBondContact O-N 3.11Å; I629-L631 VanDerWaalsContact C-N 3.35Å; I629-L631 PolarHBondContact O-N 2.91Å; L631-C633 PolarHBondContact O-N 2.79Å; L631-I634 PolarHBondContact O-N 2.75Å; L631-C635 PolarHBondContact O-N 2.82Å; L631-C635 PolarHBondContact O-SG 2.9Å
632	L	96.2	Very high	89.9	Confident	107 Å²	107	92.6 Å²	92.6	56%	0.56	49%	0.493	S	S	*	.	H	α-helix	trans	-60.8	-45	176.5	-173.1	75.9	0	0	0	111.3	A628 I629 I634 C635 I636	A628-L632 WeakPolarHBondContact O-CB 3.46Å; A628-L632 PolarHBondContact O-N 2.96Å; I629-L632 WeakPolarHBondContact O-CB 3.37Å; I629-L632 PolarHBondContact O-N 2.87Å; L632-I634 VanDerWaalsContact C-N 3.34Å; L632-I634 PolarHBondContact O-N 2.95Å; L632-C635 PolarHBondContact O-N 3.4Å; L632-I636 HydrophobicContact CD2-CD1 4.48Å; L632-I636 HydrophobicContact CG-CD1 4.03Å; L632-I636 VanDerWaalsContact O-CG1 3.29Å; L632-I636 WeakPolarHBondContact O-CG1 3.47Å; L632-I636 PolarHBondContact O-N 2.81Å
633	C	96.6	Very high	91.6	Very high	74 Å²	74	89.3 Å²	89.3	50%	0.5	49%	0.487	S	S	.	.	H	α-helix	trans	-60.7	-42.2	176	-71.3	0	0	0	0	111.9	I629 T630 L631 I636 L637	I629-C633 WeakPolarHBondContact O-CB 3.43Å; I629-C633 PolarHBondContact O-N 2.76Å; I629-C633 PolarHBondContact O-SG 3.5Å; T630-C633 PolarHBondContact O-N 3.38Å; L631-C633 PolarHBondContact O-N 2.79Å; C633-I636 PolarHBondContact O-N 2.86Å; C633-L637 WeakPolarHBondContact O-CB 3.27Å; C633-L637 PolarHBondContact O-N 3.39Å
634	I	96.7	Very high	92.9	Very high	77 Å²	77	87.3 Å²	87.3	40%	0.395	48%	0.481	S	S	.	.	H	α-helix	trans	-63.8	-45.5	175.6	-69	165.8	0	0	0	110.5	T630 L631 L632 I636 L637 L638	T630-I634 HydrophobicContact CG2-CD1 4.19Å; T630-I634 VanDerWaalsContact O-CG1 3.28Å; T630-I634 WeakPolarHBondContact O-CG1 3.42Å; T630-I634 PolarHBondContact O-N 2.82Å; L631-I634 PolarHBondContact O-N 2.75Å; L632-I634 VanDerWaalsContact C-N 3.34Å; L632-I634 PolarHBondContact O-N 2.95Å; I634-I636 PolarHBondContact O-N 2.79Å; I634-L637 PolarHBondContact O-N 2.57Å; I634-L638 HydrophobicContact CG2-CD1 4.01Å; I634-L638 HydrophobicContact CG2-CG 4.39Å; I634-L638 WeakPolarHBondContact O-CB 3.28Å; I634-L638 VanDerWaalsContact O-CG 3.32Å; I634-L638 WeakPolarHBondContact O-CG 3.42Å; I634-L638 PolarHBondContact O-N 3.18Å
635	C	97.1	Very high	93.9	Very high	63 Å²	63	89.2 Å²	89.2	43%	0.426	49%	0.489	S	S	.	.	H	α-helix	trans	-60	-44	176.7	-71.9	0	0	0	0	112	L631 L632 L638 V639	L631-C635 PolarHBondContact O-N 2.82Å; L631-C635 PolarHBondContact O-SG 2.9Å; L632-C635 PolarHBondContact O-N 3.4Å; C635-L638 PolarHBondContact O-N 2.88Å; C635-V639 VanDerWaalsContact O-CG2 3.3Å; C635-V639 WeakPolarHBondContact O-CG2 3.37Å; C635-V639 PolarHBondContact O-N 2.83Å
636	I	97.3	Very high	94.6	Very high	90 Å²	90	88.9 Å²	88.9	46%	0.462	49%	0.485	S	S	.	.	H	α-helix	trans	-63.4	-45.1	176.8	-68.5	166.3	0	0	0	110.7	L632 C633 I634 L638 V639 I640	L632-I636 HydrophobicContact CD2-CD1 4.48Å; L632-I636 HydrophobicContact CG-CD1 4.03Å; L632-I636 VanDerWaalsContact O-CG1 3.29Å; L632-I636 WeakPolarHBondContact O-CG1 3.47Å; L632-I636 PolarHBondContact O-N 2.81Å; C633-I636 PolarHBondContact O-N 2.86Å; I634-I636 PolarHBondContact O-N 2.79Å; I636-L638 VanDerWaalsContact C-N 3.33Å; I636-L638 PolarHBondContact O-N 2.87Å; I636-V639 PolarHBondContact O-N 2.87Å; I636-I640 HydrophobicContact CG2-CD1 3.88Å; I636-I640 HydrophobicContact CG2-CG1 4.48Å; I636-I640 WeakPolarHBondContact O-CG1 3.47Å; I636-I640 PolarHBondContact O-N 3.17Å
637	L	97.2	Very high	95.1	Very high	104 Å²	104	89.2 Å²	89.2	55%	0.545	49%	0.485	S	S	.	.	H	α-helix	trans	-58.8	-45.2	176.5	-174.8	106.1	0	0	0	111.2	C633 I634 I640 I641	C633-L637 WeakPolarHBondContact O-CB 3.27Å; C633-L637 PolarHBondContact O-N 3.39Å; I634-L637 PolarHBondContact O-N 2.57Å; L637-I640 PolarHBondContact O-N 2.75Å; L637-I641 HydrophobicContact CD2-CD1 3.87Å; L637-I641 HydrophobicContact CG-CD1 4.02Å; L637-I641 VanDerWaalsContact O-CG1 3.3Å; L637-I641 WeakPolarHBondContact O-CG1 3.23Å; L637-I641 PolarHBondContact O-N 2.73Å
638	L	96.9	Very high	95.5	Very high	89 Å²	89	88.5 Å²	88.5	47%	0.466	48%	0.478	S	S	.	.	H	α-helix	trans	-62.2	-43.3	176.5	-72.2	173.1	0	0	0	111.7	I634 C635 I636 I640 I641 I642	I634-L638 HydrophobicContact CG2-CD1 4.01Å; I634-L638 HydrophobicContact CG2-CG 4.39Å; I634-L638 WeakPolarHBondContact O-CB 3.28Å; I634-L638 VanDerWaalsContact O-CG 3.32Å; I634-L638 WeakPolarHBondContact O-CG 3.42Å; I634-L638 PolarHBondContact O-N 3.18Å; C635-L638 PolarHBondContact O-N 2.88Å; I636-L638 VanDerWaalsContact C-N 3.33Å; I636-L638 PolarHBondContact O-N 2.87Å; L638-I640 VanDerWaalsContact C-N 3.33Å; L638-I640 PolarHBondContact O-N 3.24Å; L638-I641 PolarHBondContact O-N 3.44Å; L638-I642 WeakPolarHBondContact O-CB 3.24Å; L638-I642 WeakPolarHBondContact O-CD1 3.37Å; L638-I642 WeakPolarHBondContact O-CG1 3.45Å; L638-I642 PolarHBondContact O-N 3.07Å
639	V	97.1	Very high	95.7	Very high	103 Å²	103	90.7 Å²	90.7	62%	0.624	48%	0.48	S	S	*	.	H	α-helix	trans	-62.2	-39.6	176	170.2	0	0	0	0	111.7	C635 I636 G643	C635-V639 VanDerWaalsContact O-CG2 3.3Å; C635-V639 WeakPolarHBondContact O-CG2 3.37Å; C635-V639 PolarHBondContact O-N 2.83Å; I636-V639 PolarHBondContact O-N 2.87Å; V639-G643 PolarHBondContact O-N 3.19Å
640	I	97.4	Very high	95.7	Very high	96 Å²	96	92.4 Å²	92.4	49%	0.492	48%	0.484	S	S	.	.	H	α-helix	trans	-65	-46.5	176	-68.7	166.7	0	0	0	110.7	I636 L637 L638 G643 I644	I636-I640 HydrophobicContact CG2-CD1 3.88Å; I636-I640 HydrophobicContact CG2-CG1 4.48Å; I636-I640 WeakPolarHBondContact O-CG1 3.47Å; I636-I640 PolarHBondContact O-N 3.17Å; L637-I640 PolarHBondContact O-N 2.75Å; L638-I640 VanDerWaalsContact C-N 3.33Å; L638-I640 PolarHBondContact O-N 3.24Å; I640-G643 PolarHBondContact O-N 3.3Å; I640-I644 HydrophobicContact CG2-CD1 3.81Å; I640-I644 HydrophobicContact CG2-CG1 4.45Å; I640-I644 VanDerWaalsContact O-CG1 3.3Å; I640-I644 WeakPolarHBondContact O-CG1 3.37Å; I640-I644 PolarHBondContact O-N 3.01Å
641	I	96.6	Very high	95.6	Very high	77 Å²	77	95.4 Å²	95.4	40%	0.395	49%	0.487	S	S	.	.	H	α-helix	trans	-60.6	-48.9	178.3	-68.9	166.4	0	0	0	110.2	L637 L638 G643 I644 L645	L637-I641 HydrophobicContact CD2-CD1 3.87Å; L637-I641 HydrophobicContact CG-CD1 4.02Å; L637-I641 VanDerWaalsContact O-CG1 3.3Å; L637-I641 WeakPolarHBondContact O-CG1 3.23Å; L637-I641 PolarHBondContact O-N 2.73Å; L638-I641 PolarHBondContact O-N 3.44Å; I641-G643 VanDerWaalsContact C-N 3.31Å; I641-G643 PolarHBondContact O-N 2.95Å; I641-I644 PolarHBondContact O-N 3.1Å; I641-L645 HydrophobicContact CG2-CD1 3.98Å; I641-L645 WeakPolarHBondContact O-CG 3.3Å; I641-L645 PolarHBondContact O-N 2.92Å
642	I	96.1	Very high	95.4	Very high	102 Å²	102	96.6 Å²	96.6	52%	0.523	49%	0.49	S	S	.	.	H	α-helix	trans	-60.1	-43.3	177	-67.5	165	0	0	0	110.2	L638 I644 L645 Q646	L638-I642 WeakPolarHBondContact O-CB 3.24Å; L638-I642 WeakPolarHBondContact O-CD1 3.37Å; L638-I642 WeakPolarHBondContact O-CG1 3.45Å; L638-I642 PolarHBondContact O-N 3.07Å; I642-I644 PolarHBondContact O-N 2.6Å; I642-L645 PolarHBondContact O-N 3.3Å; I642-Q646 WeakPolarHBondContact O-CB 3.01Å; I642-Q646 PolarHBondContact O-N 2.88Å
643	G	96.7	Very high	95.1	Very high	40 Å²	40	94.5 Å²	94.5	41%	0.412	48%	0.479	S	S	.	.	H	α-helix	trans	-62.5	-39.8	177.7	0	0	0	0	0	113.5	V639 I640 I641 W647	V639-G643 PolarHBondContact O-N 3.19Å; I640-G643 PolarHBondContact O-N 3.3Å; I641-G643 VanDerWaalsContact C-N 3.31Å; I641-G643 PolarHBondContact O-N 2.95Å; G643-W647 WeakPolarHBondContact O-CB 3.49Å; G643-W647 PolarHBondContact O-N 3.28Å
644	I	96.5	Very high	94.8	Very high	84 Å²	84	99.7 Å²	99.7	43%	0.431	49%	0.488	S	S	.	.	H	α-helix	trans	-66.6	-43.9	175.3	-69.2	167	0	0	0	110.7	I640 I641 I642 W647 F648	I640-I644 HydrophobicContact CG2-CD1 3.81Å; I640-I644 HydrophobicContact CG2-CG1 4.45Å; I640-I644 VanDerWaalsContact O-CG1 3.3Å; I640-I644 WeakPolarHBondContact O-CG1 3.37Å; I640-I644 PolarHBondContact O-N 3.01Å; I641-I644 PolarHBondContact O-N 3.1Å; I642-I644 PolarHBondContact O-N 2.6Å; I644-W647 WeakPolarHBondContact O-CB 3.49Å; I644-W647 PolarHBondContact O-N 2.79Å; I644-F648 HydrophobicContact CG2-CD2 3.93Å; I644-F648 HydrophobicContact CG2-CE2 3.56Å; I644-F648 HydrophobicContact CG2-CZ 4.27Å; I644-F648 WeakPolarHBondContact O-CD2 3.3Å; I644-F648 PolarHBondContact O-N 2.88Å
645	L	95.4	Very high	94.3	Very high	108 Å²	108	100 Å²	100	57%	0.565	49%	0.49	S	S	*	.	H	α-helix	trans	-63.3	-45.4	177.4	-70.1	172	0	0	0	111.3	I641 I642 W647 F648 E649	I641-L645 HydrophobicContact CG2-CD1 3.98Å; I641-L645 WeakPolarHBondContact O-CG 3.3Å; I641-L645 PolarHBondContact O-N 2.92Å; I642-L645 PolarHBondContact O-N 3.3Å; L645-W647 VanDerWaalsContact C-N 3.26Å; L645-W647 PolarHBondContact O-N 3.13Å; L645-F648 PolarHBondContact O-N 3.16Å; L645-F648 VanDerWaalsContact O-N 3.15Å; L645-E649 PolarHBondContact O-N 3.04Å
646	Q	94.5	Very high	93.8	Very high	82 Å²	82	102.6 Å²	102.6	38%	0.383	50%	0.496	S	S	.	.	H	α-helix	trans	-61.6	-36.1	175.6	-162.8	68.1	42.7	0	0	111.8	I642 E649 F650	I642-Q646 WeakPolarHBondContact O-CB 3.01Å; I642-Q646 PolarHBondContact O-N 2.88Å; Q646-E649 PolarHBondContact NE2-OE2 3.19Å; Q646-E649 PolarHBondContact O-N 3.35Å; Q646-E649 PolarHBondContact OE1-OE2 2.75Å; Q646-F650 HydrophobicContact CG-CD2 3.96Å; Q646-F650 HydrophobicContact CG-CE2 3.66Å; Q646-F650 WeakPolarHBondContact O-CD2 3.27Å; Q646-F650 PolarHBondContact O-N 2.95Å
647	W	94	Very high	93.3	Very high	149 Å²	149	105 Å²	105	56%	0.564	50%	0.503	S	S	*	.	H	α-helix	trans	-67	-39.7	175.7	-178.4	77.8	0	0	0	112.4	G643 I644 L645 R651	G643-W647 WeakPolarHBondContact O-CB 3.49Å; G643-W647 PolarHBondContact O-N 3.28Å; I644-W647 WeakPolarHBondContact O-CB 3.49Å; I644-W647 PolarHBondContact O-N 2.79Å; L645-W647 VanDerWaalsContact C-N 3.26Å; L645-W647 PolarHBondContact O-N 3.13Å; W647-R651 WeakPolarHBondContact O-CB 3.35Å; W647-R651 PolarHBondContact O-N 3.22Å; W647-R651 VanDerWaalsContact O-N 3.1Å
648	F	93.8	Very high	92.7	Very high	99 Å²	99	105.6 Å²	105.6	43%	0.434	50%	0.503	S	S	.	.	H	α-helix	trans	-65.5	-43	173.3	-73.4	-43.1	0	0	0	112	I644 L645 F650 R651 E652	I644-F648 HydrophobicContact CG2-CD2 3.93Å; I644-F648 HydrophobicContact CG2-CE2 3.56Å; I644-F648 HydrophobicContact CG2-CZ 4.27Å; I644-F648 WeakPolarHBondContact O-CD2 3.3Å; I644-F648 PolarHBondContact O-N 2.88Å; L645-F648 PolarHBondContact O-N 3.16Å; L645-F648 VanDerWaalsContact O-N 3.15Å; F648-F650 PolarHBondContact O-N 3.27Å; F648-R651 WeakPolarHBondContact O-CB 3.31Å; F648-R651 PolarHBondContact O-N 2.69Å; F648-R651 VanDerWaalsContact O-N 3.1Å; F648-E652 PolarHBondContact O-N 2.88Å
649	E	92.4	Very high	92	Very high	98 Å²	98	108.3 Å²	108.3	46%	0.458	51%	0.511	S	S	.	.	H	α-helix	trans	-58.6	-49.3	175.2	-172.8	-177.7	-160.5	0	0	111.1	L645 Q646 R651 E652 D653	L645-E649 PolarHBondContact O-N 3.04Å; Q646-E649 PolarHBondContact NE2-OE2 3.19Å; Q646-E649 PolarHBondContact O-N 3.35Å; Q646-E649 PolarHBondContact OE1-OE2 2.75Å; E649-R651 PolarHBondContact O-N 2.62Å; E649-R651 VanDerWaalsContact O-N 3.17Å; E649-E652 PolarHBondContact O-N 3.22Å; E649-E652 VanDerWaalsContact O-N 3.12Å; E649-D653 PolarHBondContact O-N 2.98Å
650	F	92.4	Very high	91.3	Very high	114 Å²	114	108.9 Å²	108.9	50%	0.5	51%	0.507	S	S	.	.	H	α-helix	trans	-60.4	-30.2	176.2	-83.1	-52	0	0	0	113.6	Q646 F648 R654	Q646-F650 HydrophobicContact CG-CD2 3.96Å; Q646-F650 HydrophobicContact CG-CE2 3.66Å; Q646-F650 WeakPolarHBondContact O-CD2 3.27Å; Q646-F650 PolarHBondContact O-N 2.95Å; F648-F650 PolarHBondContact O-N 3.27Å; F650-R654 VanDerWaalsContact O-CG 3.27Å; F650-R654 WeakPolarHBondContact O-CG 3.49Å; F650-R654 PolarHBondContact O-N 2.94Å
651	R	91.6	Very high	90.5	Very high	141 Å²	141	107.5 Å²	107.5	53%	0.532	51%	0.506	S	S	.	.	H	α-helix	trans	-73.8	-41.1	177.3	-173.9	180	174.2	-170.1	-3.3	110.9	W647 F648 E649 R654 L655	W647-R651 WeakPolarHBondContact O-CB 3.35Å; W647-R651 PolarHBondContact O-N 3.22Å; W647-R651 VanDerWaalsContact O-N 3.1Å; F648-R651 WeakPolarHBondContact O-CB 3.31Å; F648-R651 PolarHBondContact O-N 2.69Å; F648-R651 VanDerWaalsContact O-N 3.1Å; E649-R651 PolarHBondContact O-N 2.62Å; E649-R651 VanDerWaalsContact O-N 3.17Å; R651-R654 PolarHBondContact O-N 2.94Å; R651-L655 WeakPolarHBondContact O-CG 3.22Å; R651-L655 PolarHBondContact O-N 2.91Å
652	E	90.8	Very high	89.6	Confident	132 Å²	132	110.1 Å²	110.1	62%	0.617	52%	0.516	S	S	*	.	H	α-helix	trans	-65.6	-45.9	175.6	-71.5	-175.4	167.4	0	0	111.4	F648 E649 R654 L655 E656	F648-E652 PolarHBondContact O-N 2.88Å; E649-E652 PolarHBondContact O-N 3.22Å; E649-E652 VanDerWaalsContact O-N 3.12Å; E652-R654 VanDerWaalsContact C-N 3.27Å; E652-R654 PolarHBondContact O-N 3.39Å; E652-L655 CarbonylContact O-C 3.28Å; E652-L655 WeakPolarHBondContact O-CA 3.44Å; E652-L655 WeakPolarHBondContact O-CB 3.16Å; E652-L655 PolarHBondContact O-N 3.25Å; E652-E656 PolarHBondContact O-N 3.21Å
653	D	90	Very high	88.5	Confident	63 Å²	63	113.9 Å²	113.9	34%	0.337	52%	0.524	S	S	.	.	H	α-helix	trans	-54.4	-41.8	173.9	-90.6	7	0	0	0	112.9	E649 L655 E656 K657	E649-D653 PolarHBondContact O-N 2.98Å; D653-L655 VanDerWaalsContact C-N 3.33Å; D653-E656 PolarHBondContact O-N 2.89Å; D653-K657 WeakPolarHBondContact O-CB 3.43Å; D653-K657 WeakPolarHBondContact O-CG 3.11Å; D653-K657 PolarHBondContact O-N 2.96Å
654	R	89.2	Confident	87	Confident	182 Å²	182	119.3 Å²	119.3	69%	0.687	54%	0.536	S	S	*	.	H	α-helix	trans	-65.4	-39	176.9	-77.9	177.6	-170.8	-162.6	3.9	111.5	F650 R651 E652 Q658	F650-R654 VanDerWaalsContact O-CG 3.27Å; F650-R654 WeakPolarHBondContact O-CG 3.49Å; F650-R654 PolarHBondContact O-N 2.94Å; R651-R654 PolarHBondContact O-N 2.94Å; E652-R654 VanDerWaalsContact C-N 3.27Å; E652-R654 PolarHBondContact O-N 3.39Å; R654-Q658 VanDerWaalsContact O-CG 3.3Å; R654-Q658 WeakPolarHBondContact O-CG 3.43Å; R654-Q658 PolarHBondContact O-N 2.84Å; R654-Q658 VanDerWaalsContact O-N 3.16Å
655	L	88.1	Confident	85.3	Confident	84 Å²	84	122.1 Å²	122.1	44%	0.44	55%	0.547	S	S	.	.	H	α-helix	trans	-69.4	-37.5	177.3	-69.2	168.9	0	0	0	111.4	R651 E652 D653 Q658 K659	R651-L655 WeakPolarHBondContact O-CG 3.22Å; R651-L655 PolarHBondContact O-N 2.91Å; E652-L655 CarbonylContact O-C 3.28Å; E652-L655 WeakPolarHBondContact O-CA 3.44Å; E652-L655 WeakPolarHBondContact O-CB 3.16Å; E652-L655 PolarHBondContact O-N 3.25Å; D653-L655 VanDerWaalsContact C-N 3.33Å; L655-Q658 PolarHBondContact O-N 3.44Å; L655-K659 WeakPolarHBondContact O-CG 3.48Å; L655-K659 PolarHBondContact O-N 2.83Å; L655-K659 VanDerWaalsContact O-N 3.16Å
656	E	86.5	Confident	83.5	Confident	117 Å²	117	124.6 Å²	124.6	55%	0.547	55%	0.554	S	S	.	*	H	α-helix	trans	-66.8	-47.3	174.8	-71.6	-165.8	162.3	0	0	112.3	E652 D653 Q658 K659 E660	E652-E656 PolarHBondContact O-N 3.21Å; D653-E656 PolarHBondContact O-N 2.89Å; E656-Q658 PolarHBondContact O-N 2.86Å; E656-K659 WeakPolarHBondContact O-CA 3.37Å; E656-K659 WeakPolarHBondContact O-CB 3.22Å; E656-K659 PolarHBondContact O-N 3.5Å; E656-E660 PolarHBondContact O-N 2.89Å
657	K	85.6	Confident	81.8	Confident	140 Å²	140	126.8 Å²	126.8	61%	0.609	57%	0.568	S	S	*	*	H	α-helix	trans	-58	-34.9	175.2	-73.9	175	-176.7	172.3	0	112.8	D653 S661	D653-K657 WeakPolarHBondContact O-CB 3.43Å; D653-K657 WeakPolarHBondContact O-CG 3.11Å; D653-K657 PolarHBondContact O-N 2.96Å; K657-S661 WeakPolarHBondContact O-CB 3.47Å; K657-S661 PolarHBondContact O-N 3.05Å; K657-S661 PolarHBondContact O-OG 2.63Å
658	Q	84.1	Confident	80.3	Confident	117 Å²	117	123.9 Å²	123.9	55%	0.547	58%	0.576	S	S	.	*	H	α-helix	trans	-67	-40.2	173.9	-76.7	177.5	-9.4	0	0	111.9	R654 L655 E656 S661 Q662	R654-Q658 VanDerWaalsContact O-CG 3.3Å; R654-Q658 WeakPolarHBondContact O-CG 3.43Å; R654-Q658 PolarHBondContact O-N 2.84Å; R654-Q658 VanDerWaalsContact O-N 3.16Å; L655-Q658 PolarHBondContact O-N 3.44Å; E656-Q658 PolarHBondContact O-N 2.86Å; Q658-S661 PolarHBondContact O-OG 2.87Å; Q658-Q662 WeakPolarHBondContact O-CG 3.47Å; Q658-Q662 PolarHBondContact O-N 2.84Å
659	K	84.1	Confident	78.3	Confident	146 Å²	146	129.4 Å²	129.4	64%	0.635	61%	0.606	S	S	*	*	H	α-helix	trans	-68.1	-41.5	176.3	-69.3	170.5	-176.6	174.1	0	112.1	L655 E656 Q662 R663	L655-K659 WeakPolarHBondContact O-CG 3.48Å; L655-K659 PolarHBondContact O-N 2.83Å; L655-K659 VanDerWaalsContact O-N 3.16Å; E656-K659 WeakPolarHBondContact O-CA 3.37Å; E656-K659 WeakPolarHBondContact O-CB 3.22Å; E656-K659 PolarHBondContact O-N 3.5Å; K659-Q662 PolarHBondContact O-N 2.79Å; K659-R663 PolarHBondContact O-N 2.87Å; K659-R663 VanDerWaalsContact O-N 3.1Å
660	E	81.1	Confident	77.6	Confident	116 Å²	116	131 Å²	131	54%	0.542	61%	0.613	S	S	.	*	H	α-helix	trans	-66.3	-43.7	177.7	-72.2	-171.1	154	0	0	112.4	E656 Q662 R663 F664	E656-E660 PolarHBondContact O-N 2.89Å; E660-Q662 PolarHBondContact O-N 2.81Å; E660-R663 WeakPolarHBondContact O-CB 3.36Å; E660-R663 PolarHBondContact O-N 2.83Å; E660-F664 WeakPolarHBondContact O-CD2 3.49Å; E660-F664 PolarHBondContact O-N 2.82Å; E660-F664 VanDerWaalsContact O-N 3.12Å
661	S	80.6	Confident	76.9	Confident	66 Å²	66	131.8 Å²	131.8	46%	0.462	62%	0.619	S	S	.	*	H	α-helix	trans	-62.1	-32.3	177.9	59.7	0	0	0	0	112.5	K657 Q658 H665	K657-S661 WeakPolarHBondContact O-CB 3.47Å; K657-S661 PolarHBondContact O-N 3.05Å; K657-S661 PolarHBondContact O-OG 2.63Å; Q658-S661 PolarHBondContact O-OG 2.87Å; S661-H665 PolarHBondContact O-CD2 2.88Å
662	Q	77.9	Confident	76	Confident	132 Å²	132	131.3 Å²	131.3	62%	0.617	62%	0.624	S	S	*	*	H	α-helix	trans	-71.3	-33.2	171.4	-70.5	178.8	-4.8	0	0	112.8	Q658 K659 E660 H665 F666	Q658-Q662 WeakPolarHBondContact O-CG 3.47Å; Q658-Q662 PolarHBondContact O-N 2.84Å; K659-Q662 PolarHBondContact O-N 2.79Å; E660-Q662 PolarHBondContact O-N 2.81Å; Q662-H665 PolarHBondContact O-N 3.37Å; Q662-F666 WeakPolarHBondContact O-CD2 3.28Å
663	R	74.3	Confident	75.2	Confident	182 Å²	182	131.3 Å²	131.3	69%	0.687	62%	0.624	S	S	*	*	H	α-helix	trans	-66.9	-41.9	178.6	-164.4	177.2	-176.3	176	2.3	112.5	K659 E660 H665 F666 D667	K659-R663 PolarHBondContact O-N 2.87Å; K659-R663 VanDerWaalsContact O-N 3.1Å; E660-R663 WeakPolarHBondContact O-CB 3.36Å; E660-R663 PolarHBondContact O-N 2.83Å; R663-H665 PolarHBondContact O-N 3.3Å; R663-F666 PolarHBondContact O-N 3.13Å; R663-D667 PolarHBondContact O-N 2.67Å; R663-D667 VanDerWaalsContact O-N 3.16Å
664	F	65.3	Low	74.2	Confident	153 Å²	153	135.6 Å²	135.6	67%	0.671	64%	0.642	S	S	*	*	H	α-helix	trans	-61.9	-29.9	177	-76.3	-71.1	0	0	0	113.5	E660 F666 A668	E660-F664 WeakPolarHBondContact O-CD2 3.49Å; E660-F664 PolarHBondContact O-N 2.82Å; E660-F664 VanDerWaalsContact O-N 3.12Å; F664-F666 VanDerWaalsContact C-N 3.32Å; F664-A668 WeakPolarHBondContact O-CB 3.34Å; F664-A668 PolarHBondContact O-N 3.38Å
665	H	59.2	Low	73.2	Confident	143 Å²	143	132.5 Å²	132.5	66%	0.662	64%	0.639	S	S	*	*	H	α-helix	trans	-71.7	-26.2	174.5	-85.1	-69.6	0	0	0	113.3	S661 Q662 R663	S661-H665 PolarHBondContact O-CD2 2.88Å; Q662-H665 PolarHBondContact O-N 3.37Å; R663-H665 PolarHBondContact O-N 3.3Å
666	F	59.1	Low	72.2	Confident	161 Å²	161	135.9 Å²	135.9	71%	0.706	65%	0.654	S	S	*	*	H	α-helix	trans	-83.2	-35.2	177.1	-89.1	-80.6	0	0	0	113.3	Q662 R663 F664 A668 M669	Q662-F666 WeakPolarHBondContact O-CD2 3.28Å; R663-F666 PolarHBondContact O-N 3.13Å; F664-F666 VanDerWaalsContact C-N 3.32Å; F666-A668 VanDerWaalsContact C-N 3.26Å; F666-A668 PolarHBondContact O-N 2.76Å; F666-M669 PolarHBondContact O-N 2.67Å
667	D	58.3	Low	71.1	Confident	128 Å²	128	137.4 Å²	137.4	68%	0.684	66%	0.662	S	S	*	*	H	α-helix	trans	-75.1	-15.3	177.2	-76.1	-22.9	0	0	0	113.1	R663	R663-D667 PolarHBondContact O-N 2.67Å; R663-D667 VanDerWaalsContact O-N 3.16Å
668	A	61.9	Low	69.9	Low	88 Å²	88	137.2 Å²	137.2	73%	0.727	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-8.2	175.8	0	0	0	0	0	114	F664 F666	F664-A668 WeakPolarHBondContact O-CB 3.34Å; F664-A668 PolarHBondContact O-N 3.38Å; F666-A668 VanDerWaalsContact C-N 3.26Å; F666-A668 PolarHBondContact O-N 2.76Å
669	M	52.7	Low	68.6	Low	214 Å²	214	139 Å²	139	100%	1.054	68%	0.677	S	S	*	*			trans	-96.1	0	170.2	-74.5	-169.8	176.7	0	0	109.9	F666	F666-M669 PolarHBondContact O-N 2.67Å

Retrieved 669 of 669 residues in 997.7 ms (Link to these results)

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