A0A077Z4U9_TRITR Loading...

Acyl coenzyme A thioesterase II

AlphaFold DB , UniProt , Accession A0A077Z4U9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 316 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	41.7	Very low	204 Å²	204	115.4 Å²	115.4	100%	1.005	58%	0.583	S	S	*	*				0	75.4	0	-164.6	-175.4	-86.9	0	0	107.5
2	F	34.7	Very low	42.7	Very low	123 Å²	123	110.3 Å²	110.3	54%	0.539	55%	0.554	S	S	.	*			trans	-102.6	101.7	-179.7	-68.9	-77.1	0	0	0	107.7	N38 L39	F2-N38 HydrophobicContact CE2-CB 4.36Å; F2-N38 WeakPolarHBondContact CE2-O 3.45Å; F2-N38 HydrophobicContact CZ-CB 4.44Å; F2-N38 WeakPolarHBondContact CZ-O 3.3Å; F2-L39 HydrophobicContact CD1-CD2 4.31Å; F2-L39 HydrophobicContact CE1-CD2 3.48Å; F2-L39 VanDerWaalsContact CE1-CD2 3.48Å; F2-L39 HydrophobicContact CE1-CG 4.43Å; F2-L39 HydrophobicContact CZ-CD2 3.97Å; F2-L39 HydrophobicContact CZ-CG 4.46Å
3	N	28.7	Very low	43.4	Very low	145 Å²	145	109.1 Å²	109.1	78%	0.775	57%	0.571	S	S	*	*			trans	-86.4	119.1	175.4	-87.8	-22.7	0	0	0	108.8
4	Q	34.1	Very low	44.5	Very low	133 Å²	133	108.4 Å²	108.4	62%	0.621	58%	0.58	S	S	*	*			trans	62.2	97.4	161.9	-58.3	-175	-13.1	0	0	115	K6	Q4-K6 HydrophobicContact CB-CB 4.38Å; Q4-K6 HydrophobicContact CB-CD 4.3Å; Q4-K6 HydrophobicContact CB-CG 4.1Å; Q4-K6 PolarHBondContact O-N 3.16Å
5	I	37.7	Very low	45.9	Very low	106 Å²	106	104.9 Å²	104.9	54%	0.544	58%	0.58	S	S	.	*			trans	-63.4	77.4	153.8	-57.1	171.2	0	0	0	106.5	R7 V87	I5-R7 VanDerWaalsContact C-N 3.34Å; I5-R7 PolarHBondContact O-N 2.85Å; I5-R7 VanDerWaalsContact O-N 3.11Å; I5-V87 HydrophobicContact CD1-CG2 4.02Å
6	K	33.1	Very low	47.6	Very low	153 Å²	153	107.5 Å²	107.5	67%	0.665	58%	0.579	S	S	*	*			trans	-85.1	80.4	-177.3	-116.1	176.3	175.7	165.2	0	108	Q4 G8	Q4-K6 HydrophobicContact CB-CB 4.38Å; Q4-K6 HydrophobicContact CB-CD 4.3Å; Q4-K6 HydrophobicContact CB-CG 4.1Å; Q4-K6 PolarHBondContact O-N 3.16Å; K6-G8 PolarHBondContact O-N 2.92Å
7	R	42.5	Very low	49.1	Very low	223 Å²	223	107.9 Å²	107.9	84%	0.842	58%	0.58	S	S	*	*	S	Bend	trans	44.5	6.8	161.1	-70.2	-171.6	177	-171	-1.8	119.9	I5 V44	I5-R7 VanDerWaalsContact C-N 3.34Å; I5-R7 PolarHBondContact O-N 2.85Å; I5-R7 VanDerWaalsContact O-N 3.11Å; R7-V44 WeakPolarHBondContact O-CG2 3.25Å
8	G	45.3	Very low	50.8	Low	47 Å²	47	103.1 Å²	103.1	49%	0.485	56%	0.556	S	S	.	*	S	Bend	trans	-174.7	129.9	178.8	0	0	0	0	0	110.3	K6	K6-G8 PolarHBondContact O-N 2.92Å
9	A	55.2	Low	52.7	Low	46 Å²	46	98.8 Å²	98.8	38%	0.38	53%	0.533	S	S	.	.	S	Bend	trans	51.3	127	179.4	0	0	0	0	0	116	V11 L17	A9-V11 PolarHBondContact O-N 3.29Å; A9-L17 HydrophobicContact CB-CD2 3.58Å
10	C	59.2	Low	54.5	Low	19 Å²	19	94.3 Å²	94.3	13%	0.128	51%	0.509	C	S	.	.			trans	-60.3	135.8	167.9	-80.9	0	0	0	0	109.7	C18 M40	C10-C18 HydrophobicContact CB-CB 3.36Å; C10-C18 WeakPolarHBondContact O-CB 3.45Å; C10-C18 PolarHBondContact O-N 3.04Å; C10-M40 VanDerWaalsContact SG-C 3.53Å; C10-M40 PolarHBondContact SG-O 2.75Å
11	V	55.3	Low	56.2	Low	70 Å²	70	90.6 Å²	90.6	42%	0.424	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-126.8	133.2	176.1	-170.7	0	0	0	0	108.1	A9 G15 R16 L17	A9-V11 PolarHBondContact O-N 3.29Å; V11-G15 VanDerWaalsContact CG1-O 3.31Å; V11-G15 WeakPolarHBondContact CG1-O 3.21Å; V11-R16 CarbonylContact C-O 3.46Å; V11-R16 WeakPolarHBondContact CA-O 3.42Å; V11-R16 WeakPolarHBondContact CG1-O 3.43Å; V11-L17 HydrophobicContact CG2-CD2 4.43Å
12	F	53.9	Low	59	Low	55 Å²	55	82.6 Å²	82.6	24%	0.241	45%	0.451	C	S	.	.			trans	-64.4	159.6	171.9	-71.9	-76.7	0	0	0	110.9	S14 G15 R16 C18 D22 L39	F12-S14 WeakPolarHBondContact CB-OG 3.34Å; F12-S14 PolarHBondContact O-N 3.1Å; F12-G15 PolarHBondContact O-N 2.75Å; F12-R16 HydrophobicContact CB-CB 4.46Å; F12-R16 HydrophobicContact CD2-CB 4.1Å; F12-R16 HydrophobicContact CD2-CG 4.12Å; F12-R16 WeakPolarHBondContact CD2-O 3.34Å; F12-R16 PolarHBondContact N-O 2.93Å; F12-C18 HydrophobicContact CE2-CB 4.34Å; F12-D22 HydrophobicContact CE2-CB 4.05Å; F12-D22 WeakPolarHBondContact CE2-OD2 3.48Å; F12-D22 HydrophobicContact CZ-CB 3.68Å; F12-L39 HydrophobicContact CE1-CD1 3.97Å; F12-L39 HydrophobicContact CZ-CD1 4.24Å
13	A	51.6	Low	61.7	Low	94 Å²	94	77 Å²	77	78%	0.777	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-21.1	173.5	0	0	0	0	0	113.4	G15	A13-G15 VanDerWaalsContact C-N 3.27Å; A13-G15 PolarHBondContact O-N 3.49Å
14	S	59.6	Low	64.8	Low	99 Å²	99	70.1 Å²	70.1	69%	0.692	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-4.3	173.5	57.8	0	0	0	0	114.8	F12 R16	F12-S14 WeakPolarHBondContact CB-OG 3.34Å; F12-S14 PolarHBondContact O-N 3.1Å; S14-R16 VanDerWaalsContact C-N 3.27Å; S14-R16 PolarHBondContact O-N 2.87Å
15	G	64.8	Low	67.6	Low	57 Å²	57	66.9 Å²	66.9	59%	0.588	37%	0.374	S	S	*	.	S	Bend	trans	82.8	-3.8	-173.5	0	0	0	0	0	114.5	V11 F12 A13	V11-G15 VanDerWaalsContact CG1-O 3.31Å; V11-G15 WeakPolarHBondContact CG1-O 3.21Å; F12-G15 PolarHBondContact O-N 2.75Å; A13-G15 VanDerWaalsContact C-N 3.27Å; A13-G15 PolarHBondContact O-N 3.49Å
16	R	72.6	Confident	70.1	Confident	146 Å²	146	62.3 Å²	62.3	55%	0.551	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-70.5	133.1	175.6	175.5	179.3	163.4	-178.3	-8.5	110.5	V11 F12 S14 C18 D22	V11-R16 CarbonylContact C-O 3.46Å; V11-R16 WeakPolarHBondContact CA-O 3.42Å; V11-R16 WeakPolarHBondContact CG1-O 3.43Å; F12-R16 HydrophobicContact CB-CB 4.46Å; F12-R16 HydrophobicContact CD2-CB 4.1Å; F12-R16 HydrophobicContact CD2-CG 4.12Å; F12-R16 WeakPolarHBondContact CD2-O 3.34Å; F12-R16 PolarHBondContact N-O 2.93Å; S14-R16 VanDerWaalsContact C-N 3.27Å; S14-R16 PolarHBondContact O-N 2.87Å; R16-C18 PolarHBondContact O-N 3.29Å; R16-D22 IonicContact NH2-OD2 2.84Å; R16-D22 PolarHBondContact NH2-OD2 3.3Å
17	L	73.4	Confident	73	Confident	114 Å²	114	55.8 Å²	55.8	60%	0.597	33%	0.325	S	S	*	.	B	Isolated β-bridge	trans	-59.6	130.3	169.5	-78.7	154.3	0	0	0	110.5	A9 V11 T19	A9-L17 HydrophobicContact CB-CD2 3.58Å; V11-L17 HydrophobicContact CG2-CD2 4.43Å; L17-T19 PolarHBondContact O-N 3.16Å
18	C	79.4	Confident	75.4	Confident	22 Å²	22	48.7 Å²	48.7	15%	0.149	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-71.5	121.5	173.4	-176.5	0	0	0	0	108.9	C10 F12 R16 D22	C10-C18 HydrophobicContact CB-CB 3.36Å; C10-C18 WeakPolarHBondContact O-CB 3.45Å; C10-C18 PolarHBondContact O-N 3.04Å; F12-C18 HydrophobicContact CE2-CB 4.34Å; R16-C18 PolarHBondContact O-N 3.29Å; C18-D22 VanDerWaalsContact SG-CB 3.58Å
19	T	86.9	Confident	77.8	Confident	21 Å²	21	52.6 Å²	52.6	13%	0.129	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-79.6	166.1	175.5	67.7	0	0	0	0	110.4	L17 D22 L23 E210	L17-T19 PolarHBondContact O-N 3.16Å; T19-D22 WeakPolarHBondContact CB-OD2 3.36Å; T19-D22 WeakPolarHBondContact CG2-OD2 3.2Å; T19-D22 PolarHBondContact N-OD2 3.16Å; T19-D22 VanDerWaalsContact N-OD2 3.08Å; T19-D22 WeakPolarHBondContact O-CB 3.31Å; T19-D22 PolarHBondContact O-N 3.41Å; T19-D22 VanDerWaalsContact O-N 3.17Å; T19-D22 PolarHBondContact OG1-N 3.02Å; T19-D22 PolarHBondContact OG1-OD2 3.09Å; T19-L23 PolarHBondContact O-N 3.45Å; T19-E210 HydrophobicContact CG2-CG 3.69Å
20	L	88.6	Confident	79.7	Confident	9 Å²	9	54.3 Å²	54.3	5%	0.047	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-44	173.7	177.5	67.1	0	0	0	112.4	D22 L23 L24 T183 F184 I223 Y226	L20-D22 VanDerWaalsContact C-N 3.29Å; L20-D22 PolarHBondContact O-N 3.5Å; L20-L23 HydrophobicContact CD1-CD2 4.24Å; L20-L23 WeakPolarHBondContact O-CB 3.4Å; L20-L23 PolarHBondContact O-N 3.31Å; L20-L23 VanDerWaalsContact O-N 3.17Å; L20-L24 HydrophobicContact CD1-CD1 4.15Å; L20-L24 HydrophobicContact CD1-CD2 4.24Å; L20-L24 HydrophobicContact CD1-CG 3.93Å; L20-L24 HydrophobicContact CG-CD1 4.24Å; L20-L24 HydrophobicContact CG-CG 4.33Å; L20-L24 WeakPolarHBondContact O-CG 3.49Å; L20-L24 PolarHBondContact O-N 3.26Å; L20-T183 HydrophobicContact CB-CG2 4.03Å; L20-T183 HydrophobicContact CD1-CG2 3.84Å; L20-T183 HydrophobicContact CD2-CG2 3.77Å; L20-T183 HydrophobicContact CG-CG2 4.08Å; L20-F184 HydrophobicContact CD2-CE1 3.59Å; L20-F184 HydrophobicContact CD2-CE2 4.19Å; L20-F184 HydrophobicContact CD2-CZ 3.3Å; L20-I223 HydrophobicContact CD2-CB 4.33Å; L20-I223 HydrophobicContact CD2-CD1 4.34Å; L20-I223 HydrophobicContact CD2-CG1 3.91Å; L20-I223 HydrophobicContact CD2-CG2 3.61Å; L20-I223 HydrophobicContact CG-CG1 4.31Å; L20-Y226 HydrophobicContact CD1-CD2 4.1Å; L20-Y226 HydrophobicContact CD1-CE2 4.09Å; L20-Y226 HydrophobicContact CD1-CG 4.44Å
21	P	91.4	Very high	81.4	Confident	16 Å²	16	58.6 Å²	58.6	10%	0.104	33%	0.33	C	S	.	.	H	α-helix	trans	-52.6	-45.2	170.2	-31.5	38.1	0	0	0	113.4	L23 L24 K25 V212 L219	P21-L23 VanDerWaalsContact C-N 3.34Å; P21-L23 PolarHBondContact O-N 3.12Å; P21-L24 PolarHBondContact O-N 3.31Å; P21-K25 WeakPolarHBondContact O-CB 3.48Å; P21-K25 WeakPolarHBondContact O-CG 3.42Å; P21-K25 PolarHBondContact O-N 2.95Å; P21-V212 HydrophobicContact CG-CG2 3.99Å; P21-L219 HydrophobicContact CB-CD2 3.85Å; P21-L219 HydrophobicContact CG-CD2 4.31Å
22	D	91.1	Very high	83.1	Confident	36 Å²	36	62.5 Å²	62.5	19%	0.193	34%	0.341	C	S	.	.	H	α-helix	trans	-61.3	-43.1	177.5	-65.6	-42.9	0	0	0	111.5	F12 R16 C18 T19 L20 G26 L39	F12-D22 HydrophobicContact CE2-CB 4.05Å; F12-D22 WeakPolarHBondContact CE2-OD2 3.48Å; F12-D22 HydrophobicContact CZ-CB 3.68Å; R16-D22 IonicContact NH2-OD2 2.84Å; R16-D22 PolarHBondContact NH2-OD2 3.3Å; C18-D22 VanDerWaalsContact SG-CB 3.58Å; T19-D22 WeakPolarHBondContact CB-OD2 3.36Å; T19-D22 WeakPolarHBondContact CG2-OD2 3.2Å; T19-D22 PolarHBondContact N-OD2 3.16Å; T19-D22 VanDerWaalsContact N-OD2 3.08Å; T19-D22 WeakPolarHBondContact O-CB 3.31Å; T19-D22 PolarHBondContact O-N 3.41Å; T19-D22 VanDerWaalsContact O-N 3.17Å; T19-D22 PolarHBondContact OG1-N 3.02Å; T19-D22 PolarHBondContact OG1-OD2 3.09Å; L20-D22 VanDerWaalsContact C-N 3.29Å; L20-D22 PolarHBondContact O-N 3.5Å; D22-G26 WeakPolarHBondContact O-CA 3.25Å; D22-G26 PolarHBondContact O-N 3.21Å; D22-L39 WeakPolarHBondContact O-CD1 3.44Å
23	L	91.2	Very high	85	Confident	6 Å²	6	62 Å²	62	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-62.3	-46.7	179.3	176.5	63.3	0	0	0	112	T19 L20 P21 G26 L39 Q53 Q57	T19-L23 PolarHBondContact O-N 3.45Å; L20-L23 HydrophobicContact CD1-CD2 4.24Å; L20-L23 WeakPolarHBondContact O-CB 3.4Å; L20-L23 PolarHBondContact O-N 3.31Å; L20-L23 VanDerWaalsContact O-N 3.17Å; P21-L23 VanDerWaalsContact C-N 3.34Å; P21-L23 PolarHBondContact O-N 3.12Å; L23-G26 PolarHBondContact O-N 3.32Å; L23-L39 HydrophobicContact CD1-CB 4.28Å; L23-Q53 HydrophobicContact CD1-CG 4.44Å; L23-Q53 HydrophobicContact CD2-CG 4.11Å; L23-Q53 HydrophobicContact CG-CG 4.3Å; L23-Q57 PolarHBondContact O-NE2 3.4Å
24	L	93.3	Very high	87.1	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-74	-33.8	-178.3	-60.8	-172.9	0	0	0	112.4	L20 P21 G26 Q57 L219 A222 I223 Y226	L20-L24 HydrophobicContact CD1-CD1 4.15Å; L20-L24 HydrophobicContact CD1-CD2 4.24Å; L20-L24 HydrophobicContact CD1-CG 3.93Å; L20-L24 HydrophobicContact CG-CD1 4.24Å; L20-L24 HydrophobicContact CG-CG 4.33Å; L20-L24 WeakPolarHBondContact O-CG 3.49Å; L20-L24 PolarHBondContact O-N 3.26Å; P21-L24 PolarHBondContact O-N 3.31Å; L24-G26 PolarHBondContact O-N 3.22Å; L24-Q57 HydrophobicContact CD2-CG 4.19Å; L24-L219 HydrophobicContact CB-CD1 4.17Å; L24-L219 HydrophobicContact CD1-CD1 4.41Å; L24-A222 HydrophobicContact CD1-CB 3.98Å; L24-I223 HydrophobicContact CD1-CB 4.35Å; L24-I223 HydrophobicContact CD1-CG1 3.51Å; L24-Y226 HydrophobicContact CD2-CD2 4.22Å
25	K	92.5	Very high	88.9	Confident	66 Å²	66	55.1 Å²	55.1	29%	0.287	28%	0.282	S	S	.	.	H	α-helix	trans	-74.8	-13.1	171.5	-67.9	-179.6	166.5	171.4	0	113	P21 V27 Y60 E216 L219	P21-K25 WeakPolarHBondContact O-CB 3.48Å; P21-K25 WeakPolarHBondContact O-CG 3.42Å; P21-K25 PolarHBondContact O-N 2.95Å; K25-V27 PolarHBondContact O-N 3.49Å; K25-Y60 HydrophobicContact CB-CE1 4.19Å; K25-Y60 HydrophobicContact CB-CE2 4.46Å; K25-Y60 HydrophobicContact CD-CE2 4.36Å; K25-Y60 HydrophobicContact CG-CD2 4.15Å; K25-Y60 HydrophobicContact CG-CE1 4.15Å; K25-Y60 HydrophobicContact CG-CE2 3.56Å; K25-E216 WeakPolarHBondContact CE-OE2 3.37Å; K25-E216 IonicContact NZ-OE1 3.37Å; K25-E216 PolarHBondContact NZ-OE1 2.89Å; K25-E216 IonicContact NZ-OE2 3.05Å; K25-E216 PolarHBondContact NZ-OE2 2.73Å; K25-L219 HydrophobicContact CD-CD2 4.48Å; K25-L219 HydrophobicContact CG-CD1 4.39Å
26	G	91.7	Very high	90.4	Very high	9 Å²	9	56.8 Å²	56.8	9%	0.093	27%	0.271	C	S	.	.			trans	-70.2	37.8	-176.6	0	0	0	0	0	115.1	D22 L23 L24 N38 L39	D22-G26 WeakPolarHBondContact O-CA 3.25Å; D22-G26 PolarHBondContact O-N 3.21Å; L23-G26 PolarHBondContact O-N 3.32Å; L24-G26 PolarHBondContact O-N 3.22Å; G26-N38 PolarHBondContact O-N 3.36Å; G26-L39 PolarHBondContact O-N 2.66Å
27	V	93	Very high	91.4	Very high	16 Å²	16	50.1 Å²	50.1	10%	0.097	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.7	172.3	-63.9	0	0	0	0	109	K25 R36 Q57 Y60 A61 F93	K25-V27 PolarHBondContact O-N 3.49Å; V27-R36 CarbonylContact C-O 3.59Å; V27-R36 WeakPolarHBondContact CA-O 3.22Å; V27-Q57 HydrophobicContact CG1-CB 3.92Å; V27-Q57 HydrophobicContact CG1-CG 4.16Å; V27-Y60 HydrophobicContact CG2-CD1 3.65Å; V27-Y60 HydrophobicContact CG2-CE1 4.2Å; V27-A61 HydrophobicContact CG2-CB 4.27Å; V27-F93 HydrophobicContact CG1-CD2 4.04Å; V27-F93 HydrophobicContact CG1-CE2 3.55Å; V27-F93 HydrophobicContact CG1-CZ 4.28Å
28	E	93.9	Very high	92	Very high	75 Å²	75	47.4 Å²	47.4	35%	0.35	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.2	176.1	172.4	-175.7	-171.4	0	0	109.9	L30 Y35 R36 N38	E28-L30 HydrophobicContact CG-CD2 4.2Å; E28-L30 PolarHBondContact O-N 2.57Å; E28-Y35 CarbonylContact O-C 3.58Å; E28-Y35 WeakPolarHBondContact O-CA 3.45Å; E28-R36 PolarHBondContact N-O 2.94Å; E28-R36 PolarHBondContact O-N 3.36Å; E28-R36 IonicContact OE1-NH2 3.52Å; E28-R36 IonicContact OE2-CZ 3.48Å; E28-R36 IonicContact OE2-NE 2.94Å; E28-R36 IonicContact OE2-NH2 3.7Å; E28-R36 PolarHBondContact OE2-NH2 2.79Å; E28-N38 WeakPolarHBondContact CB-ND2 3.48Å; E28-N38 PolarHBondContact OE2-ND2 3.36Å; E28-N38 PolarHBondContact OE2-OD1 3.11Å; E28-N38 VanDerWaalsContact OE2-OD1 3.13Å
29	K	94.7	Very high	92.1	Very high	128 Å²	128	47.1 Å²	47.1	56%	0.557	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	119.4	172.5	-172	177.3	-179.5	-178.5	0	109.8	D31 Y35	K29-D31 VanDerWaalsContact CE-O 3.32Å; K29-D31 WeakPolarHBondContact CE-O 3.46Å; K29-D31 VanDerWaalsContact CG-O 3.31Å; K29-D31 WeakPolarHBondContact CG-O 3.28Å; K29-Y35 HydrophobicContact CB-CD1 3.77Å; K29-Y35 HydrophobicContact CB-CE1 3.7Å; K29-Y35 HydrophobicContact CD-CE1 4.04Å; K29-Y35 HydrophobicContact CG-CD1 4.07Å; K29-Y35 HydrophobicContact CG-CE1 3.66Å
30	L	95.7	Very high	92	Very high	82 Å²	82	47.2 Å²	47.2	43%	0.429	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-37.3	175	-60	-175	0	0	0	111.8	E28 V34 R36 L92	E28-L30 HydrophobicContact CG-CD2 4.2Å; E28-L30 PolarHBondContact O-N 2.57Å; L30-V34 HydrophobicContact CB-CG1 4.33Å; L30-V34 PolarHBondContact N-O 3.1Å; L30-R36 HydrophobicContact CD1-CB 3.75Å; L30-R36 HydrophobicContact CD2-CB 4.36Å; L30-R36 HydrophobicContact CG-CB 4.02Å; L30-L92 HydrophobicContact CD1-CD1 3.94Å
31	D	94.4	Very high	91.8	Very high	110 Å²	110	48.3 Å²	48.3	59%	0.588	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-152.5	179.1	178	-155.2	-18.3	0	0	0	110	K29 H33 V34	K29-D31 VanDerWaalsContact CE-O 3.32Å; K29-D31 WeakPolarHBondContact CE-O 3.46Å; K29-D31 VanDerWaalsContact CG-O 3.31Å; K29-D31 WeakPolarHBondContact CG-O 3.28Å; D31-H33 PolarHBondContact O-N 3.29Å; D31-V34 HydrophobicContact CB-CB 4.1Å; D31-V34 HydrophobicContact CB-CG2 4.31Å; D31-V34 PolarHBondContact N-O 2.85Å; D31-V34 PolarHBondContact O-N 2.97Å
32	K	91	Very high	91.2	Very high	151 Å²	151	48 Å²	48	66%	0.657	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	114	166	-175.2	179.1	179.3	-174.4	0	108.6	V34	K32-V34 VanDerWaalsContact C-N 3.25Å; K32-V34 PolarHBondContact O-N 2.84Å
33	H	93.6	Very high	90.4	Very high	46 Å²	46	47.1 Å²	47.1	21%	0.213	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	12.3	177.3	-51	173.9	0	0	0	116	D31 V95 D97	D31-H33 PolarHBondContact O-N 3.29Å; H33-V95 HydrophobicContact CB-CB 4.04Å; H33-V95 WeakPolarHBondContact CB-O 3.46Å; H33-V95 PolarHBondContact ND1-O 3.17Å; H33-V95 PolarHBondContact O-N 2.92Å; H33-D97 IonicContact CE1-OD2 3.78Å; H33-D97 PolarHBondContact CE1-OD2 3.14Å; H33-D97 IonicContact NE2-OD2 3.49Å
34	V	96.6	Very high	89.3	Confident	38 Å²	38	50.5 Å²	50.5	23%	0.23	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.6	176.3	-176.1	0	0	0	0	109.2	L30 D31 K32 L92 F93	L30-V34 HydrophobicContact CB-CG1 4.33Å; L30-V34 PolarHBondContact N-O 3.1Å; D31-V34 HydrophobicContact CB-CB 4.1Å; D31-V34 HydrophobicContact CB-CG2 4.31Å; D31-V34 PolarHBondContact N-O 2.85Å; D31-V34 PolarHBondContact O-N 2.97Å; K32-V34 VanDerWaalsContact C-N 3.25Å; K32-V34 PolarHBondContact O-N 2.84Å; V34-L92 HydrophobicContact CG1-CD1 3.73Å; V34-L92 HydrophobicContact CG1-CG 4.26Å; V34-F93 WeakPolarHBondContact CA-O 3.26Å
35	Y	97	Very high	88.1	Confident	10 Å²	10	52.1 Å²	52.1	4%	0.039	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.7	-178	-51.4	-98.7	0	0	0	111	E28 K29 A61 S64 L92 F93 V95	E28-Y35 CarbonylContact O-C 3.58Å; E28-Y35 WeakPolarHBondContact O-CA 3.45Å; K29-Y35 HydrophobicContact CB-CD1 3.77Å; K29-Y35 HydrophobicContact CB-CE1 3.7Å; K29-Y35 HydrophobicContact CD-CE1 4.04Å; K29-Y35 HydrophobicContact CG-CD1 4.07Å; K29-Y35 HydrophobicContact CG-CE1 3.66Å; Y35-A61 HydrophobicContact CD1-CB 4.44Å; Y35-A61 HydrophobicContact CD2-CB 3.73Å; Y35-A61 HydrophobicContact CE2-CB 4.18Å; Y35-A61 WeakPolarHBondContact CE2-O 3.28Å; Y35-A61 HydrophobicContact CG-CB 3.89Å; Y35-S64 WeakPolarHBondContact CE1-OG 3.26Å; Y35-S64 VanDerWaalsContact CZ-OG 3.31Å; Y35-S64 PolarHBondContact OH-OG 2.76Å; Y35-L92 CarbonylContact O-C 3.53Å; Y35-L92 WeakPolarHBondContact O-CA 3.45Å; Y35-L92 WeakPolarHBondContact O-CD1 3.22Å; Y35-F93 PolarHBondContact N-O 3.29Å; Y35-F93 PolarHBondContact O-N 2.85Å; Y35-V95 HydrophobicContact CD2-CG2 4.27Å; Y35-V95 HydrophobicContact CE2-CG2 4.08Å
36	R	96.2	Very high	87.3	Confident	91 Å²	91	50.4 Å²	50.4	34%	0.343	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.6	176.6	-179.8	-174.8	66.7	-165.3	-4.5	110.1	V27 E28 L30 N38 P90 L91 L92	V27-R36 CarbonylContact C-O 3.59Å; V27-R36 WeakPolarHBondContact CA-O 3.22Å; E28-R36 PolarHBondContact N-O 2.94Å; E28-R36 PolarHBondContact O-N 3.36Å; E28-R36 IonicContact OE1-NH2 3.52Å; E28-R36 IonicContact OE2-CZ 3.48Å; E28-R36 IonicContact OE2-NE 2.94Å; E28-R36 IonicContact OE2-NH2 3.7Å; E28-R36 PolarHBondContact OE2-NH2 2.79Å; L30-R36 HydrophobicContact CD1-CB 3.75Å; L30-R36 HydrophobicContact CD2-CB 4.36Å; L30-R36 HydrophobicContact CG-CB 4.02Å; R36-N38 PolarHBondContact O-N 2.85Å; R36-P90 HydrophobicContact CG-CB 3.95Å; R36-L91 CarbonylContact C-O 3.29Å; R36-L91 WeakPolarHBondContact CA-O 3.12Å; R36-L92 HydrophobicContact CB-CD1 4.45Å
37	T	93.2	Very high	86.9	Confident	6 Å²	6	55.2 Å²	55.2	4%	0.037	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	128.3	170.4	52.1	0	0	0	0	111.3	M40 P90 L91 F93	T37-M40 HydrophobicContact CG2-CG 3.74Å; T37-M40 HydrophobicContact CG2-SD 3.82Å; T37-M40 PolarHBondContact OG1-SD 3.4Å; T37-M40 VanDerWaalsContact OG1-SD 3.37Å; T37-P90 WeakPolarHBondContact OG1-CA 3.49Å; T37-L91 HydrophobicContact CG2-CB 3.71Å; T37-L91 HydrophobicContact CG2-CD1 4.14Å; T37-L91 HydrophobicContact CG2-CG 4.21Å; T37-L91 PolarHBondContact N-O 3.32Å; T37-L91 PolarHBondContact OG1-N 2.98Å; T37-L91 PolarHBondContact OG1-O 3.49Å; T37-F93 HydrophobicContact CG2-CE2 3.46Å; T37-F93 VanDerWaalsContact CG2-CE2 3.46Å; T37-F93 HydrophobicContact CG2-CZ 3.87Å
38	N	85.9	Confident	86.7	Confident	57 Å²	57	58.3 Å²	58.3	31%	0.305	29%	0.289	S	S	.	.	S	Bend	trans	-107.1	-19.5	165.9	-78.7	1.8	0	0	0	112.3	F2 G26 E28 R36	F2-N38 HydrophobicContact CE2-CB 4.36Å; F2-N38 WeakPolarHBondContact CE2-O 3.45Å; F2-N38 HydrophobicContact CZ-CB 4.44Å; F2-N38 WeakPolarHBondContact CZ-O 3.3Å; G26-N38 PolarHBondContact O-N 3.36Å; E28-N38 WeakPolarHBondContact CB-ND2 3.48Å; E28-N38 PolarHBondContact OE2-ND2 3.36Å; E28-N38 PolarHBondContact OE2-OD1 3.11Å; E28-N38 VanDerWaalsContact OE2-OD1 3.13Å; R36-N38 PolarHBondContact O-N 2.85Å
39	L	82.8	Confident	86.6	Confident	17 Å²	17	55.1 Å²	55.1	9%	0.089	27%	0.274	C	S	.	.			trans	-127.2	131.1	173.3	-66.3	165.3	0	0	0	109.1	F2 F12 D22 L23 G26 Q57	F2-L39 HydrophobicContact CD1-CD2 4.31Å; F2-L39 HydrophobicContact CE1-CD2 3.48Å; F2-L39 VanDerWaalsContact CE1-CD2 3.48Å; F2-L39 HydrophobicContact CE1-CG 4.43Å; F2-L39 HydrophobicContact CZ-CD2 3.97Å; F2-L39 HydrophobicContact CZ-CG 4.46Å; F12-L39 HydrophobicContact CE1-CD1 3.97Å; F12-L39 HydrophobicContact CZ-CD1 4.24Å; D22-L39 WeakPolarHBondContact O-CD1 3.44Å; L23-L39 HydrophobicContact CD1-CB 4.28Å; G26-L39 PolarHBondContact O-N 2.66Å; L39-Q57 PolarHBondContact O-NE2 2.83Å
40	M	85	Confident	86.5	Confident	23 Å²	23	50.1 Å²	50.1	11%	0.113	25%	0.252	C	S	.	.			trans	-148.4	136.9	174.3	-67.6	-177	-68.6	0	0	109.5	C10 T37 I49 V87 Y89 L91	C10-M40 VanDerWaalsContact SG-C 3.53Å; C10-M40 PolarHBondContact SG-O 2.75Å; T37-M40 HydrophobicContact CG2-CG 3.74Å; T37-M40 HydrophobicContact CG2-SD 3.82Å; T37-M40 PolarHBondContact OG1-SD 3.4Å; T37-M40 VanDerWaalsContact OG1-SD 3.37Å; M40-I49 HydrophobicContact SD-CD1 3.68Å; M40-V87 HydrophobicContact CB-CG2 4.16Å; M40-Y89 WeakPolarHBondContact CE-O 3.36Å; M40-L91 HydrophobicContact SD-CD1 4.16Å; M40-L91 HydrophobicContact SD-CG 3.96Å
41	E	82.9	Confident	86.4	Confident	32 Å²	32	46.6 Å²	46.6	15%	0.15	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-103.7	143.4	167.2	-149.1	-175.4	165.8	0	0	110.2	Q53 K178	E41-Q53 PolarHBondContact O-NE2 3.08Å; E41-Q53 PolarHBondContact O-OE1 3.44Å; E41-Q53 VanDerWaalsContact O-OE1 3.12Å; E41-K178 IonicContact OE1-NZ 3.05Å; E41-K178 PolarHBondContact OE1-NZ 3.37Å; E41-K178 IonicContact OE2-NZ 2.85Å; E41-K178 PolarHBondContact OE2-NZ 3.45Å
42	G	79.9	Confident	86.4	Confident	9 Å²	9	41.4 Å²	41.4	9%	0.093	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-98.2	166.5	172.8	0	0	0	0	0	111	R48	G42-R48 WeakPolarHBondContact CA-O 3.49Å
43	I	73.2	Confident	86.6	Confident	18 Å²	18	34.2 Å²	34.2	9%	0.092	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-68.8	140.1	162	-60.5	173.6	0	0	0	107.4	A45 S46 R48 M175 K178	I43-A45 HydrophobicContact CG2-CB 4.21Å; I43-S46 CarbonylContact C-O 3.5Å; I43-S46 CarbonylContact O-C 3.52Å; I43-S46 PolarHBondContact O-N 2.94Å; I43-R48 HydrophobicContact CD1-CB 4.18Å; I43-R48 PolarHBondContact N-O 3.43Å; I43-M175 HydrophobicContact CG2-CB 4.39Å; I43-M175 HydrophobicContact CG2-CG 4.44Å; I43-K178 HydrophobicContact CG1-CB 4.35Å; I43-K178 HydrophobicContact CG1-CG 4.01Å
44	V	69.1	Low	86.7	Confident	76 Å²	76	32.2 Å²	32.2	46%	0.461	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-43.1	-178.5	-179.2	0	0	0	0	110.1	R7 S46 D174	R7-V44 WeakPolarHBondContact O-CG2 3.25Å; V44-S46 PolarHBondContact O-N 3.46Å; V44-D174 WeakPolarHBondContact CB-OD2 3.22Å; V44-D174 PolarHBondContact N-OD2 3.29Å
45	A	68.2	Low	86.8	Confident	34 Å²	34	30.4 Å²	30.4	28%	0.281	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.8	177.1	0	0	0	0	0	114.9	I43 M171 D174	I43-A45 HydrophobicContact CG2-CB 4.21Å; A45-M171 HydrophobicContact CB-CB 4.12Å; A45-M171 HydrophobicContact CB-CE 3.96Å; A45-M171 HydrophobicContact CB-CG 4.37Å; A45-D174 PolarHBondContact N-OD2 2.87Å
46	S	76.1	Confident	86.8	Confident	30 Å²	30	29.9 Å²	29.9	21%	0.21	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-153.6	152.9	-178.6	76.2	0	0	0	0	113.2	I43 V44 R48	I43-S46 CarbonylContact C-O 3.5Å; I43-S46 CarbonylContact O-C 3.52Å; I43-S46 PolarHBondContact O-N 2.94Å; V44-S46 PolarHBondContact O-N 3.46Å; S46-R48 PolarHBondContact O-N 2.94Å; S46-R48 WeakPolarHBondContact OG-CB 3.42Å; S46-R48 PolarHBondContact OG-N 3.23Å
47	Q	82.3	Confident	86.8	Confident	111 Å²	111	25.6 Å²	25.6	52%	0.519	14%	0.138	S	C	.	.	S	Bend	trans	-69.7	13	174.7	-60.5	-62.8	-34.5	0	0	114	N86 V87 N88	Q47-N86 CarbonylContact O-C 3.37Å; Q47-N86 VanDerWaalsContact O-CA 3.26Å; Q47-N86 WeakPolarHBondContact O-CA 3.3Å; Q47-V87 PolarHBondContact O-N 3.33Å; Q47-V87 VanDerWaalsContact OE1-CG1 3.3Å; Q47-N88 PolarHBondContact OE1-ND2 3.4Å
48	R	88.5	Confident	86.9	Confident	81 Å²	81	25.3 Å²	25.3	31%	0.306	14%	0.136	S	C	.	.	B	Isolated β-bridge	trans	-82.8	152.3	-177.5	-61.2	-177.7	76.1	-178.7	0.6	111.5	G42 I43 S46 G85 I250	G42-R48 WeakPolarHBondContact CA-O 3.49Å; I43-R48 HydrophobicContact CD1-CB 4.18Å; I43-R48 PolarHBondContact N-O 3.43Å; S46-R48 PolarHBondContact O-N 2.94Å; S46-R48 WeakPolarHBondContact OG-CB 3.42Å; S46-R48 PolarHBondContact OG-N 3.23Å; R48-G85 CarbonylContact C-O 3.45Å; R48-G85 VanDerWaalsContact CA-O 3.25Å; R48-G85 WeakPolarHBondContact CA-O 3.39Å; R48-I250 PolarHBondContact NH1-O 3.36Å
49	I	91.8	Very high	87.4	Confident	7 Å²	7	22.6 Å²	22.6	4%	0.036	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-94.4	136.5	171.5	-55.9	172	0	0	0	108.6	M40 Q53 M54 G85 V87 L91	M40-I49 HydrophobicContact SD-CD1 3.68Å; I49-Q53 HydrophobicContact CG2-CB 4.29Å; I49-Q53 HydrophobicContact CG2-CG 4.49Å; I49-M54 HydrophobicContact CB-CE 4.16Å; I49-M54 HydrophobicContact CB-CG 4.37Å; I49-M54 HydrophobicContact CB-SD 4.25Å; I49-M54 HydrophobicContact CG2-CE 4.23Å; I49-M54 HydrophobicContact CG2-CG 3.62Å; I49-M54 HydrophobicContact CG2-SD 4.15Å; I49-G85 PolarHBondContact N-O 2.89Å; I49-V87 HydrophobicContact CG1-CB 4.17Å; I49-L91 HydrophobicContact CD1-CD1 3.81Å; I49-L91 HydrophobicContact CD1-CD2 4.19Å; I49-L91 HydrophobicContact CD1-CG 4.03Å
50	F	92.4	Very high	87.9	Confident	24 Å²	24	23.5 Å²	23.5	11%	0.105	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-64.7	137.4	174.9	175.2	-125.4	0	0	0	111.2	G52 Q53 M54 K178 G179 Y226 D229	F50-G52 PolarHBondContact O-N 3.26Å; F50-Q53 HydrophobicContact CB-CB 4.41Å; F50-Q53 HydrophobicContact CD1-CB 4.47Å; F50-Q53 WeakPolarHBondContact O-CB 3.38Å; F50-Q53 PolarHBondContact O-N 3.33Å; F50-Q53 VanDerWaalsContact O-N 3.16Å; F50-M54 PolarHBondContact O-N 3.41Å; F50-K178 HydrophobicContact CB-CG 4.21Å; F50-G179 VanDerWaalsContact CE1-CA 3.48Å; F50-Y226 HydrophobicContact CD1-CD2 4.34Å; F50-Y226 HydrophobicContact CD1-CE1 4.08Å; F50-Y226 AromaticContact CD1-CE2 3.72Å; F50-Y226 HydrophobicContact CD1-CE2 3.72Å; F50-Y226 AromaticContact CD1-CZ 3.57Å; F50-Y226 AromaticContact CE1-CD1 4Å; F50-Y226 HydrophobicContact CE1-CD1 4Å; F50-Y226 HydrophobicContact CE1-CD2 4.3Å; F50-Y226 AromaticContact CE1-CE1 3.67Å; F50-Y226 HydrophobicContact CE1-CE1 3.67Å; F50-Y226 HydrophobicContact CE1-CE2 4Å; F50-Y226 HydrophobicContact CE1-CG 4.3Å; F50-Y226 AromaticContact CE1-CZ 3.67Å; F50-D229 HydrophobicContact CE2-CB 4.29Å; F50-D229 WeakPolarHBondContact CE2-OD2 3.4Å; F50-D229 HydrophobicContact CZ-CB 3.89Å
51	G	94.1	Very high	88.3	Confident	8 Å²	8	22.4 Å²	22.4	8%	0.082	12%	0.119	C	C	.	.	H	α-helix	trans	-58.9	-47.8	-176.9	0	0	0	0	0	112.5	Q53 M54 I55 D229	G51-Q53 PolarHBondContact O-N 3Å; G51-M54 PolarHBondContact O-N 2.92Å; G51-I55 WeakPolarHBondContact O-CG1 3.24Å; G51-I55 PolarHBondContact O-N 3.34Å; G51-D229 VanDerWaalsContact C-OD2 3.24Å; G51-D229 WeakPolarHBondContact CA-OD2 3.4Å; G51-D229 PolarHBondContact N-OD2 3.17Å
52	G	95.2	Very high	88.8	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56.7	-32.9	176	0	0	0	0	0	114	F50 G56 Y226 D229	F50-G52 PolarHBondContact O-N 3.26Å; G52-G56 PolarHBondContact O-N 2.89Å; G52-Y226 VanDerWaalsContact C-CD2 3.48Å; G52-Y226 WeakPolarHBondContact O-CD2 3.5Å; G52-D229 PolarHBondContact N-OD2 2.77Å
53	Q	94.7	Very high	89.4	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.1	-48.5	173.8	-174.2	-179.1	-64	0	0	111.3	L23 E41 I49 F50 G51 I55 G56 Q57 Y226	L23-Q53 HydrophobicContact CD1-CG 4.44Å; L23-Q53 HydrophobicContact CD2-CG 4.11Å; L23-Q53 HydrophobicContact CG-CG 4.3Å; E41-Q53 PolarHBondContact O-NE2 3.08Å; E41-Q53 PolarHBondContact O-OE1 3.44Å; E41-Q53 VanDerWaalsContact O-OE1 3.12Å; I49-Q53 HydrophobicContact CG2-CB 4.29Å; I49-Q53 HydrophobicContact CG2-CG 4.49Å; F50-Q53 HydrophobicContact CB-CB 4.41Å; F50-Q53 HydrophobicContact CD1-CB 4.47Å; F50-Q53 WeakPolarHBondContact O-CB 3.38Å; F50-Q53 PolarHBondContact O-N 3.33Å; F50-Q53 VanDerWaalsContact O-N 3.16Å; G51-Q53 PolarHBondContact O-N 3Å; Q53-I55 VanDerWaalsContact C-N 3.33Å; Q53-I55 PolarHBondContact O-N 3.04Å; Q53-G56 PolarHBondContact O-N 3.4Å; Q53-Q57 WeakPolarHBondContact O-CB 3.47Å; Q53-Q57 WeakPolarHBondContact O-CG 3.28Å; Q53-Q57 PolarHBondContact O-N 2.84Å; Q53-Y226 HydrophobicContact CB-CD2 4.28Å; Q53-Y226 HydrophobicContact CB-CE2 3.87Å
54	M	96.4	Very high	89.8	Confident	4 Å²	4	21.4 Å²	21.4	2%	0.02	12%	0.116	C	C	.	.	H	α-helix	trans	-65.3	-39.4	180	-63.5	-175.5	-86.8	0	0	111.5	I49 F50 G51 A58 L91 V118 I119	I49-M54 HydrophobicContact CB-CE 4.16Å; I49-M54 HydrophobicContact CB-CG 4.37Å; I49-M54 HydrophobicContact CB-SD 4.25Å; I49-M54 HydrophobicContact CG2-CE 4.23Å; I49-M54 HydrophobicContact CG2-CG 3.62Å; I49-M54 HydrophobicContact CG2-SD 4.15Å; F50-M54 PolarHBondContact O-N 3.41Å; G51-M54 PolarHBondContact O-N 2.92Å; M54-A58 VanDerWaalsContact O-CB 3.22Å; M54-A58 WeakPolarHBondContact O-CB 3.4Å; M54-A58 PolarHBondContact O-N 3.35Å; M54-L91 HydrophobicContact CG-CD1 3.59Å; M54-L91 HydrophobicContact SD-CD1 3.87Å; M54-L91 HydrophobicContact SD-CD2 4.49Å; M54-V118 HydrophobicContact SD-CG2 4.21Å; M54-I119 HydrophobicContact CB-CD1 3.53Å; M54-I119 HydrophobicContact CE-CD1 3.61Å; M54-I119 HydrophobicContact CE-CG1 4.47Å; M54-I119 HydrophobicContact CG-CD1 4.16Å; M54-I119 HydrophobicContact SD-CD1 3.64Å; M54-I119 HydrophobicContact SD-CG1 4.34Å
55	I	97.6	Very high	90	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-49.3	175.4	-65	167.1	0	0	0	110.6	G51 Q53 Q57 A58 I59 L77 V79 F81 I121	G51-I55 WeakPolarHBondContact O-CG1 3.24Å; G51-I55 PolarHBondContact O-N 3.34Å; Q53-I55 VanDerWaalsContact C-N 3.33Å; Q53-I55 PolarHBondContact O-N 3.04Å; I55-Q57 PolarHBondContact O-N 2.92Å; I55-A58 PolarHBondContact O-N 3.38Å; I55-I59 HydrophobicContact CG2-CD1 3.82Å; I55-I59 HydrophobicContact CG2-CG1 4.48Å; I55-I59 WeakPolarHBondContact O-CG1 3.4Å; I55-I59 PolarHBondContact O-N 2.94Å; I55-L77 HydrophobicContact CG2-CD1 3.57Å; I55-V79 HydrophobicContact CD1-CG1 4.26Å; I55-V79 HydrophobicContact CD1-CG2 3.95Å; I55-V79 HydrophobicContact CG1-CG1 4.24Å; I55-V79 HydrophobicContact CG1-CG2 4.04Å; I55-F81 HydrophobicContact CD1-CZ 3.81Å; I55-F81 HydrophobicContact CG1-CZ 4.48Å; I55-I121 HydrophobicContact CG1-CD1 4.28Å
56	G	96.5	Very high	90.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.2	-44.9	-179.7	0	0	0	0	0	112.3	G52 Q53 I59 Y60 A222	G52-G56 PolarHBondContact O-N 2.89Å; Q53-G56 PolarHBondContact O-N 3.4Å; G56-I59 PolarHBondContact O-N 2.97Å; G56-Y60 PolarHBondContact O-N 3.03Å; G56-A222 WeakPolarHBondContact CA-O 3.37Å; G56-A222 WeakPolarHBondContact O-CB 3.26Å
57	Q	96.2	Very high	89.3	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.7	-40.5	175.5	-73.8	-180	-29.3	0	0	112.3	L23 L24 V27 L39 Q53 I55 Y60 A61 F93	L23-Q57 PolarHBondContact O-NE2 3.4Å; L24-Q57 HydrophobicContact CD2-CG 4.19Å; V27-Q57 HydrophobicContact CG1-CB 3.92Å; V27-Q57 HydrophobicContact CG1-CG 4.16Å; L39-Q57 PolarHBondContact O-NE2 2.83Å; Q53-Q57 WeakPolarHBondContact O-CB 3.47Å; Q53-Q57 WeakPolarHBondContact O-CG 3.28Å; Q53-Q57 PolarHBondContact O-N 2.84Å; I55-Q57 PolarHBondContact O-N 2.92Å; Q57-Y60 PolarHBondContact O-N 2.88Å; Q57-A61 WeakPolarHBondContact O-CB 3.42Å; Q57-A61 PolarHBondContact O-N 2.95Å; Q57-F93 HydrophobicContact CB-CE1 4Å; Q57-F93 HydrophobicContact CB-CE2 4.19Å; Q57-F93 HydrophobicContact CB-CZ 3.5Å
58	A	96.7	Very high	88.1	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.5	-40.5	177	0	0	0	0	0	112.5	M54 I55 A61 A62 F93 V109 V111 I121	M54-A58 VanDerWaalsContact O-CB 3.22Å; M54-A58 WeakPolarHBondContact O-CB 3.4Å; M54-A58 PolarHBondContact O-N 3.35Å; I55-A58 PolarHBondContact O-N 3.38Å; A58-A61 PolarHBondContact O-N 2.84Å; A58-A62 WeakPolarHBondContact O-CB 3.41Å; A58-A62 PolarHBondContact O-N 2.81Å; A58-F93 HydrophobicContact CB-CD1 3.83Å; A58-F93 HydrophobicContact CB-CE1 3.91Å; A58-V109 HydrophobicContact CB-CB 4.39Å; A58-V109 HydrophobicContact CB-CG1 3.9Å; A58-V111 HydrophobicContact CB-CG2 4.43Å; A58-I121 HydrophobicContact CB-CD1 3.49Å; A58-I121 VanDerWaalsContact CB-CD1 3.49Å
59	I	95.5	Very high	86.3	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.9	-46.4	173.7	-69.8	164.9	0	0	0	110.8	I55 G56 A61 A62 C63 P74 L77 M123 H221 A222 S225	I55-I59 HydrophobicContact CG2-CD1 3.82Å; I55-I59 HydrophobicContact CG2-CG1 4.48Å; I55-I59 WeakPolarHBondContact O-CG1 3.4Å; I55-I59 PolarHBondContact O-N 2.94Å; G56-I59 PolarHBondContact O-N 2.97Å; I59-A61 PolarHBondContact O-N 2.92Å; I59-A62 PolarHBondContact O-N 3.05Å; I59-C63 WeakPolarHBondContact O-CB 3.25Å; I59-C63 PolarHBondContact O-N 3.11Å; I59-C63 PolarHBondContact O-SG 3.05Å; I59-P74 HydrophobicContact CG2-CG 3.98Å; I59-L77 HydrophobicContact CD1-CD1 4.16Å; I59-L77 HydrophobicContact CD1-CD2 4.16Å; I59-M123 HydrophobicContact CB-CE 4.22Å; I59-M123 HydrophobicContact CG1-CE 3.46Å; I59-M123 VanDerWaalsContact CG1-CE 3.46Å; I59-M123 HydrophobicContact CG1-SD 4.36Å; I59-H221 HydrophobicContact CG2-CB 4.5Å; I59-A222 HydrophobicContact CB-CB 4.28Å; I59-A222 HydrophobicContact CG2-CB 4.1Å; I59-S225 WeakPolarHBondContact CD1-OG 3.35Å
60	Y	93.6	Very high	84.7	Confident	36 Å²	36	31.4 Å²	31.4	14%	0.141	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-47.7	177.9	-174	-93.2	0	0	0	111.4	K25 V27 G56 Q57 A62 C63 S64 M67 L219	K25-Y60 HydrophobicContact CB-CE1 4.19Å; K25-Y60 HydrophobicContact CB-CE2 4.46Å; K25-Y60 HydrophobicContact CD-CE2 4.36Å; K25-Y60 HydrophobicContact CG-CD2 4.15Å; K25-Y60 HydrophobicContact CG-CE1 4.15Å; K25-Y60 HydrophobicContact CG-CE2 3.56Å; V27-Y60 HydrophobicContact CG2-CD1 3.65Å; V27-Y60 HydrophobicContact CG2-CE1 4.2Å; G56-Y60 PolarHBondContact O-N 3.03Å; Q57-Y60 PolarHBondContact O-N 2.88Å; Y60-A62 PolarHBondContact O-N 2.85Å; Y60-C63 PolarHBondContact O-N 3.14Å; Y60-S64 WeakPolarHBondContact O-CB 3.43Å; Y60-S64 PolarHBondContact O-N 2.73Å; Y60-M67 HydrophobicContact CD2-CE 3.86Å; Y60-M67 HydrophobicContact CE2-CE 3.3Å; Y60-L219 HydrophobicContact CD2-CD1 4.49Å
61	A	94.1	Very high	84	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57	-48	176	0	0	0	0	0	112.2	V27 Y35 Q57 A58 I59 C63 S64 F93	V27-A61 HydrophobicContact CG2-CB 4.27Å; Y35-A61 HydrophobicContact CD1-CB 4.44Å; Y35-A61 HydrophobicContact CD2-CB 3.73Å; Y35-A61 HydrophobicContact CE2-CB 4.18Å; Y35-A61 WeakPolarHBondContact CE2-O 3.28Å; Y35-A61 HydrophobicContact CG-CB 3.89Å; Q57-A61 WeakPolarHBondContact O-CB 3.42Å; Q57-A61 PolarHBondContact O-N 2.95Å; A58-A61 PolarHBondContact O-N 2.84Å; I59-A61 PolarHBondContact O-N 2.92Å; A61-C63 PolarHBondContact O-N 2.91Å; A61-S64 PolarHBondContact O-N 3.46Å; A61-S64 PolarHBondContact O-OG 2.83Å; A61-F93 HydrophobicContact CB-CB 4.31Å; A61-F93 HydrophobicContact CB-CG 4.49Å
62	A	93.7	Very high	83.7	Confident	2 Å²	2	31.4 Å²	31.4	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-61.3	-42.9	177	0	0	0	0	0	111.8	A58 I59 Y60 V95 R105 V109 M123	A58-A62 WeakPolarHBondContact O-CB 3.41Å; A58-A62 PolarHBondContact O-N 2.81Å; I59-A62 PolarHBondContact O-N 3.05Å; Y60-A62 PolarHBondContact O-N 2.85Å; A62-V95 HydrophobicContact CB-CG1 4.4Å; A62-R105 PolarHBondContact O-NH1 3.23Å; A62-V109 HydrophobicContact CB-CG2 3.98Å; A62-M123 HydrophobicContact CB-CE 4.22Å; A62-M123 HydrophobicContact CB-SD 4.1Å
63	C	91.6	Very high	83.6	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-82.5	-16.1	-176	-61.9	0	0	0	0	114.5	I59 Y60 A61 G65 T66 M67 A218	I59-C63 WeakPolarHBondContact O-CB 3.25Å; I59-C63 PolarHBondContact O-N 3.11Å; I59-C63 PolarHBondContact O-SG 3.05Å; Y60-C63 PolarHBondContact O-N 3.14Å; A61-C63 PolarHBondContact O-N 2.91Å; C63-G65 PolarHBondContact O-N 3.17Å; C63-G65 VanDerWaalsContact O-N 3.15Å; C63-T66 PolarHBondContact O-N 2.93Å; C63-T66 PolarHBondContact O-OG1 3.06Å; C63-M67 WeakPolarHBondContact O-CG 3.12Å; C63-A218 HydrophobicContact CB-CB 3.52Å
64	S	82.4	Confident	83.6	Confident	35 Å²	35	32 Å²	32	25%	0.245	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-56.9	-30.9	-176.9	65.5	0	0	0	0	113.9	Y35 Y60 A61 T66	Y35-S64 WeakPolarHBondContact CE1-OG 3.26Å; Y35-S64 VanDerWaalsContact CZ-OG 3.31Å; Y35-S64 PolarHBondContact OH-OG 2.76Å; Y60-S64 WeakPolarHBondContact O-CB 3.43Å; Y60-S64 PolarHBondContact O-N 2.73Å; A61-S64 PolarHBondContact O-N 3.46Å; A61-S64 PolarHBondContact O-OG 2.83Å; S64-T66 VanDerWaalsContact C-N 3.29Å; S64-T66 PolarHBondContact O-N 3.25Å
65	G	71.7	Confident	83.5	Confident	55 Å²	55	36.2 Å²	36.2	57%	0.567	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-81.3	-0.3	176.2	0	0	0	0	0	115.2	C63	C63-G65 PolarHBondContact O-N 3.17Å; C63-G65 VanDerWaalsContact O-N 3.15Å
66	T	70.6	Confident	83.5	Confident	16 Å²	16	36.2 Å²	36.2	10%	0.098	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-124.1	14.8	-176.7	52.2	0	0	0	0	113.2	C63 S64 H68 A71	C63-T66 PolarHBondContact O-N 2.93Å; C63-T66 PolarHBondContact O-OG1 3.06Å; S64-T66 VanDerWaalsContact C-N 3.29Å; S64-T66 PolarHBondContact O-N 3.25Å; T66-H68 PolarHBondContact O-N 2.83Å; T66-A71 WeakPolarHBondContact O-CA 3.27Å; T66-A71 WeakPolarHBondContact O-CB 3.37Å
67	M	59.2	Low	83.6	Confident	80 Å²	80	36.2 Å²	36.2	39%	0.394	20%	0.201	S	C	.	.			trans	-72.8	30.3	-167.7	-66	-160.7	157.2	0	0	117.6	Y60 C63 A218	Y60-M67 HydrophobicContact CD2-CE 3.86Å; Y60-M67 HydrophobicContact CE2-CE 3.3Å; C63-M67 WeakPolarHBondContact O-CG 3.12Å; M67-A218 HydrophobicContact CE-CB 3.79Å
68	H	57.9	Low	83.8	Confident	157 Å²	157	39.7 Å²	39.7	73%	0.727	22%	0.217	S	C	*	.	S	Bend	trans	-89	160.7	171.5	-59.9	-57.7	0	0	0	111.5	T66 E70 A71	T66-H68 PolarHBondContact O-N 2.83Å; H68-E70 PolarHBondContact O-N 3.07Å; H68-A71 WeakPolarHBondContact O-CA 3.24Å; H68-A71 WeakPolarHBondContact O-CB 3.26Å; H68-A71 PolarHBondContact O-N 3.48Å
69	S	51	Low	83.8	Confident	110 Å²	110	39.7 Å²	39.7	77%	0.769	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22	-172.5	66.2	0	0	0	0	114.8	A71	S69-A71 VanDerWaalsContact C-N 3.29Å
70	E	58.7	Low	84	Confident	132 Å²	132	42.5 Å²	42.5	62%	0.617	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	19.3	170.3	-59	-165.2	-179.3	0	0	113.9	H68 K127	H68-E70 PolarHBondContact O-N 3.07Å; E70-K127 IonicContact OE2-NZ 2.7Å; E70-K127 PolarHBondContact OE2-NZ 3.47Å
71	A	76.3	Confident	84.2	Confident	15 Å²	15	42.3 Å²	42.3	12%	0.124	24%	0.236	C	C	.	.			trans	-52.7	142.8	-174.9	0	0	0	0	0	113.4	T66 H68 S69 V73	T66-A71 WeakPolarHBondContact O-CA 3.27Å; T66-A71 WeakPolarHBondContact O-CB 3.37Å; H68-A71 WeakPolarHBondContact O-CA 3.24Å; H68-A71 WeakPolarHBondContact O-CB 3.26Å; H68-A71 PolarHBondContact O-N 3.48Å; S69-A71 VanDerWaalsContact C-N 3.29Å; A71-V73 PolarHBondContact O-N 3.36Å
72	L	89.2	Confident	84.3	Confident	16 Å²	16	46.8 Å²	46.8	8%	0.084	26%	0.259	C	S	.	.			trans	-61.1	127.4	159	-54.7	178.1	0	0	0	108.8	L103 R105 L125 R126 K127	L72-L103 WeakPolarHBondContact CD2-O 3.17Å; L72-R105 HydrophobicContact CD1-CB 3.41Å; L72-R105 VanDerWaalsContact CD1-CB 3.41Å; L72-L125 HydrophobicContact CB-CB 3.69Å; L72-L125 HydrophobicContact CB-CD2 4.42Å; L72-R126 WeakPolarHBondContact CA-O 3.3Å; L72-K127 HydrophobicContact CD2-CB 4.07Å; L72-K127 VanDerWaalsContact CD2-N 3.28Å
73	V	91.6	Very high	84.4	Confident	10 Å²	10	52.4 Å²	52.4	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	150.9	173	-65.6	0	0	0	0	110.2	A71 R75 L125 R126 P217 K262	A71-V73 PolarHBondContact O-N 3.36Å; V73-R75 PolarHBondContact O-N 3.23Å; V73-L125 CarbonylContact O-C 3.56Å; V73-L125 WeakPolarHBondContact O-CA 3.21Å; V73-R126 PolarHBondContact N-O 3.39Å; V73-R126 PolarHBondContact O-N 2.85Å; V73-P217 HydrophobicContact CG1-CB 3.9Å; V73-P217 HydrophobicContact CG1-CG 4.2Å; V73-K262 HydrophobicContact CG2-CB 4.38Å; V73-K262 HydrophobicContact CG2-CG 4.44Å
74	P	94.8	Very high	84.4	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.013	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	129.2	173.9	-26.4	35.6	0	0	0	112	I59 M123 H221 F259	I59-P74 HydrophobicContact CG2-CG 3.98Å; P74-M123 HydrophobicContact CG-SD 4.47Å; P74-H221 HydrophobicContact CB-CB 4.47Å; P74-H221 HydrophobicContact CG-CB 3.88Å; P74-F259 HydrophobicContact CB-CD2 3.85Å; P74-F259 HydrophobicContact CB-CE2 3.62Å; P74-F259 HydrophobicContact CB-CZ 4.45Å; P74-F259 WeakPolarHBondContact O-CD2 3.43Å
75	R	95.3	Very high	84.9	Confident	93 Å²	93	52 Å²	52	35%	0.351	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-45	172.6	-175.8	-156.6	58.1	63.9	2.9	110.7	V73 S124 F259	V73-R75 PolarHBondContact O-N 3.23Å; R75-S124 PolarHBondContact N-O 2.85Å; R75-S124 PolarHBondContact NH2-OG 2.83Å; R75-S124 VanDerWaalsContact NH2-OG 3.09Å; R75-F259 PolarHBondContact O-N 2.85Å
76	S	98	Very high	85.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	160.5	169.4	74.4	0	0	0	0	111.7	M123 S124 I257	S76-M123 WeakPolarHBondContact O-CA 3.1Å; S76-S124 PolarHBondContact N-O 3.04Å; S76-S124 PolarHBondContact O-N 3.43Å; S76-I257 CarbonylContact C-O 3.47Å; S76-I257 WeakPolarHBondContact CA-O 3.32Å; S76-I257 WeakPolarHBondContact CB-O 3.45Å
77	L	98.2	Very high	86.7	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147.1	168.4	54.3	146.7	0	0	0	111.1	I55 I59 V79 I121 D122 C256 I257 F259	I55-L77 HydrophobicContact CG2-CD1 3.57Å; I59-L77 HydrophobicContact CD1-CD1 4.16Å; I59-L77 HydrophobicContact CD1-CD2 4.16Å; L77-V79 HydrophobicContact CD1-CG2 3.75Å; L77-I121 HydrophobicContact CB-CG2 3.88Å; L77-I121 HydrophobicContact CD1-CG2 4.26Å; L77-D122 CarbonylContact C-O 3.47Å; L77-D122 VanDerWaalsContact CA-O 3.26Å; L77-D122 WeakPolarHBondContact CA-O 3.07Å; L77-C256 CarbonylContact O-C 3.31Å; L77-C256 VanDerWaalsContact O-CA 3.3Å; L77-C256 WeakPolarHBondContact O-CA 3.48Å; L77-I257 HydrophobicContact CD1-CD1 3.86Å; L77-I257 HydrophobicContact CD1-CG1 4.27Å; L77-I257 HydrophobicContact CD2-CB 3.72Å; L77-I257 HydrophobicContact CD2-CD1 4.01Å; L77-I257 HydrophobicContact CD2-CG1 4.25Å; L77-I257 HydrophobicContact CD2-CG2 4.32Å; L77-I257 HydrophobicContact CG-CB 3.88Å; L77-I257 HydrophobicContact CG-CD1 4.08Å; L77-I257 HydrophobicContact CG-CG1 4.1Å; L77-I257 PolarHBondContact N-O 3.38Å; L77-I257 PolarHBondContact O-N 3.05Å; L77-F259 HydrophobicContact CD2-CD2 4.41Å; L77-F259 HydrophobicContact CD2-CE2 3.51Å; L77-F259 HydrophobicContact CD2-CZ 4.24Å
78	H	98.7	Very high	88.2	Confident	73 Å²	73	52 Å²	52	34%	0.338	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	114.6	175.2	-57.8	-90.9	0	0	0	108.1	I121 D122 C256 W258	H78-I121 WeakPolarHBondContact O-CA 3.35Å; H78-D122 HydrophobicContact CB-CB 4.47Å; H78-D122 PolarHBondContact N-O 2.97Å; H78-D122 PolarHBondContact O-N 3.13Å; H78-C256 PolarHBondContact ND1-SG 2.89Å; H78-C256 VanDerWaalsContact ND1-SG 3.38Å; H78-W258 AromaticContact CE1-CZ2 3.72Å
79	V	98.8	Very high	89.8	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.5	-174.7	-172.9	0	0	0	0	108.7	I55 L77 F81 I119 S120 I121 N254 H255	I55-V79 HydrophobicContact CD1-CG1 4.26Å; I55-V79 HydrophobicContact CD1-CG2 3.95Å; I55-V79 HydrophobicContact CG1-CG1 4.24Å; I55-V79 HydrophobicContact CG1-CG2 4.04Å; L77-V79 HydrophobicContact CD1-CG2 3.75Å; V79-F81 HydrophobicContact CB-CE2 4.38Å; V79-F81 HydrophobicContact CG1-CD2 4.04Å; V79-F81 HydrophobicContact CG1-CE1 4.24Å; V79-F81 HydrophobicContact CG1-CE2 3.74Å; V79-F81 HydrophobicContact CG1-CG 4.44Å; V79-F81 HydrophobicContact CG1-CZ 3.86Å; V79-I119 HydrophobicContact CG1-CG2 3.48Å; V79-I119 VanDerWaalsContact CG1-CG2 3.48Å; V79-S120 WeakPolarHBondContact CA-O 3.31Å; V79-I121 HydrophobicContact CG1-CG1 4.27Å; V79-I121 HydrophobicContact CG2-CD1 4.35Å; V79-I121 HydrophobicContact CG2-CG1 4.18Å; V79-I121 HydrophobicContact CG2-CG2 4.19Å; V79-N254 CarbonylContact O-C 3.56Å; V79-N254 WeakPolarHBondContact O-CA 3.37Å; V79-N254 VanDerWaalsContact O-CB 3.3Å; V79-N254 WeakPolarHBondContact O-CB 3.24Å; V79-H255 WeakPolarHBondContact CA-O 3.32Å; V79-H255 HydrophobicContact CB-CB 4.12Å; V79-H255 WeakPolarHBondContact CB-O 3.44Å; V79-H255 HydrophobicContact CG2-CB 4.49Å; V79-H255 VanDerWaalsContact CG2-O 3.28Å; V79-H255 WeakPolarHBondContact CG2-O 3.32Å; V79-H255 PolarHBondContact N-O 2.75Å; V79-H255 PolarHBondContact O-N 2.94Å
80	S	98.6	Very high	91.8	Very high	58 Å²	58	47.3 Å²	47.3	41%	0.406	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.6	165.3	-64.6	0	0	0	0	108.7	I119 S120	S80-I119 WeakPolarHBondContact O-CA 3.41Å; S80-S120 PolarHBondContact N-O 2.77Å; S80-S120 PolarHBondContact O-N 3.32Å
81	F	97.9	Very high	93.7	Very high	32 Å²	32	41.1 Å²	41.1	14%	0.14	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	113.2	176.7	-67.4	-86.4	0	0	0	109.5	I55 V79 I119 S252 L253 H255	I55-F81 HydrophobicContact CD1-CZ 3.81Å; I55-F81 HydrophobicContact CG1-CZ 4.48Å; V79-F81 HydrophobicContact CB-CE2 4.38Å; V79-F81 HydrophobicContact CG1-CD2 4.04Å; V79-F81 HydrophobicContact CG1-CE1 4.24Å; V79-F81 HydrophobicContact CG1-CE2 3.74Å; V79-F81 HydrophobicContact CG1-CG 4.44Å; V79-F81 HydrophobicContact CG1-CZ 3.86Å; F81-I119 HydrophobicContact CD1-CD1 3.57Å; F81-I119 HydrophobicContact CD1-CG1 3.67Å; F81-I119 HydrophobicContact CE1-CD1 3.45Å; F81-I119 VanDerWaalsContact CE1-CD1 3.45Å; F81-I119 HydrophobicContact CE1-CG1 4.08Å; F81-S252 WeakPolarHBondContact CB-O 3.47Å; F81-S252 VanDerWaalsContact CE2-CB 3.5Å; F81-L253 PolarHBondContact N-O 3.4Å; F81-H255 HydrophobicContact CE2-CB 3.72Å; F81-H255 HydrophobicContact CZ-CB 4.44Å
82	M	96.4	Very high	94.7	Very high	95 Å²	95	43.1 Å²	43.1	47%	0.468	22%	0.221	S	C	.	.			trans	-93.3	-38.7	-179.8	-64.8	83.6	-170.3	0	0	112	M117 V118	M82-M117 WeakPolarHBondContact CB-O 3.49Å; M82-M117 HydrophobicContact CE-CE 3.8Å; M82-M117 HydrophobicContact CG-CE 4.44Å; M82-M117 HydrophobicContact SD-CE 3.99Å; M82-M117 HydrophobicContact SD-CG 4.27Å; M82-V118 PolarHBondContact N-O 3.03Å
83	K	94.6	Very high	95.1	Very high	119 Å²	119	42.4 Å²	42.4	52%	0.517	22%	0.217	S	C	.	.	S	Bend	trans	-154	145.8	-175.3	-170.7	174.7	179.7	177.8	0	110.4	G85 T116 V118	K83-G85 PolarHBondContact O-N 2.79Å; K83-T116 HydrophobicContact CD-CG2 3.61Å; K83-V118 HydrophobicContact CB-CG1 4.36Å; K83-V118 PolarHBondContact N-O 3Å; K83-V118 WeakPolarHBondContact O-CB 3.32Å
84	G	92	Very high	95.4	Very high	27 Å²	27	44.4 Å²	44.4	28%	0.278	23%	0.229	S	C	.	.			trans	-64.5	126.6	170.9	0	0	0	0	0	111
85	G	92.5	Very high	95.5	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.01	23%	0.23	C	C	.	.			trans	-67.2	144.8	170.3	0	0	0	0	0	111.2	R48 I49 K83	R48-G85 CarbonylContact C-O 3.45Å; R48-G85 VanDerWaalsContact CA-O 3.25Å; R48-G85 WeakPolarHBondContact CA-O 3.39Å; I49-G85 PolarHBondContact N-O 2.89Å; K83-G85 PolarHBondContact O-N 2.79Å
86	N	91.5	Very high	95.6	Very high	49 Å²	49	44.7 Å²	44.7	26%	0.262	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-106.1	124	176.6	-178.8	-35.8	0	0	0	110.8	Q47 N88 Y89 Q113	Q47-N86 CarbonylContact O-C 3.37Å; Q47-N86 VanDerWaalsContact O-CA 3.26Å; Q47-N86 WeakPolarHBondContact O-CA 3.3Å; N86-N88 PolarHBondContact O-N 3.43Å; N86-N88 WeakPolarHBondContact OD1-CB 3.44Å; N86-N88 PolarHBondContact OD1-N 3.29Å; N86-N88 PolarHBondContact OD1-ND2 3.12Å; N86-Y89 HydrophobicContact CB-CD2 4.06Å; N86-Y89 PolarHBondContact O-N 3.35Å; N86-Y89 VanDerWaalsContact O-N 3.14Å; N86-Q113 PolarHBondContact O-NE2 2.86Å
87	V	90.3	Very high	95.4	Very high	6 Å²	6	46.8 Å²	46.8	4%	0.036	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.8	-173.8	74.1	0	0	0	0	114	I5 M40 Q47 I49 Y89	I5-V87 HydrophobicContact CD1-CG2 4.02Å; M40-V87 HydrophobicContact CB-CG2 4.16Å; Q47-V87 PolarHBondContact O-N 3.33Å; Q47-V87 VanDerWaalsContact OE1-CG1 3.3Å; I49-V87 HydrophobicContact CG1-CB 4.17Å; V87-Y89 VanDerWaalsContact C-N 3.29Å; V87-Y89 PolarHBondContact O-N 2.94Å
88	N	89.6	Confident	95.3	Very high	96 Å²	96	50.8 Å²	50.8	51%	0.513	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-8	-179.7	-60.4	-69	0	0	0	114.3	Q47 N86	Q47-N88 PolarHBondContact OE1-ND2 3.4Å; N86-N88 PolarHBondContact O-N 3.43Å; N86-N88 WeakPolarHBondContact OD1-CB 3.44Å; N86-N88 PolarHBondContact OD1-N 3.29Å; N86-N88 PolarHBondContact OD1-ND2 3.12Å
89	Y	92	Very high	95.1	Very high	99 Å²	99	52.3 Å²	52.3	39%	0.388	27%	0.274	S	S	.	.	S	Bend	trans	-127.2	138.1	178.5	-52.2	-79.7	0	0	0	110.1	M40 N86 V87 Q113 K114	M40-Y89 WeakPolarHBondContact CE-O 3.36Å; N86-Y89 HydrophobicContact CB-CD2 4.06Å; N86-Y89 PolarHBondContact O-N 3.35Å; N86-Y89 VanDerWaalsContact O-N 3.14Å; V87-Y89 VanDerWaalsContact C-N 3.29Å; V87-Y89 PolarHBondContact O-N 2.94Å; Y89-Q113 PolarHBondContact O-NE2 3.03Å; Y89-K114 PolarHBondContact OH-NZ 3.3Å
90	P	93.5	Very high	94.8	Very high	70 Å²	70	57.9 Å²	57.9	46%	0.455	30%	0.298	S	S	.	.			trans	-62	149.3	-179.6	28.2	-35.3	0	0	0	111.3	R36 T37	R36-P90 HydrophobicContact CG-CB 3.95Å; T37-P90 WeakPolarHBondContact OG1-CA 3.49Å
91	L	97.1	Very high	94.4	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.29	C	S	.	.			trans	-91.7	140	165	-54.6	168.6	0	0	0	109.3	R36 T37 M40 I49 M54 F93 V111 M112 Q113 V118	R36-L91 CarbonylContact C-O 3.29Å; R36-L91 WeakPolarHBondContact CA-O 3.12Å; T37-L91 HydrophobicContact CG2-CB 3.71Å; T37-L91 HydrophobicContact CG2-CD1 4.14Å; T37-L91 HydrophobicContact CG2-CG 4.21Å; T37-L91 PolarHBondContact N-O 3.32Å; T37-L91 PolarHBondContact OG1-N 2.98Å; T37-L91 PolarHBondContact OG1-O 3.49Å; M40-L91 HydrophobicContact SD-CD1 4.16Å; M40-L91 HydrophobicContact SD-CG 3.96Å; I49-L91 HydrophobicContact CD1-CD1 3.81Å; I49-L91 HydrophobicContact CD1-CD2 4.19Å; I49-L91 HydrophobicContact CD1-CG 4.03Å; M54-L91 HydrophobicContact CG-CD1 3.59Å; M54-L91 HydrophobicContact SD-CD1 3.87Å; M54-L91 HydrophobicContact SD-CD2 4.49Å; L91-F93 HydrophobicContact CB-CE2 4.27Å; L91-F93 HydrophobicContact CB-CZ 4.24Å; L91-F93 HydrophobicContact CD1-CZ 4.34Å; L91-V111 HydrophobicContact CB-CG1 4Å; L91-V111 HydrophobicContact CD1-CG1 4.18Å; L91-V111 HydrophobicContact CD2-CG1 4.14Å; L91-V111 HydrophobicContact CG-CG1 4.35Å; L91-M112 CarbonylContact C-O 3.52Å; L91-M112 WeakPolarHBondContact CA-O 3.21Å; L91-Q113 HydrophobicContact CD2-CB 4.08Å; L91-V118 HydrophobicContact CD2-CG2 3.9Å
92	L	97.7	Very high	93.9	Very high	58 Å²	58	63.1 Å²	63.1	30%	0.304	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.5	171.3	-172.5	78.8	0	0	0	108.3	L30 V34 Y35 R36 V94 V111 M112	L30-L92 HydrophobicContact CD1-CD1 3.94Å; V34-L92 HydrophobicContact CG1-CD1 3.73Å; V34-L92 HydrophobicContact CG1-CG 4.26Å; Y35-L92 CarbonylContact O-C 3.53Å; Y35-L92 WeakPolarHBondContact O-CA 3.45Å; Y35-L92 WeakPolarHBondContact O-CD1 3.22Å; R36-L92 HydrophobicContact CB-CD1 4.45Å; L92-V94 HydrophobicContact CD2-CG2 3.94Å; L92-V94 HydrophobicContact CG-CG2 4.18Å; L92-V111 CarbonylContact O-C 3.45Å; L92-V111 WeakPolarHBondContact O-CA 3.26Å; L92-M112 HydrophobicContact CB-CB 4.28Å; L92-M112 PolarHBondContact N-O 2.82Å; L92-M112 PolarHBondContact O-N 2.99Å
93	F	97.9	Very high	93.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.3	174.3	-53.4	-93.3	0	0	0	108.8	V27 V34 Y35 T37 Q57 A58 A61 L91 V109 V111	V27-F93 HydrophobicContact CG1-CD2 4.04Å; V27-F93 HydrophobicContact CG1-CE2 3.55Å; V27-F93 HydrophobicContact CG1-CZ 4.28Å; V34-F93 WeakPolarHBondContact CA-O 3.26Å; Y35-F93 PolarHBondContact N-O 3.29Å; Y35-F93 PolarHBondContact O-N 2.85Å; T37-F93 HydrophobicContact CG2-CE2 3.46Å; T37-F93 VanDerWaalsContact CG2-CE2 3.46Å; T37-F93 HydrophobicContact CG2-CZ 3.87Å; Q57-F93 HydrophobicContact CB-CE1 4Å; Q57-F93 HydrophobicContact CB-CE2 4.19Å; Q57-F93 HydrophobicContact CB-CZ 3.5Å; A58-F93 HydrophobicContact CB-CD1 3.83Å; A58-F93 HydrophobicContact CB-CE1 3.91Å; A61-F93 HydrophobicContact CB-CB 4.31Å; A61-F93 HydrophobicContact CB-CG 4.49Å; L91-F93 HydrophobicContact CB-CE2 4.27Å; L91-F93 HydrophobicContact CB-CZ 4.24Å; L91-F93 HydrophobicContact CD1-CZ 4.34Å; F93-V109 HydrophobicContact CB-CG1 4.13Å; F93-V109 HydrophobicContact CD1-CG1 4.2Å; F93-V111 HydrophobicContact CD1-CB 4.41Å; F93-V111 HydrophobicContact CD1-CG1 4.05Å; F93-V111 HydrophobicContact CD1-CG2 3.75Å; F93-V111 HydrophobicContact CE1-CG1 3.81Å; F93-V111 HydrophobicContact CE1-CG2 3.93Å; F93-V111 HydrophobicContact CZ-CG1 4.43Å
94	V	97.6	Very high	93.4	Very high	53 Å²	53	60.4 Å²	60.4	32%	0.321	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	113.5	174.6	-176.5	0	0	0	0	107.8	L92 V109 S110	L92-V94 HydrophobicContact CD2-CG2 3.94Å; L92-V94 HydrophobicContact CG-CG2 4.18Å; V94-V109 WeakPolarHBondContact O-CA 3.38Å; V94-S110 PolarHBondContact N-O 2.83Å; V94-S110 PolarHBondContact O-N 3.33Å
95	V	97.2	Very high	93.5	Very high	6 Å²	6	59.4 Å²	59.4	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.5	-178.1	-174.6	0	0	0	0	109.2	H33 Y35 A62 C107 V109	H33-V95 HydrophobicContact CB-CB 4.04Å; H33-V95 WeakPolarHBondContact CB-O 3.46Å; H33-V95 PolarHBondContact ND1-O 3.17Å; H33-V95 PolarHBondContact O-N 2.92Å; Y35-V95 HydrophobicContact CD2-CG2 4.27Å; Y35-V95 HydrophobicContact CE2-CG2 4.08Å; A62-V95 HydrophobicContact CB-CG1 4.4Å; V95-C107 HydrophobicContact CG1-CB 4.1Å; V95-V109 HydrophobicContact CG1-CG2 4.41Å; V95-V109 HydrophobicContact CG2-CG1 4.2Å; V95-V109 HydrophobicContact CG2-CG2 4.18Å
96	N	96.8	Very high	93.7	Very high	94 Å²	94	62.6 Å²	62.6	50%	0.503	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.2	174.2	-170.9	52.5	0	0	0	110.2	N98 C107 T108	N96-N98 PolarHBondContact ND2-OD1 3.41Å; N96-N98 PolarHBondContact O-N 3.06Å; N96-C107 CarbonylContact O-C 3.54Å; N96-C107 WeakPolarHBondContact O-CA 3.41Å; N96-C107 WeakPolarHBondContact O-CB 3.48Å; N96-T108 PolarHBondContact N-O 3.37Å; N96-T108 PolarHBondContact O-N 3.4Å
97	D	94.6	Very high	94	Very high	45 Å²	45	60.3 Å²	60.3	24%	0.241	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	107.9	172.7	-78.1	-17.5	0	0	0	109.3	H33 R105	H33-D97 IonicContact CE1-OD2 3.78Å; H33-D97 PolarHBondContact CE1-OD2 3.14Å; H33-D97 IonicContact NE2-OD2 3.49Å; D97-R105 IonicContact OD1-CZ 2.87Å; D97-R105 IonicContact OD1-NE 2.89Å; D97-R105 PolarHBondContact OD1-NE 2.86Å; D97-R105 IonicContact OD1-NH2 2.83Å; D97-R105 PolarHBondContact OD1-NH2 2.85Å; D97-R105 IonicContact OD2-NE 3.92Å; D97-R105 IonicContact OD2-NH2 3.26Å
98	N	96.1	Very high	94.3	Very high	84 Å²	84	61 Å²	61	45%	0.449	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-32.9	177.3	-55.9	-25.9	0	0	0	110.8	N96 H106 T108	N96-N98 PolarHBondContact ND2-OD1 3.41Å; N96-N98 PolarHBondContact O-N 3.06Å; N98-H106 PolarHBondContact N-O 3.38Å; N98-T108 PolarHBondContact ND2-OG1 2.89Å
99	Y	95	Very high	94.8	Very high	105 Å²	105	56.5 Å²	56.5	41%	0.412	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	143.1	176.1	-179.2	-90.7	0	0	0	110.5	D101 R104 R105 H106	Y99-D101 HydrophobicContact CE1-CB 4.16Å; Y99-D101 WeakPolarHBondContact CE1-OD2 3.48Å; Y99-D101 PolarHBondContact OH-OD2 3Å; Y99-D101 VanDerWaalsContact OH-OD2 3.08Å; Y99-R104 PolarHBondContact OH-NH2 2.87Å; Y99-R105 CarbonylContact O-C 3.56Å; Y99-R105 WeakPolarHBondContact O-CA 3.27Å; Y99-H106 AromaticContact CD1-CD2 3.88Å; Y99-H106 PolarHBondContact N-O 3.5Å; Y99-H106 PolarHBondContact O-N 3.36Å
100	K	91.8	Very high	95.1	Very high	117 Å²	117	53.4 Å²	53.4	51%	0.509	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	125.4	174.7	-172	176.6	-180	178.2	0	111.6	R105	K100-R105 HydrophobicContact CB-CG 4.39Å; K100-R105 HydrophobicContact CG-CB 4.37Å; K100-R105 HydrophobicContact CG-CG 4.29Å
101	D	91.1	Very high	95.3	Very high	44 Å²	44	50 Å²	50	24%	0.235	24%	0.244	C	C	.	.			trans	-126	-167.2	164.4	68.2	30	0	0	0	109.5	Y99 L103 R104	Y99-D101 HydrophobicContact CE1-CB 4.16Å; Y99-D101 WeakPolarHBondContact CE1-OD2 3.48Å; Y99-D101 PolarHBondContact OH-OD2 3Å; Y99-D101 VanDerWaalsContact OH-OD2 3.08Å; D101-L103 VanDerWaalsContact C-N 3.31Å; D101-L103 WeakPolarHBondContact OD1-CA 3.21Å; D101-L103 PolarHBondContact OD1-N 3.26Å; D101-R104 PolarHBondContact N-O 3.42Å; D101-R104 PolarHBondContact OD1-N 3.17Å; D101-R104 IonicContact OD2-CZ 3.58Å; D101-R104 IonicContact OD2-NE 3.31Å; D101-R104 PolarHBondContact OD2-NE 3.18Å; D101-R104 IonicContact OD2-NH2 2.93Å; D101-R104 PolarHBondContact OD2-NH2 3.48Å
102	H	86.3	Confident	95.3	Very high	156 Å²	156	52.2 Å²	52.2	72%	0.722	26%	0.255	S	S	*	.	S	Bend	trans	-77.6	-12.8	179.7	68.3	-78.1	0	0	0	114.1
103	L	89.8	Confident	95.2	Very high	60 Å²	60	50.3 Å²	50.3	31%	0.314	25%	0.245	S	C	.	.	S	Bend	trans	-110.3	-26.2	-177.7	-61.4	177.2	0	0	0	113.2	L72 D101 R126 K127	L72-L103 WeakPolarHBondContact CD2-O 3.17Å; D101-L103 VanDerWaalsContact C-N 3.31Å; D101-L103 WeakPolarHBondContact OD1-CA 3.21Å; D101-L103 PolarHBondContact OD1-N 3.26Å; L103-R126 CarbonylContact O-C 3.49Å; L103-R126 VanDerWaalsContact O-CA 3.28Å; L103-R126 WeakPolarHBondContact O-CA 3.38Å; L103-R126 WeakPolarHBondContact O-CG 3.28Å; L103-K127 HydrophobicContact CD2-CB 4.47Å; L103-K127 HydrophobicContact CD2-CD 4.31Å; L103-K127 PolarHBondContact O-N 2.79Å
104	R	92	Very high	95	Very high	98 Å²	98	57.1 Å²	57.1	37%	0.37	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	148.8	-167.3	-64.3	173.3	-60.8	173.1	6.2	111.1	Y99 D101 L125 R126	Y99-R104 PolarHBondContact OH-NH2 2.87Å; D101-R104 PolarHBondContact N-O 3.42Å; D101-R104 PolarHBondContact OD1-N 3.17Å; D101-R104 IonicContact OD2-CZ 3.58Å; D101-R104 IonicContact OD2-NE 3.31Å; D101-R104 PolarHBondContact OD2-NE 3.18Å; D101-R104 IonicContact OD2-NH2 2.93Å; D101-R104 PolarHBondContact OD2-NH2 3.48Å; R104-L125 WeakPolarHBondContact CA-O 3.35Å; R104-R126 HydrophobicContact CG-CG 4.12Å
105	R	93.9	Very high	94.9	Very high	6 Å²	6	61.2 Å²	61.2	2%	0.023	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	134.6	169.5	179.6	178.5	175.9	-144.8	-2	109.3	A62 L72 D97 Y99 K100 S124 L125	A62-R105 PolarHBondContact O-NH1 3.23Å; L72-R105 HydrophobicContact CD1-CB 3.41Å; L72-R105 VanDerWaalsContact CD1-CB 3.41Å; D97-R105 IonicContact OD1-CZ 2.87Å; D97-R105 IonicContact OD1-NE 2.89Å; D97-R105 PolarHBondContact OD1-NE 2.86Å; D97-R105 IonicContact OD1-NH2 2.83Å; D97-R105 PolarHBondContact OD1-NH2 2.85Å; D97-R105 IonicContact OD2-NE 3.92Å; D97-R105 IonicContact OD2-NH2 3.26Å; Y99-R105 CarbonylContact O-C 3.56Å; Y99-R105 WeakPolarHBondContact O-CA 3.27Å; K100-R105 HydrophobicContact CB-CG 4.39Å; K100-R105 HydrophobicContact CG-CB 4.37Å; K100-R105 HydrophobicContact CG-CG 4.29Å; R105-S124 CarbonylContact O-C 3.53Å; R105-L125 HydrophobicContact CB-CB 4.37Å; R105-L125 HydrophobicContact CB-CD1 4.23Å; R105-L125 HydrophobicContact CG-CD1 4.23Å; R105-L125 PolarHBondContact N-O 2.81Å; R105-L125 PolarHBondContact O-N 3.03Å
106	H	96.6	Very high	94.8	Very high	67 Å²	67	63.1 Å²	63.1	31%	0.31	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.6	169.3	-60.9	-86.1	0	0	0	107.5	N98 Y99 M123 S124	N98-H106 PolarHBondContact N-O 3.38Å; Y99-H106 AromaticContact CD1-CD2 3.88Å; Y99-H106 PolarHBondContact N-O 3.5Å; Y99-H106 PolarHBondContact O-N 3.36Å; H106-M123 WeakPolarHBondContact CA-O 3.13Å; H106-S124 PolarHBondContact CE1-OG 3.46Å; H106-S124 PolarHBondContact ND1-OG 3.4Å
107	C	96.8	Very high	94.9	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.007	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.7	180	60.3	0	0	0	0	111.3	V95 N96 M123	V95-C107 HydrophobicContact CG1-CB 4.1Å; N96-C107 CarbonylContact O-C 3.54Å; N96-C107 WeakPolarHBondContact O-CA 3.41Å; N96-C107 WeakPolarHBondContact O-CB 3.48Å; C107-M123 PolarHBondContact N-O 2.83Å; C107-M123 PolarHBondContact O-N 3.21Å
108	T	98.3	Very high	95	Very high	22 Å²	22	59.5 Å²	59.5	14%	0.135	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.6	170.1	-54.6	0	0	0	0	108.3	N96 N98 I121 D122	N96-T108 PolarHBondContact N-O 3.37Å; N96-T108 PolarHBondContact O-N 3.4Å; N98-T108 PolarHBondContact ND2-OG1 2.89Å; T108-I121 CarbonylContact C-O 3.6Å; T108-I121 VanDerWaalsContact CA-O 3.27Å; T108-I121 WeakPolarHBondContact CA-O 3.44Å; T108-D122 PolarHBondContact OG1-OD1 2.91Å
109	V	98.2	Very high	95.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	109.3	171.4	-169.3	0	0	0	0	108.6	A58 A62 F93 V94 V95 V111 I121	A58-V109 HydrophobicContact CB-CB 4.39Å; A58-V109 HydrophobicContact CB-CG1 3.9Å; A62-V109 HydrophobicContact CB-CG2 3.98Å; F93-V109 HydrophobicContact CB-CG1 4.13Å; F93-V109 HydrophobicContact CD1-CG1 4.2Å; V94-V109 WeakPolarHBondContact O-CA 3.38Å; V95-V109 HydrophobicContact CG1-CG2 4.41Å; V95-V109 HydrophobicContact CG2-CG1 4.2Å; V95-V109 HydrophobicContact CG2-CG2 4.18Å; V109-V111 HydrophobicContact CG1-CG2 4.43Å; V109-I121 HydrophobicContact CB-CB 4.27Å; V109-I121 PolarHBondContact N-O 3.48Å; V109-I121 PolarHBondContact O-N 2.81Å
110	S	98.4	Very high	95.3	Very high	34 Å²	34	51.3 Å²	51.3	24%	0.238	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	117.4	170.6	-58.2	0	0	0	0	108.9	V94	V94-S110 PolarHBondContact N-O 2.83Å; V94-S110 PolarHBondContact O-N 3.33Å
111	V	98.2	Very high	95.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.3	175.4	-167.5	0	0	0	0	108	A58 L91 L92 F93 V109 V118 I119	A58-V111 HydrophobicContact CB-CG2 4.43Å; L91-V111 HydrophobicContact CB-CG1 4Å; L91-V111 HydrophobicContact CD1-CG1 4.18Å; L91-V111 HydrophobicContact CD2-CG1 4.14Å; L91-V111 HydrophobicContact CG-CG1 4.35Å; L92-V111 CarbonylContact O-C 3.45Å; L92-V111 WeakPolarHBondContact O-CA 3.26Å; F93-V111 HydrophobicContact CD1-CB 4.41Å; F93-V111 HydrophobicContact CD1-CG1 4.05Å; F93-V111 HydrophobicContact CD1-CG2 3.75Å; F93-V111 HydrophobicContact CE1-CG1 3.81Å; F93-V111 HydrophobicContact CE1-CG2 3.93Å; F93-V111 HydrophobicContact CZ-CG1 4.43Å; V109-V111 HydrophobicContact CG1-CG2 4.43Å; V111-V118 HydrophobicContact CB-CG2 3.89Å; V111-V118 HydrophobicContact CG1-CG2 3.64Å; V111-V118 VanDerWaalsContact O-CG2 3.22Å; V111-V118 WeakPolarHBondContact O-CG2 3.45Å; V111-V118 PolarHBondContact O-N 2.83Å; V111-I119 HydrophobicContact CB-CB 4Å; V111-I119 HydrophobicContact CG2-CB 3.97Å; V111-I119 HydrophobicContact CG2-CG2 4.36Å; V111-I119 PolarHBondContact N-O 3.04Å; V111-I119 PolarHBondContact O-N 2.94Å
112	M	97.8	Very high	96	Very high	47 Å²	47	47.1 Å²	47.1	23%	0.232	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	144.4	-175.4	-55.3	-62.3	-65.3	0	0	110.6	L91 L92 M117	L91-M112 CarbonylContact C-O 3.52Å; L91-M112 WeakPolarHBondContact CA-O 3.21Å; L92-M112 HydrophobicContact CB-CB 4.28Å; L92-M112 PolarHBondContact N-O 2.82Å; L92-M112 PolarHBondContact O-N 2.99Å; M112-M117 HydrophobicContact CE-CB 4.13Å; M112-M117 VanDerWaalsContact SD-CA 3.5Å; M112-M117 HydrophobicContact SD-CB 3.53Å; M112-M117 VanDerWaalsContact SD-CB 3.53Å; M112-M117 HydrophobicContact SD-CG 3.85Å; M112-M117 HydrophobicContact SD-SD 4.47Å
113	Q	95.4	Very high	96.5	Very high	18 Å²	18	39.8 Å²	39.8	8%	0.084	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	118.4	164.7	-174.4	168.8	78	0	0	108.7	N86 Y89 L91 D115 T116 V118	N86-Q113 PolarHBondContact O-NE2 2.86Å; Y89-Q113 PolarHBondContact O-NE2 3.03Å; L91-Q113 HydrophobicContact CD2-CB 4.08Å; Q113-D115 PolarHBondContact O-N 3Å; Q113-T116 PolarHBondContact N-O 2.71Å; Q113-T116 PolarHBondContact O-N 3.47Å; Q113-V118 HydrophobicContact CB-CG1 3.9Å
114	K	93.7	Very high	96.8	Very high	143 Å²	143	37.6 Å²	37.6	62%	0.622	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	-120.4	-167.2	-55.1	179.4	180	-177.6	0	109.6	Y89	Y89-K114 PolarHBondContact OH-NZ 3.3Å
115	D	94.2	Very high	97	Very high	139 Å²	139	33 Å²	33	74%	0.743	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-2.1	179.4	62.1	-13.8	0	0	0	113.6	Q113	Q113-D115 PolarHBondContact O-N 3Å
116	T	96.6	Very high	96.9	Very high	45 Å²	45	37.5 Å²	37.5	28%	0.276	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.8	-173.4	-53.1	0	0	0	0	111.1	K83 Q113 V118	K83-T116 HydrophobicContact CD-CG2 3.61Å; Q113-T116 PolarHBondContact N-O 2.71Å; Q113-T116 PolarHBondContact O-N 3.47Å; T116-V118 PolarHBondContact O-N 2.79Å
117	M	97.7	Very high	96.5	Very high	63 Å²	63	37.3 Å²	37.3	31%	0.31	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	125.8	167.2	-170.9	163.2	59.7	0	0	109.6	M82 M112 I119	M82-M117 WeakPolarHBondContact CB-O 3.49Å; M82-M117 HydrophobicContact CE-CE 3.8Å; M82-M117 HydrophobicContact CG-CE 4.44Å; M82-M117 HydrophobicContact SD-CE 3.99Å; M82-M117 HydrophobicContact SD-CG 4.27Å; M112-M117 HydrophobicContact CE-CB 4.13Å; M112-M117 VanDerWaalsContact SD-CA 3.5Å; M112-M117 HydrophobicContact SD-CB 3.53Å; M112-M117 VanDerWaalsContact SD-CB 3.53Å; M112-M117 HydrophobicContact SD-CG 3.85Å; M112-M117 HydrophobicContact SD-SD 4.47Å; M117-I119 WeakPolarHBondContact CG-O 3.5Å
118	V	97.6	Very high	95.9	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-37.9	176.7	-65	0	0	0	0	111.2	M54 M82 K83 L91 V111 Q113 T116	M54-V118 HydrophobicContact SD-CG2 4.21Å; M82-V118 PolarHBondContact N-O 3.03Å; K83-V118 HydrophobicContact CB-CG1 4.36Å; K83-V118 PolarHBondContact N-O 3Å; K83-V118 WeakPolarHBondContact O-CB 3.32Å; L91-V118 HydrophobicContact CD2-CG2 3.9Å; V111-V118 HydrophobicContact CB-CG2 3.89Å; V111-V118 HydrophobicContact CG1-CG2 3.64Å; V111-V118 VanDerWaalsContact O-CG2 3.22Å; V111-V118 WeakPolarHBondContact O-CG2 3.45Å; V111-V118 PolarHBondContact O-N 2.83Å; Q113-V118 HydrophobicContact CB-CG1 3.9Å; T116-V118 PolarHBondContact O-N 2.79Å
119	I	98.1	Very high	95	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	142	-179.2	-61.6	-179.7	0	0	0	109.7	M54 V79 S80 F81 V111 M117 I121	M54-I119 HydrophobicContact CB-CD1 3.53Å; M54-I119 HydrophobicContact CE-CD1 3.61Å; M54-I119 HydrophobicContact CE-CG1 4.47Å; M54-I119 HydrophobicContact CG-CD1 4.16Å; M54-I119 HydrophobicContact SD-CD1 3.64Å; M54-I119 HydrophobicContact SD-CG1 4.34Å; V79-I119 HydrophobicContact CG1-CG2 3.48Å; V79-I119 VanDerWaalsContact CG1-CG2 3.48Å; S80-I119 WeakPolarHBondContact O-CA 3.41Å; F81-I119 HydrophobicContact CD1-CD1 3.57Å; F81-I119 HydrophobicContact CD1-CG1 3.67Å; F81-I119 HydrophobicContact CE1-CD1 3.45Å; F81-I119 VanDerWaalsContact CE1-CD1 3.45Å; F81-I119 HydrophobicContact CE1-CG1 4.08Å; V111-I119 HydrophobicContact CB-CB 4Å; V111-I119 HydrophobicContact CG2-CB 3.97Å; V111-I119 HydrophobicContact CG2-CG2 4.36Å; V111-I119 PolarHBondContact N-O 3.04Å; V111-I119 PolarHBondContact O-N 2.94Å; M117-I119 WeakPolarHBondContact CG-O 3.5Å; I119-I121 HydrophobicContact CG2-CD1 4.13Å; I119-I121 HydrophobicContact CG2-CG1 3.59Å
120	S	98.5	Very high	93.7	Very high	17 Å²	17	47.2 Å²	47.2	12%	0.119	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.6	160.9	-170	0	0	0	0	109.8	V79 S80	V79-S120 WeakPolarHBondContact CA-O 3.31Å; S80-S120 PolarHBondContact N-O 2.77Å; S80-S120 PolarHBondContact O-N 3.32Å
121	I	98.7	Very high	92.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	115.2	177.9	-49.1	-173.6	0	0	0	109.9	I55 A58 L77 H78 V79 T108 V109 I119 M123	I55-I121 HydrophobicContact CG1-CD1 4.28Å; A58-I121 HydrophobicContact CB-CD1 3.49Å; A58-I121 VanDerWaalsContact CB-CD1 3.49Å; L77-I121 HydrophobicContact CB-CG2 3.88Å; L77-I121 HydrophobicContact CD1-CG2 4.26Å; H78-I121 WeakPolarHBondContact O-CA 3.35Å; V79-I121 HydrophobicContact CG1-CG1 4.27Å; V79-I121 HydrophobicContact CG2-CD1 4.35Å; V79-I121 HydrophobicContact CG2-CG1 4.18Å; V79-I121 HydrophobicContact CG2-CG2 4.19Å; T108-I121 CarbonylContact C-O 3.6Å; T108-I121 VanDerWaalsContact CA-O 3.27Å; T108-I121 WeakPolarHBondContact CA-O 3.44Å; V109-I121 HydrophobicContact CB-CB 4.27Å; V109-I121 PolarHBondContact N-O 3.48Å; V109-I121 PolarHBondContact O-N 2.81Å; I119-I121 HydrophobicContact CG2-CD1 4.13Å; I119-I121 HydrophobicContact CG2-CG1 3.59Å; I121-M123 HydrophobicContact CG2-CE 4.17Å
122	D	98.6	Very high	91.8	Very high	72 Å²	72	62.5 Å²	62.5	39%	0.385	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.3	167.5	-69.2	-62.7	0	0	0	109.7	L77 H78 T108	L77-D122 CarbonylContact C-O 3.47Å; L77-D122 VanDerWaalsContact CA-O 3.26Å; L77-D122 WeakPolarHBondContact CA-O 3.07Å; H78-D122 HydrophobicContact CB-CB 4.47Å; H78-D122 PolarHBondContact N-O 2.97Å; H78-D122 PolarHBondContact O-N 3.13Å; T108-D122 PolarHBondContact OG1-OD1 2.91Å
123	M	97.9	Very high	91.3	Very high	3 Å²	3	64.3 Å²	64.3	2%	0.015	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.3	-171.3	-171.7	-178.6	-51	0	0	111.4	I59 A62 P74 S76 H106 C107 I121 L125	I59-M123 HydrophobicContact CB-CE 4.22Å; I59-M123 HydrophobicContact CG1-CE 3.46Å; I59-M123 VanDerWaalsContact CG1-CE 3.46Å; I59-M123 HydrophobicContact CG1-SD 4.36Å; A62-M123 HydrophobicContact CB-CE 4.22Å; A62-M123 HydrophobicContact CB-SD 4.1Å; P74-M123 HydrophobicContact CG-SD 4.47Å; S76-M123 WeakPolarHBondContact O-CA 3.1Å; H106-M123 WeakPolarHBondContact CA-O 3.13Å; C107-M123 PolarHBondContact N-O 2.83Å; C107-M123 PolarHBondContact O-N 3.21Å; I121-M123 HydrophobicContact CG2-CE 4.17Å; M123-L125 HydrophobicContact CG-CD1 3.95Å; M123-L125 HydrophobicContact CG-CG 4.31Å; M123-L125 HydrophobicContact SD-CD1 4.05Å; M123-L125 HydrophobicContact SD-CD2 4.48Å; M123-L125 HydrophobicContact SD-CG 4.25Å
124	S	96.5	Very high	91.2	Very high	14 Å²	14	69.9 Å²	69.9	10%	0.098	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.5	170.3	-59.5	0	0	0	0	109.5	R75 S76 R105 H106	R75-S124 PolarHBondContact N-O 2.85Å; R75-S124 PolarHBondContact NH2-OG 2.83Å; R75-S124 VanDerWaalsContact NH2-OG 3.09Å; S76-S124 PolarHBondContact N-O 3.04Å; S76-S124 PolarHBondContact O-N 3.43Å; R105-S124 CarbonylContact O-C 3.53Å; H106-S124 PolarHBondContact CE1-OG 3.46Å; H106-S124 PolarHBondContact ND1-OG 3.4Å
125	L	94.4	Very high	91.1	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.01	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147	173.5	-51.3	89.1	0	0	0	110	L72 V73 R104 R105 M123	L72-L125 HydrophobicContact CB-CB 3.69Å; L72-L125 HydrophobicContact CB-CD2 4.42Å; V73-L125 CarbonylContact O-C 3.56Å; V73-L125 WeakPolarHBondContact O-CA 3.21Å; R104-L125 WeakPolarHBondContact CA-O 3.35Å; R105-L125 HydrophobicContact CB-CB 4.37Å; R105-L125 HydrophobicContact CB-CD1 4.23Å; R105-L125 HydrophobicContact CG-CD1 4.23Å; R105-L125 PolarHBondContact N-O 2.81Å; R105-L125 PolarHBondContact O-N 3.03Å; M123-L125 HydrophobicContact CG-CD1 3.95Å; M123-L125 HydrophobicContact CG-CG 4.31Å; M123-L125 HydrophobicContact SD-CD1 4.05Å; M123-L125 HydrophobicContact SD-CD2 4.48Å; M123-L125 HydrophobicContact SD-CG 4.25Å
126	R	91.7	Very high	91.2	Very high	99 Å²	99	71.8 Å²	71.8	37%	0.374	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.3	-179.9	-165.9	-179.2	-174.2	153.6	1	111.5	L72 V73 L103 R104 E129	L72-R126 WeakPolarHBondContact CA-O 3.3Å; V73-R126 PolarHBondContact N-O 3.39Å; V73-R126 PolarHBondContact O-N 2.85Å; L103-R126 CarbonylContact O-C 3.49Å; L103-R126 VanDerWaalsContact O-CA 3.28Å; L103-R126 WeakPolarHBondContact O-CA 3.38Å; L103-R126 WeakPolarHBondContact O-CG 3.28Å; R104-R126 HydrophobicContact CG-CG 4.12Å; R126-E129 VanDerWaalsContact CZ-CD 3.48Å; R126-E129 IonicContact CZ-OE1 3.36Å; R126-E129 IonicContact CZ-OE2 2.73Å; R126-E129 VanDerWaalsContact NE-CD 3.32Å; R126-E129 IonicContact NE-OE1 3.61Å; R126-E129 PolarHBondContact NE-OE1 3.13Å; R126-E129 IonicContact NE-OE2 3.65Å; R126-E129 PolarHBondContact NE-OE2 3.17Å; R126-E129 IonicContact NH2-OE1 2.62Å; R126-E129 PolarHBondContact NH2-OE1 2.87Å; R126-E129 IonicContact NH2-OE2 2.85Å; R126-E129 PolarHBondContact NH2-OE2 2.91Å
127	K	89.4	Confident	91.1	Very high	64 Å²	64	72.3 Å²	72.3	28%	0.278	38%	0.381	S	S	.	.			trans	-67.2	143.3	168.5	-172.5	170.4	176.1	169.3	0	109.7	E70 L72 L103 E129	E70-K127 IonicContact OE2-NZ 2.7Å; E70-K127 PolarHBondContact OE2-NZ 3.47Å; L72-K127 HydrophobicContact CD2-CB 4.07Å; L72-K127 VanDerWaalsContact CD2-N 3.28Å; L103-K127 HydrophobicContact CD2-CB 4.47Å; L103-K127 HydrophobicContact CD2-CD 4.31Å; L103-K127 PolarHBondContact O-N 2.79Å; K127-E129 PolarHBondContact O-N 3.34Å; K127-E129 VanDerWaalsContact O-N 3.12Å
128	P	82.9	Confident	91	Very high	55 Å²	55	73.8 Å²	73.8	36%	0.357	39%	0.39	S	S	.	.			trans	-57.3	112.5	167.9	-30.4	39.2	0	0	0	113.1	K262	P128-K262 HydrophobicContact CB-CD 3.68Å; P128-K262 HydrophobicContact CG-CD 4.13Å
129	E	80.6	Confident	91	Very high	69 Å²	69	79 Å²	79	32%	0.322	43%	0.427	S	S	.	.			trans	-84.3	143.2	167.8	-76.8	161.6	-166.5	0	0	112.2	R126 K127 K262	R126-E129 VanDerWaalsContact CZ-CD 3.48Å; R126-E129 IonicContact CZ-OE1 3.36Å; R126-E129 IonicContact CZ-OE2 2.73Å; R126-E129 VanDerWaalsContact NE-CD 3.32Å; R126-E129 IonicContact NE-OE1 3.61Å; R126-E129 PolarHBondContact NE-OE1 3.13Å; R126-E129 IonicContact NE-OE2 3.65Å; R126-E129 PolarHBondContact NE-OE2 3.17Å; R126-E129 IonicContact NH2-OE1 2.62Å; R126-E129 PolarHBondContact NH2-OE1 2.87Å; R126-E129 IonicContact NH2-OE2 2.85Å; R126-E129 PolarHBondContact NH2-OE2 2.91Å; K127-E129 PolarHBondContact O-N 3.34Å; K127-E129 VanDerWaalsContact O-N 3.12Å; E129-K262 PolarHBondContact O-NZ 3.5Å
130	A	70.6	Confident	90.9	Very high	107 Å²	107	81.3 Å²	81.3	88%	0.884	44%	0.438	S	S	*	.			trans	-112.7	17.6	179	0	0	0	0	0	112.4
131	E	75.4	Confident	90.8	Very high	151 Å²	151	82.4 Å²	82.4	71%	0.706	45%	0.445	S	S	*	.			trans	-75.7	144.5	-175.5	-63.7	-177.7	-177.2	0	0	111.8	S133	E131-S133 PolarHBondContact O-N 2.8Å; E131-S133 PolarHBondContact O-OG 3.37Å
132	E	81.7	Confident	90.6	Very high	204 Å²	204	88.7 Å²	88.7	95%	0.953	49%	0.489	S	S	*	.			trans	-58.6	125.9	169.1	-170.5	174.7	-174.4	0	0	109
133	S	87.7	Confident	90.5	Very high	84 Å²	84	86.6 Å²	86.6	59%	0.587	48%	0.48	S	S	*	.			trans	-146.3	153.9	-173.5	47.2	0	0	0	0	110.6	E131 F135	E131-S133 PolarHBondContact O-N 2.8Å; E131-S133 PolarHBondContact O-OG 3.37Å; S133-F135 PolarHBondContact O-N 2.69Å
134	P	92.6	Very high	90.4	Very high	136 Å²	136	89.6 Å²	89.6	88%	0.883	50%	0.499	S	S	*	.			trans	-55.5	131.6	171.7	-23.9	34	0	0	0	110.7
135	F	91.9	Very high	90.4	Very high	150 Å²	150	92.4 Å²	92.4	66%	0.658	51%	0.511	S	S	*	.			trans	-129.6	125.8	-174.8	178.9	-97.6	0	0	0	111.7	S133 E137	S133-F135 PolarHBondContact O-N 2.69Å; F135-E137 HydrophobicContact CZ-CG 4.08Å; F135-E137 WeakPolarHBondContact CZ-OE1 3.17Å
136	H	95	Very high	90.5	Very high	172 Å²	172	92.3 Å²	92.3	80%	0.796	51%	0.511	S	S	*	.			trans	-152.3	152.2	163.3	66.6	-82	0	0	0	108.6
137	E	95.7	Very high	90.7	Very high	56 Å²	56	92.8 Å²	92.8	26%	0.262	52%	0.517	S	S	.	.			trans	-146.7	155	169.3	62.8	-176.7	144.5	0	0	109	F135 K296 L297	F135-E137 HydrophobicContact CZ-CG 4.08Å; F135-E137 WeakPolarHBondContact CZ-OE1 3.17Å; E137-K296 WeakPolarHBondContact OE1-CD 3.18Å; E137-K296 IonicContact OE1-NZ 2.79Å; E137-K296 PolarHBondContact OE1-NZ 2.93Å; E137-L297 PolarHBondContact OE2-N 2.87Å; E137-L297 VanDerWaalsContact OE2-N 3.08Å
138	D	96.1	Very high	91	Very high	94 Å²	94	95.7 Å²	95.7	50%	0.503	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-62.6	161.2	168.7	-82.1	-15.3	0	0	0	110.3	R289 W291	D138-R289 IonicContact OD2-NH1 2.62Å; D138-R289 PolarHBondContact OD2-NH1 2.88Å; D138-W291 HydrophobicContact CB-CH2 3.64Å; D138-W291 HydrophobicContact CB-CZ2 4.43Å; D138-W291 WeakPolarHBondContact O-CZ3 3.32Å
139	S	96.3	Very high	91.5	Very high	110 Å²	110	93.7 Å²	93.7	77%	0.769	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-85.5	140.5	170.4	-61.8	0	0	0	0	111.1
140	I	97.4	Very high	92	Very high	48 Å²	48	92.9 Å²	92.9	25%	0.246	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-53.6	139.4	168.8	-171.8	174.3	0	0	0	110.2	S142 W205 L271 W291	I140-S142 PolarHBondContact O-N 3.05Å; I140-W205 HydrophobicContact CD1-CH2 4.32Å; I140-L271 HydrophobicContact CD1-CB 4.09Å; I140-L271 HydrophobicContact CD1-CD2 3.84Å; I140-L271 HydrophobicContact CG1-CD2 3.68Å; I140-W291 HydrophobicContact CB-CB 4.48Å; I140-W291 HydrophobicContact CB-CD2 4.03Å; I140-W291 HydrophobicContact CB-CE3 3.89Å; I140-W291 HydrophobicContact CB-CG 4.3Å; I140-W291 HydrophobicContact CB-CZ3 4.38Å; I140-W291 HydrophobicContact CD1-CB 3.64Å; I140-W291 HydrophobicContact CD1-CG 4.17Å; I140-W291 HydrophobicContact CG1-CB 3.83Å; I140-W291 HydrophobicContact CG1-CD2 4.03Å; I140-W291 HydrophobicContact CG1-CE3 4.37Å; I140-W291 HydrophobicContact CG1-CG 3.78Å
141	P	95.4	Very high	92.7	Very high	41 Å²	41	94.8 Å²	94.8	27%	0.266	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-57	138.6	174.8	-26.2	34.1	0	0	0	112.8	C143 L271	P141-C143 PolarHBondContact O-N 2.86Å; P141-L271 HydrophobicContact CB-CD2 4.39Å; P141-L271 HydrophobicContact CG-CD2 4.4Å
142	S	95.4	Very high	92.5	Very high	132 Å²	132	94.9 Å²	94.9	92%	0.923	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-68.2	120.8	170.9	-174	0	0	0	0	109.9	I140	I140-S142 PolarHBondContact O-N 3.05Å
143	C	95.5	Very high	92	Very high	27 Å²	27	88.5 Å²	88.5	18%	0.182	48%	0.483	C	S	.	.			trans	-154.8	160.6	178.7	57.8	0	0	0	0	111.6	P141 V189	P141-C143 PolarHBondContact O-N 2.86Å; C143-V189 HydrophobicContact CB-CB 4.49Å; C143-V189 HydrophobicContact CB-CG1 3.51Å; C143-V189 HydrophobicContact CB-CG2 4.14Å
144	P	96.1	Very high	91.9	Very high	66 Å²	66	85.9 Å²	85.9	43%	0.429	47%	0.465	S	S	.	.			trans	-56.1	149.6	170.1	-23.9	34.7	0	0	0	112.4	D148 L149 W205	P144-D148 HydrophobicContact CB-CB 4.49Å; P144-L149 HydrophobicContact CB-CD2 3.98Å; P144-L149 HydrophobicContact CB-CG 4.2Å; P144-L149 HydrophobicContact CG-CD2 4.32Å; P144-W205 PolarHBondContact O-NE1 2.92Å
145	Q	96.4	Very high	91.7	Very high	73 Å²	73	79.4 Å²	79.4	34%	0.341	42%	0.423	S	S	.	.			trans	-71.2	154.5	175.4	-68.2	-62.5	-64.5	0	0	110.8	E147 D148	Q145-E147 PolarHBondContact O-N 3.21Å; Q145-E147 VanDerWaalsContact O-N 3.16Å; Q145-D148 PolarHBondContact O-N 2.68Å
146	P	96.1	Very high	91.6	Very high	1 Å²	1	72.5 Å²	72.5	1%	0.006	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-61.8	-26.2	-176.4	20.6	-29	0	0	0	113.5	D148 L149 R187 W205 W269	P146-D148 VanDerWaalsContact C-N 3.3Å; P146-L149 PolarHBondContact O-N 3.45Å; P146-R187 HydrophobicContact CB-CG 4.32Å; P146-W205 HydrophobicContact CB-CB 3.82Å; P146-W205 HydrophobicContact CB-CD2 4.19Å; P146-W205 HydrophobicContact CB-CG 3.72Å; P146-W205 HydrophobicContact CG-CB 4.49Å; P146-W205 HydrophobicContact CG-CD2 4.02Å; P146-W205 HydrophobicContact CG-CE3 4.35Å; P146-W205 HydrophobicContact CG-CG 4.09Å; P146-W269 HydrophobicContact CB-CD2 3.62Å; P146-W269 HydrophobicContact CB-CE3 3.98Å; P146-W269 HydrophobicContact CB-CG 4.05Å; P146-W269 HydrophobicContact CB-CH2 4.2Å; P146-W269 HydrophobicContact CB-CZ2 3.86Å; P146-W269 HydrophobicContact CB-CZ3 4.25Å; P146-W269 HydrophobicContact CG-CB 4.04Å; P146-W269 VanDerWaalsContact CG-CD1 3.48Å; P146-W269 HydrophobicContact CG-CD2 3.65Å; P146-W269 HydrophobicContact CG-CE3 4.36Å; P146-W269 HydrophobicContact CG-CG 3.49Å; P146-W269 VanDerWaalsContact CG-CG 3.49Å
147	E	96.3	Very high	91.3	Very high	109 Å²	109	68.1 Å²	68.1	51%	0.509	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-71.1	-23.8	175.8	-61.9	81.8	-175.8	0	0	113.3	Q145 R293	Q145-E147 PolarHBondContact O-N 3.21Å; Q145-E147 VanDerWaalsContact O-N 3.16Å; E147-R293 IonicContact OE1-CZ 3.12Å; E147-R293 IonicContact OE1-NH1 2.71Å; E147-R293 PolarHBondContact OE1-NH1 2.82Å; E147-R293 IonicContact OE1-NH2 3.78Å; E147-R293 PolarHBondContact OE1-NH2 3.26Å; E147-R293 IonicContact OE2-CZ 2.71Å; E147-R293 IonicContact OE2-NH2 3.18Å; E147-R293 PolarHBondContact OE2-NH2 2.71Å
148	D	95.4	Very high	90.9	Very high	125 Å²	125	66.4 Å²	66.4	67%	0.668	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-90.6	-2.1	179.3	-57.7	-44	0	0	0	112.8	P144 Q145 P146	P144-D148 HydrophobicContact CB-CB 4.49Å; Q145-D148 PolarHBondContact O-N 2.68Å; P146-D148 VanDerWaalsContact C-N 3.3Å
149	L	94.4	Very high	90.6	Very high	12 Å²	12	62 Å²	62	6%	0.063	34%	0.343	C	S	.	.	S	Bend	trans	-103.2	144	-176	-67.7	170.4	0	0	0	111.7	P144 P146 R187 V189	P144-L149 HydrophobicContact CB-CD2 3.98Å; P144-L149 HydrophobicContact CB-CG 4.2Å; P144-L149 HydrophobicContact CG-CD2 4.32Å; P146-L149 PolarHBondContact O-N 3.45Å; L149-R187 HydrophobicContact CB-CB 3.84Å; L149-R187 HydrophobicContact CB-CG 4.24Å; L149-R187 HydrophobicContact CD1-CB 3.86Å; L149-V189 HydrophobicContact CD1-CG2 3.93Å
150	P	90.4	Very high	90.3	Very high	52 Å²	52	57.8 Å²	57.8	34%	0.338	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-63.3	144.9	178	28.3	-35.9	0	0	0	111.5	D153 R187	P150-D153 HydrophobicContact CB-CB 3.91Å; P150-D153 HydrophobicContact CG-CB 3.6Å; P150-R187 WeakPolarHBondContact O-CD 3.13Å
151	K	85.9	Confident	89.9	Confident	147 Å²	147	62.4 Å²	62.4	64%	0.639	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	140	170	-53.1	-161	175	178.2	0	109.7	D153	K151-D153 PolarHBondContact O-N 2.93Å
152	H	71.4	Confident	89.5	Confident	154 Å²	154	64 Å²	64	71%	0.713	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	9.6	171.2	-49.1	-68.5	0	0	0	116
153	D	70.8	Confident	89.1	Confident	69 Å²	69	61.4 Å²	61.4	37%	0.369	31%	0.305	S	S	.	.			trans	-88.3	129.4	170.7	-151.9	7	0	0	0	108.6	P150 K151 H157	P150-D153 HydrophobicContact CB-CB 3.91Å; P150-D153 HydrophobicContact CG-CB 3.6Å; K151-D153 PolarHBondContact O-N 2.93Å; D153-H157 IonicContact OD1-CD2 3.71Å; D153-H157 PolarHBondContact OD1-CD2 3.46Å
154	S	85.6	Confident	88.7	Confident	29 Å²	29	67.5 Å²	67.5	20%	0.203	34%	0.336	C	S	.	.			trans	-151.4	166.5	175.1	69.1	0	0	0	0	108.3	F156 H157	S154-F156 PolarHBondContact O-N 2.96Å; S154-F156 PolarHBondContact OG-N 3.48Å; S154-H157 VanDerWaalsContact O-CB 3.26Å; S154-H157 WeakPolarHBondContact O-CB 3.45Å; S154-H157 PolarHBondContact O-N 3.23Å
155	W	88.1	Confident	88.3	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.7	-20.1	176.2	71.5	-94.1	0	0	0	113.3	H157 S158 Y159 F192 L197 N202 A234 R238 V241 F244	W155-H157 PolarHBondContact O-N 3.16Å; W155-S158 PolarHBondContact O-N 2.93Å; W155-Y159 PolarHBondContact O-N 2.91Å; W155-F192 HydrophobicContact CB-CB 4.39Å; W155-F192 HydrophobicContact CB-CD2 3.45Å; W155-F192 VanDerWaalsContact CB-CD2 3.45Å; W155-F192 HydrophobicContact CB-CE2 3.9Å; W155-F192 HydrophobicContact CB-CG 3.96Å; W155-L197 HydrophobicContact CB-CD2 3.73Å; W155-L197 HydrophobicContact CE3-CD2 4.26Å; W155-N202 PolarHBondContact NE1-OD1 3.05Å; W155-A234 HydrophobicContact CZ2-CB 4Å; W155-R238 VanDerWaalsContact CD1-NE 3.32Å; W155-R238 HydrophobicContact CD2-CG 3.79Å; W155-R238 HydrophobicContact CE3-CG 3.87Å; W155-R238 HydrophobicContact CG-CG 4.28Å; W155-R238 HydrophobicContact CH2-CB 4.32Å; W155-R238 HydrophobicContact CH2-CG 4.34Å; W155-R238 HydrophobicContact CZ2-CB 4.15Å; W155-R238 HydrophobicContact CZ2-CG 4.21Å; W155-R238 HydrophobicContact CZ3-CG 4.18Å; W155-V241 HydrophobicContact CE3-CG1 4.2Å; W155-V241 HydrophobicContact CH2-CG1 4.35Å; W155-V241 HydrophobicContact CZ3-CG1 3.5Å; W155-V241 VanDerWaalsContact CZ3-CG1 3.5Å; W155-F244 AromaticContact CH2-CE2 3.83Å; W155-F244 HydrophobicContact CH2-CE2 3.83Å; W155-F244 AromaticContact CH2-CZ 3.67Å; W155-F244 HydrophobicContact CH2-CZ 3.67Å; W155-F244 AromaticContact CZ3-CE2 3.97Å; W155-F244 HydrophobicContact CZ3-CE2 3.97Å; W155-F244 HydrophobicContact CZ3-CZ 4.01Å
156	F	90	Very high	88.1	Confident	6 Å²	6	66.2 Å²	66.2	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-29.7	170.7	-65	-72.4	0	0	0	112.5	S154 Y159 L160 V173 M176 T177 L231 A234	S154-F156 PolarHBondContact O-N 2.96Å; S154-F156 PolarHBondContact OG-N 3.48Å; F156-Y159 WeakPolarHBondContact O-CB 3.28Å; F156-Y159 PolarHBondContact O-N 3.38Å; F156-L160 VanDerWaalsContact O-CG 3.22Å; F156-L160 WeakPolarHBondContact O-CG 3.13Å; F156-L160 PolarHBondContact O-N 3.32Å; F156-V173 HydrophobicContact CB-CG1 3.86Å; F156-V173 HydrophobicContact CB-CG2 4.14Å; F156-V173 HydrophobicContact CD1-CB 4.44Å; F156-V173 HydrophobicContact CD1-CG1 4.18Å; F156-V173 HydrophobicContact CD1-CG2 3.9Å; F156-V173 HydrophobicContact CG-CG1 4.05Å; F156-V173 HydrophobicContact CG-CG2 4.38Å; F156-M176 HydrophobicContact CE1-CB 3.67Å; F156-M176 HydrophobicContact CE1-CG 4.12Å; F156-M176 HydrophobicContact CZ-CB 3.62Å; F156-M176 HydrophobicContact CZ-CG 4.44Å; F156-T177 HydrophobicContact CD2-CG2 3.53Å; F156-T177 HydrophobicContact CE1-CG2 4.43Å; F156-T177 HydrophobicContact CE2-CG2 3.37Å; F156-T177 HydrophobicContact CG-CG2 4.14Å; F156-T177 HydrophobicContact CZ-CG2 3.84Å; F156-L231 HydrophobicContact CE2-CD2 3.71Å; F156-L231 HydrophobicContact CZ-CD2 3.97Å; F156-A234 HydrophobicContact CZ-CB 3.89Å
157	H	88	Confident	87.8	Confident	80 Å²	80	73.7 Å²	73.7	37%	0.37	37%	0.366	S	S	.	.	H	α-helix	trans	-67.7	-43	173.1	-172.9	56	0	0	0	111.6	D153 S154 W155 Y159 L160 K161	D153-H157 IonicContact OD1-CD2 3.71Å; D153-H157 PolarHBondContact OD1-CD2 3.46Å; S154-H157 VanDerWaalsContact O-CB 3.26Å; S154-H157 WeakPolarHBondContact O-CB 3.45Å; S154-H157 PolarHBondContact O-N 3.23Å; W155-H157 PolarHBondContact O-N 3.16Å; H157-Y159 VanDerWaalsContact C-N 3.34Å; H157-L160 PolarHBondContact O-N 2.75Å; H157-K161 PolarHBondContact CD2-NZ 2.78Å; H157-K161 VanDerWaalsContact CE1-CE 3.48Å; H157-K161 WeakPolarHBondContact CE1-CE 3.49Å; H157-K161 WeakPolarHBondContact NE2-CE 3.18Å; H157-K161 PolarHBondContact NE2-NZ 3.48Å; H157-K161 WeakPolarHBondContact O-CG 3.34Å; H157-K161 PolarHBondContact O-N 2.76Å; H157-K161 VanDerWaalsContact O-N 3.08Å
158	S	88.2	Confident	87.4	Confident	20 Å²	20	72.5 Å²	72.5	14%	0.14	36%	0.363	C	S	.	.	H	α-helix	trans	-62.9	-41.5	173.7	-57.9	0	0	0	0	111.2	W155 K161 M162 F192	W155-S158 PolarHBondContact O-N 2.93Å; S158-K161 PolarHBondContact O-N 2.81Å; S158-M162 VanDerWaalsContact O-CB 3.3Å; S158-M162 WeakPolarHBondContact O-CB 3.48Å; S158-M162 PolarHBondContact O-N 3.42Å; S158-F192 PolarHBondContact OG-O 3.34Å
159	Y	89.3	Confident	87.1	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-56.1	-52.1	172.3	168.3	-99.6	0	0	0	112.5	W155 F156 H157 K161 M162 R163 D169 V173 V241 F244	W155-Y159 PolarHBondContact O-N 2.91Å; F156-Y159 WeakPolarHBondContact O-CB 3.28Å; F156-Y159 PolarHBondContact O-N 3.38Å; H157-Y159 VanDerWaalsContact C-N 3.34Å; Y159-K161 VanDerWaalsContact C-N 3.32Å; Y159-K161 PolarHBondContact O-N 3.11Å; Y159-M162 HydrophobicContact CD2-CE 4.26Å; Y159-M162 PolarHBondContact O-N 2.69Å; Y159-R163 HydrophobicContact CD2-CG 4.37Å; Y159-R163 HydrophobicContact CE2-CG 4.09Å; Y159-R163 PolarHBondContact O-N 2.81Å; Y159-R163 VanDerWaalsContact O-N 3.12Å; Y159-R163 WeakPolarHBondContact OH-CD 3.36Å; Y159-D169 HydrophobicContact CE1-CB 4.08Å; Y159-D169 PolarHBondContact OH-OD1 3.32Å; Y159-V173 HydrophobicContact CD1-CG2 3.9Å; Y159-V173 HydrophobicContact CE1-CG2 4.09Å; Y159-V241 HydrophobicContact CD2-CB 3.7Å; Y159-V241 HydrophobicContact CD2-CG1 3.59Å; Y159-V241 HydrophobicContact CE2-CB 4Å; Y159-V241 HydrophobicContact CE2-CG1 4.16Å; Y159-V241 HydrophobicContact CG-CG1 4.44Å; Y159-F244 HydrophobicContact CD2-CD2 4.15Å; Y159-F244 HydrophobicContact CD2-CE2 4.3Å; Y159-F244 HydrophobicContact CE1-CD2 4.21Å; Y159-F244 HydrophobicContact CE2-CB 4.16Å; Y159-F244 AromaticContact CE2-CD2 3.4Å; Y159-F244 HydrophobicContact CE2-CD2 3.4Å; Y159-F244 AromaticContact CE2-CE2 3.99Å; Y159-F244 HydrophobicContact CE2-CE2 3.99Å; Y159-F244 AromaticContact CE2-CG 3.96Å; Y159-F244 HydrophobicContact CE2-CG 3.96Å; Y159-F244 AromaticContact CZ-CD2 3.46Å; Y159-F244 VanDerWaalsContact CZ-CD2 3.46Å; Y159-F244 WeakPolarHBondContact OH-CB 3.4Å
160	L	91	Very high	86.9	Confident	23 Å²	23	72.8 Å²	72.8	12%	0.12	36%	0.355	C	S	.	.	H	α-helix	trans	-61.9	-40.7	-178	-71.2	168.3	0	0	0	111.8	F156 H157 D164 A165 D169 Y170 V173	F156-L160 VanDerWaalsContact O-CG 3.22Å; F156-L160 WeakPolarHBondContact O-CG 3.13Å; F156-L160 PolarHBondContact O-N 3.32Å; H157-L160 PolarHBondContact O-N 2.75Å; L160-D164 PolarHBondContact O-N 3.41Å; L160-A165 HydrophobicContact CB-CB 3.98Å; L160-A165 HydrophobicContact CD2-CB 3.47Å; L160-A165 VanDerWaalsContact CD2-CB 3.47Å; L160-A165 HydrophobicContact CG-CB 4.33Å; L160-A165 WeakPolarHBondContact O-CB 3Å; L160-A165 PolarHBondContact O-N 2.91Å; L160-A165 VanDerWaalsContact O-N 3.09Å; L160-D169 HydrophobicContact CD2-CB 4.05Å; L160-Y170 HydrophobicContact CD1-CD1 4.11Å; L160-Y170 HydrophobicContact CD1-CE1 3.75Å; L160-Y170 HydrophobicContact CD2-CD1 4.03Å; L160-Y170 HydrophobicContact CD2-CE1 4.07Å; L160-Y170 HydrophobicContact CD2-CG 4.27Å; L160-Y170 HydrophobicContact CG-CE1 4.49Å; L160-V173 HydrophobicContact CD1-CG2 4.27Å; L160-V173 HydrophobicContact CD2-CG2 3.88Å; L160-V173 HydrophobicContact CG-CG2 4.03Å
161	K	88.5	Confident	86.8	Confident	144 Å²	144	74.2 Å²	74.2	63%	0.626	36%	0.358	S	S	*	.	H	α-helix	trans	-66	-45.5	176	-74.2	175.1	174.9	172.3	0	112.7	H157 S158 Y159 R163 D164	H157-K161 PolarHBondContact CD2-NZ 2.78Å; H157-K161 VanDerWaalsContact CE1-CE 3.48Å; H157-K161 WeakPolarHBondContact CE1-CE 3.49Å; H157-K161 WeakPolarHBondContact NE2-CE 3.18Å; H157-K161 PolarHBondContact NE2-NZ 3.48Å; H157-K161 WeakPolarHBondContact O-CG 3.34Å; H157-K161 PolarHBondContact O-N 2.76Å; H157-K161 VanDerWaalsContact O-N 3.08Å; S158-K161 PolarHBondContact O-N 2.81Å; Y159-K161 VanDerWaalsContact C-N 3.32Å; Y159-K161 PolarHBondContact O-N 3.11Å; K161-R163 PolarHBondContact O-N 2.89Å; K161-D164 PolarHBondContact O-N 2.86Å
162	M	86.3	Confident	86.8	Confident	75 Å²	75	68.3 Å²	68.3	37%	0.369	33%	0.333	S	S	.	.	H	α-helix	trans	-59.2	-35.3	-179.8	179.4	-164.7	69.4	0	0	111.6	S158 Y159 V241	S158-M162 VanDerWaalsContact O-CB 3.3Å; S158-M162 WeakPolarHBondContact O-CB 3.48Å; S158-M162 PolarHBondContact O-N 3.42Å; Y159-M162 HydrophobicContact CD2-CE 4.26Å; Y159-M162 PolarHBondContact O-N 2.69Å; M162-V241 HydrophobicContact CE-CB 4.3Å; M162-V241 HydrophobicContact CE-CG2 3.94Å
163	R	86.7	Confident	87.7	Confident	78 Å²	78	62 Å²	62	29%	0.294	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.9	-176.5	-72.4	-164.3	63.7	89.6	4.6	115.6	Y159 K161 A165 D169	Y159-R163 HydrophobicContact CD2-CG 4.37Å; Y159-R163 HydrophobicContact CE2-CG 4.09Å; Y159-R163 PolarHBondContact O-N 2.81Å; Y159-R163 VanDerWaalsContact O-N 3.12Å; Y159-R163 WeakPolarHBondContact OH-CD 3.36Å; K161-R163 PolarHBondContact O-N 2.89Å; R163-A165 VanDerWaalsContact C-N 3.3Å; R163-D169 VanDerWaalsContact CD-OD1 3.25Å; R163-D169 WeakPolarHBondContact CD-OD1 3.47Å; R163-D169 IonicContact CZ-OD1 2.8Å; R163-D169 IonicContact CZ-OD2 2.85Å; R163-D169 VanDerWaalsContact NE-CG 3.25Å; R163-D169 IonicContact NE-OD1 3.18Å; R163-D169 PolarHBondContact NE-OD1 3.48Å; R163-D169 IonicContact NE-OD2 3.25Å; R163-D169 PolarHBondContact NE-OD2 3.44Å; R163-D169 IonicContact NH2-OD2 3.96Å
164	D	87.8	Confident	88.4	Confident	155 Å²	155	60.5 Å²	60.5	83%	0.829	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	57.3	-162.4	-166.9	34.1	0	0	0	110	L160 K161 D166	L160-D164 PolarHBondContact O-N 3.41Å; K161-D164 PolarHBondContact O-N 2.86Å; D164-D166 PolarHBondContact O-N 3.11Å
165	A	88.6	Confident	88.5	Confident	25 Å²	25	61.9 Å²	61.9	21%	0.207	30%	0.301	C	S	.	.			trans	-48.2	134.1	-159.6	0	0	0	0	0	115.4	L160 R163 D169 Y170	L160-A165 HydrophobicContact CB-CB 3.98Å; L160-A165 HydrophobicContact CD2-CB 3.47Å; L160-A165 VanDerWaalsContact CD2-CB 3.47Å; L160-A165 HydrophobicContact CG-CB 4.33Å; L160-A165 WeakPolarHBondContact O-CB 3Å; L160-A165 PolarHBondContact O-N 2.91Å; L160-A165 VanDerWaalsContact O-N 3.09Å; R163-A165 VanDerWaalsContact C-N 3.3Å; A165-D169 HydrophobicContact CB-CB 3.8Å; A165-Y170 HydrophobicContact CB-CD2 4.35Å; A165-Y170 HydrophobicContact CB-CE2 3.89Å
166	D	91	Very high	88.5	Confident	87 Å²	87	63.1 Å²	63.1	47%	0.465	31%	0.307	S	S	.	.			trans	-98	-175.7	168.4	69.3	17.6	0	0	0	112	D164 L168 D169 Y170	D164-D166 PolarHBondContact O-N 3.11Å; D166-L168 VanDerWaalsContact C-N 3.26Å; D166-L168 PolarHBondContact O-N 2.84Å; D166-L168 WeakPolarHBondContact OD1-CA 3.12Å; D166-L168 VanDerWaalsContact OD1-CB 3.3Å; D166-L168 WeakPolarHBondContact OD1-CB 3.49Å; D166-L168 PolarHBondContact OD1-N 3.06Å; D166-D169 PolarHBondContact O-N 2.92Å; D166-D169 PolarHBondContact OD1-N 2.96Å; D166-Y170 WeakPolarHBondContact O-CD2 3.49Å; D166-Y170 PolarHBondContact O-N 3.44Å
167	E	89.6	Confident	88.4	Confident	158 Å²	158	63.5 Å²	63.5	74%	0.738	31%	0.31	S	S	*	.	H	α-helix	trans	-58.5	-35.7	179.4	-170.8	177.5	-174.8	0	0	113	Y170 M171	E167-Y170 PolarHBondContact O-N 3.08Å; E167-M171 WeakPolarHBondContact O-CG 3.44Å; E167-M171 PolarHBondContact O-N 3.2Å
168	L	88	Confident	88.3	Confident	84 Å²	84	60.1 Å²	60.1	44%	0.44	30%	0.295	S	S	.	.	H	α-helix	trans	-66.1	-41.3	179.3	175.3	63.7	0	0	0	110.6	D166 Y170 M171 I172	D166-L168 VanDerWaalsContact C-N 3.26Å; D166-L168 PolarHBondContact O-N 2.84Å; D166-L168 WeakPolarHBondContact OD1-CA 3.12Å; D166-L168 VanDerWaalsContact OD1-CB 3.3Å; D166-L168 WeakPolarHBondContact OD1-CB 3.49Å; D166-L168 PolarHBondContact OD1-N 3.06Å; L168-Y170 PolarHBondContact O-N 3.47Å; L168-M171 WeakPolarHBondContact O-CB 3.45Å; L168-M171 PolarHBondContact O-N 3.24Å; L168-I172 HydrophobicContact CD1-CD1 4.26Å; L168-I172 HydrophobicContact CD1-CG1 4.41Å; L168-I172 HydrophobicContact CG-CD1 4.03Å; L168-I172 VanDerWaalsContact O-CG1 3.31Å; L168-I172 WeakPolarHBondContact O-CG1 3.38Å; L168-I172 PolarHBondContact O-N 3.28Å
169	D	90.6	Very high	88	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-42.5	177.7	-74.5	-44.7	0	0	0	112.2	Y159 L160 R163 A165 D166 M171 I172 V173	Y159-D169 HydrophobicContact CE1-CB 4.08Å; Y159-D169 PolarHBondContact OH-OD1 3.32Å; L160-D169 HydrophobicContact CD2-CB 4.05Å; R163-D169 VanDerWaalsContact CD-OD1 3.25Å; R163-D169 WeakPolarHBondContact CD-OD1 3.47Å; R163-D169 IonicContact CZ-OD1 2.8Å; R163-D169 IonicContact CZ-OD2 2.85Å; R163-D169 VanDerWaalsContact NE-CG 3.25Å; R163-D169 IonicContact NE-OD1 3.18Å; R163-D169 PolarHBondContact NE-OD1 3.48Å; R163-D169 IonicContact NE-OD2 3.25Å; R163-D169 PolarHBondContact NE-OD2 3.44Å; R163-D169 IonicContact NH2-OD2 3.96Å; A165-D169 HydrophobicContact CB-CB 3.8Å; D166-D169 PolarHBondContact O-N 2.92Å; D166-D169 PolarHBondContact OD1-N 2.96Å; D169-M171 PolarHBondContact O-N 3.29Å; D169-I172 PolarHBondContact O-N 3.44Å; D169-V173 WeakPolarHBondContact O-CG2 3.32Å; D169-V173 PolarHBondContact O-N 2.92Å
170	Y	89.9	Confident	87.8	Confident	140 Å²	140	59.5 Å²	59.5	55%	0.549	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-38.9	173.6	-76.5	-75.1	0	0	0	112.7	L160 A165 D166 E167 L168 I172 V173 D174	L160-Y170 HydrophobicContact CD1-CD1 4.11Å; L160-Y170 HydrophobicContact CD1-CE1 3.75Å; L160-Y170 HydrophobicContact CD2-CD1 4.03Å; L160-Y170 HydrophobicContact CD2-CE1 4.07Å; L160-Y170 HydrophobicContact CD2-CG 4.27Å; L160-Y170 HydrophobicContact CG-CE1 4.49Å; A165-Y170 HydrophobicContact CB-CD2 4.35Å; A165-Y170 HydrophobicContact CB-CE2 3.89Å; D166-Y170 WeakPolarHBondContact O-CD2 3.49Å; D166-Y170 PolarHBondContact O-N 3.44Å; E167-Y170 PolarHBondContact O-N 3.08Å; L168-Y170 PolarHBondContact O-N 3.47Å; Y170-I172 VanDerWaalsContact C-N 3.35Å; Y170-V173 PolarHBondContact O-N 2.9Å; Y170-D174 PolarHBondContact O-N 3.47Å
171	M	86.8	Confident	87	Confident	81 Å²	81	60 Å²	60	40%	0.399	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-39	175.4	-73.6	178.8	65	0	0	112.4	A45 E167 L168 D169 M175	A45-M171 HydrophobicContact CB-CB 4.12Å; A45-M171 HydrophobicContact CB-CE 3.96Å; A45-M171 HydrophobicContact CB-CG 4.37Å; E167-M171 WeakPolarHBondContact O-CG 3.44Å; E167-M171 PolarHBondContact O-N 3.2Å; L168-M171 WeakPolarHBondContact O-CB 3.45Å; L168-M171 PolarHBondContact O-N 3.24Å; D169-M171 PolarHBondContact O-N 3.29Å; M171-M175 WeakPolarHBondContact O-CB 3.31Å; M171-M175 PolarHBondContact O-N 3.17Å
172	I	87.7	Confident	86.4	Confident	24 Å²	24	61.2 Å²	61.2	12%	0.123	30%	0.303	C	S	.	.	H	α-helix	trans	-64	-45.3	175.7	-69.2	166.8	0	0	0	110	L168 D169 Y170 M175 M176 F244	L168-I172 HydrophobicContact CD1-CD1 4.26Å; L168-I172 HydrophobicContact CD1-CG1 4.41Å; L168-I172 HydrophobicContact CG-CD1 4.03Å; L168-I172 VanDerWaalsContact O-CG1 3.31Å; L168-I172 WeakPolarHBondContact O-CG1 3.38Å; L168-I172 PolarHBondContact O-N 3.28Å; D169-I172 PolarHBondContact O-N 3.44Å; Y170-I172 VanDerWaalsContact C-N 3.35Å; I172-M175 PolarHBondContact O-N 3.36Å; I172-M176 HydrophobicContact CG2-CE 4.31Å; I172-M176 HydrophobicContact CG2-CG 4.34Å; I172-M176 VanDerWaalsContact O-CG 3.24Å; I172-M176 WeakPolarHBondContact O-CG 3.35Å; I172-M176 PolarHBondContact O-N 2.62Å; I172-F244 HydrophobicContact CD1-CB 4.22Å; I172-F244 HydrophobicContact CG2-CB 4.44Å; I172-F244 HydrophobicContact CG2-CD2 3.75Å; I172-F244 HydrophobicContact CG2-CE2 4.44Å; I172-F244 HydrophobicContact CG2-CG 4.37Å
173	V	89.5	Confident	86.2	Confident	20 Å²	20	58.2 Å²	58.2	12%	0.121	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-45.5	177.2	174.1	0	0	0	0	111.8	F156 Y159 L160 D169 Y170 M175 M176 T177	F156-V173 HydrophobicContact CB-CG1 3.86Å; F156-V173 HydrophobicContact CB-CG2 4.14Å; F156-V173 HydrophobicContact CD1-CB 4.44Å; F156-V173 HydrophobicContact CD1-CG1 4.18Å; F156-V173 HydrophobicContact CD1-CG2 3.9Å; F156-V173 HydrophobicContact CG-CG1 4.05Å; F156-V173 HydrophobicContact CG-CG2 4.38Å; Y159-V173 HydrophobicContact CD1-CG2 3.9Å; Y159-V173 HydrophobicContact CE1-CG2 4.09Å; L160-V173 HydrophobicContact CD1-CG2 4.27Å; L160-V173 HydrophobicContact CD2-CG2 3.88Å; L160-V173 HydrophobicContact CG-CG2 4.03Å; D169-V173 WeakPolarHBondContact O-CG2 3.32Å; D169-V173 PolarHBondContact O-N 2.92Å; Y170-V173 PolarHBondContact O-N 2.9Å; V173-M175 VanDerWaalsContact C-N 3.32Å; V173-M175 PolarHBondContact O-N 2.99Å; V173-M176 PolarHBondContact O-N 2.94Å; V173-T177 HydrophobicContact CG1-CG2 4.1Å; V173-T177 WeakPolarHBondContact O-CB 3.43Å; V173-T177 VanDerWaalsContact O-CG2 3.27Å; V173-T177 WeakPolarHBondContact O-CG2 3.3Å; V173-T177 PolarHBondContact O-N 2.8Å; V173-T177 PolarHBondContact O-OG1 2.78Å
174	D	85.9	Confident	86.4	Confident	39 Å²	39	54.7 Å²	54.7	21%	0.209	28%	0.276	C	S	.	.	H	α-helix	trans	-55.2	-48.8	174.5	175.7	69.1	0	0	0	111.1	V44 A45 Y170 M176 T177 K178	V44-D174 WeakPolarHBondContact CB-OD2 3.22Å; V44-D174 PolarHBondContact N-OD2 3.29Å; A45-D174 PolarHBondContact N-OD2 2.87Å; Y170-D174 PolarHBondContact O-N 3.47Å; D174-M176 PolarHBondContact O-N 3.17Å; D174-T177 PolarHBondContact O-N 3.5Å; D174-K178 PolarHBondContact O-N 3.48Å
175	M	86.2	Confident	86.6	Confident	58 Å²	58	48.9 Å²	48.9	29%	0.286	25%	0.245	S	C	.	.	H	α-helix	trans	-59.4	-46	178.6	-176.2	-178.6	-171.6	0	0	112.7	I43 M171 I172 V173 T177 I250	I43-M175 HydrophobicContact CG2-CB 4.39Å; I43-M175 HydrophobicContact CG2-CG 4.44Å; M171-M175 WeakPolarHBondContact O-CB 3.31Å; M171-M175 PolarHBondContact O-N 3.17Å; I172-M175 PolarHBondContact O-N 3.36Å; V173-M175 VanDerWaalsContact C-N 3.32Å; V173-M175 PolarHBondContact O-N 2.99Å; M175-T177 VanDerWaalsContact C-N 3.35Å; M175-I250 HydrophobicContact CE-CG2 3.24Å; M175-I250 HydrophobicContact SD-CG2 3.84Å
176	M	88.6	Confident	86.8	Confident	25 Å²	25	49.1 Å²	49.1	12%	0.123	24%	0.242	C	C	.	.	H	α-helix	trans	-69.5	-33.6	-178.4	-67.3	-67.4	179.3	0	0	112.4	F156 I172 V173 D174 L231 A234 L237 I250	F156-M176 HydrophobicContact CE1-CB 3.67Å; F156-M176 HydrophobicContact CE1-CG 4.12Å; F156-M176 HydrophobicContact CZ-CB 3.62Å; F156-M176 HydrophobicContact CZ-CG 4.44Å; I172-M176 HydrophobicContact CG2-CE 4.31Å; I172-M176 HydrophobicContact CG2-CG 4.34Å; I172-M176 VanDerWaalsContact O-CG 3.24Å; I172-M176 WeakPolarHBondContact O-CG 3.35Å; I172-M176 PolarHBondContact O-N 2.62Å; V173-M176 PolarHBondContact O-N 2.94Å; D174-M176 PolarHBondContact O-N 3.17Å; M176-L231 WeakPolarHBondContact O-CD2 3.26Å; M176-A234 HydrophobicContact SD-CB 4.5Å; M176-L237 HydrophobicContact CE-CD1 3.44Å; M176-L237 VanDerWaalsContact CE-CD1 3.44Å; M176-L237 HydrophobicContact SD-CD1 4.36Å; M176-I250 HydrophobicContact CE-CD1 3.43Å; M176-I250 VanDerWaalsContact CE-CD1 3.43Å; M176-I250 HydrophobicContact SD-CD1 3.63Å
177	T	89.1	Confident	86.9	Confident	15 Å²	15	45.5 Å²	45.5	9%	0.092	22%	0.222	C	C	.	.	H	α-helix	trans	-97.4	-1.1	-173.7	65.4	0	0	0	0	114.4	F156 V173 D174 M175 G179 L180 S181 L231	F156-T177 HydrophobicContact CD2-CG2 3.53Å; F156-T177 HydrophobicContact CE1-CG2 4.43Å; F156-T177 HydrophobicContact CE2-CG2 3.37Å; F156-T177 HydrophobicContact CG-CG2 4.14Å; F156-T177 HydrophobicContact CZ-CG2 3.84Å; V173-T177 HydrophobicContact CG1-CG2 4.1Å; V173-T177 WeakPolarHBondContact O-CB 3.43Å; V173-T177 VanDerWaalsContact O-CG2 3.27Å; V173-T177 WeakPolarHBondContact O-CG2 3.3Å; V173-T177 PolarHBondContact O-N 2.8Å; V173-T177 PolarHBondContact O-OG1 2.78Å; D174-T177 PolarHBondContact O-N 3.5Å; M175-T177 VanDerWaalsContact C-N 3.35Å; T177-G179 PolarHBondContact O-N 2.84Å; T177-L180 PolarHBondContact O-N 3.29Å; T177-S181 WeakPolarHBondContact CB-OG 3.39Å; T177-S181 PolarHBondContact O-N 2.81Å; T177-S181 PolarHBondContact O-OG 3.26Å; T177-S181 PolarHBondContact OG1-OG 2.77Å; T177-L231 HydrophobicContact CG2-CD2 4.43Å
178	K	84.6	Confident	87.1	Confident	9 Å²	9	38.5 Å²	38.5	4%	0.039	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-36.7	-176.6	174.6	60.8	-168.4	143	0	114	E41 I43 F50 D174 L180	E41-K178 IonicContact OE1-NZ 3.05Å; E41-K178 PolarHBondContact OE1-NZ 3.37Å; E41-K178 IonicContact OE2-NZ 2.85Å; E41-K178 PolarHBondContact OE2-NZ 3.45Å; I43-K178 HydrophobicContact CG1-CB 4.35Å; I43-K178 HydrophobicContact CG1-CG 4.01Å; F50-K178 HydrophobicContact CB-CG 4.21Å; D174-K178 PolarHBondContact O-N 3.48Å; K178-L180 PolarHBondContact O-N 3.26Å
179	G	82.1	Confident	87.4	Confident	2 Å²	2	35.2 Å²	35.2	2%	0.021	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-3	178.1	0	0	0	0	0	115	F50 T177 Y226 S230	F50-G179 VanDerWaalsContact CE1-CA 3.48Å; T177-G179 PolarHBondContact O-N 2.84Å; G179-Y226 VanDerWaalsContact O-CE1 3.3Å; G179-Y226 WeakPolarHBondContact O-CE1 3.12Å; G179-S230 VanDerWaalsContact CA-OG 3.28Å; G179-S230 WeakPolarHBondContact CA-OG 3.15Å; G179-S230 PolarHBondContact O-OG 2.98Å
180	L	84.8	Confident	87.2	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-50.5	178.4	-67.2	176.8	0	0	0	112.6	T177 K178 H182 T183 F184 F204 V206 L231	T177-L180 PolarHBondContact O-N 3.29Å; K178-L180 PolarHBondContact O-N 3.26Å; L180-H182 PolarHBondContact O-N 2.83Å; L180-T183 PolarHBondContact O-N 2.87Å; L180-F184 HydrophobicContact CD2-CD2 4.09Å; L180-F184 PolarHBondContact O-N 2.93Å; L180-F204 HydrophobicContact CD1-CD2 4.16Å; L180-F204 HydrophobicContact CD1-CE1 4.34Å; L180-F204 HydrophobicContact CD1-CE2 3.56Å; L180-F204 HydrophobicContact CD1-CZ 3.61Å; L180-F204 HydrophobicContact CD2-CE2 3.68Å; L180-F204 HydrophobicContact CD2-CZ 4.14Å; L180-F204 HydrophobicContact CG-CE2 4.27Å; L180-F204 HydrophobicContact CG-CZ 4.42Å; L180-V206 HydrophobicContact CD2-CG2 3.97Å; L180-L231 HydrophobicContact CD1-CD1 3.3Å; L180-L231 HydrophobicContact CD1-CD2 4.33Å; L180-L231 HydrophobicContact CD1-CG 3.52Å; L180-L231 HydrophobicContact CG-CG 4.45Å
181	S	75.5	Confident	86.7	Confident	33 Å²	33	36.3 Å²	36.3	23%	0.231	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	127.9	-175.1	-67	0	0	0	0	110.7	T177 T183	T177-S181 WeakPolarHBondContact CB-OG 3.39Å; T177-S181 PolarHBondContact O-N 2.81Å; T177-S181 PolarHBondContact O-OG 3.26Å; T177-S181 PolarHBondContact OG1-OG 2.77Å; S181-T183 PolarHBondContact O-N 2.81Å
182	H	75.1	Confident	86	Confident	170 Å²	170	33.3 Å²	33.3	79%	0.787	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	-8.6	-177.4	-44.9	-68.9	0	0	0	116.5	L180	L180-H182 PolarHBondContact O-N 2.83Å
183	T	81.6	Confident	84.9	Confident	13 Å²	13	40.7 Å²	40.7	8%	0.08	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-36.2	179.3	-50.8	0	0	0	0	112.1	L20 L180 S181 H209 Y226	L20-T183 HydrophobicContact CB-CG2 4.03Å; L20-T183 HydrophobicContact CD1-CG2 3.84Å; L20-T183 HydrophobicContact CD2-CG2 3.77Å; L20-T183 HydrophobicContact CG-CG2 4.08Å; L180-T183 PolarHBondContact O-N 2.87Å; S181-T183 PolarHBondContact O-N 2.81Å; T183-H209 PolarHBondContact O-CD2 3.35Å; T183-H209 VanDerWaalsContact O-CD2 3.29Å; T183-Y226 HydrophobicContact CG2-CE1 4.08Å
184	F	90.7	Very high	83.7	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.6	-176.3	-58.5	-85.1	0	0	0	112	L20 L180 N186 V206 K207 A208 I223 Y226 I227	L20-F184 HydrophobicContact CD2-CE1 3.59Å; L20-F184 HydrophobicContact CD2-CE2 4.19Å; L20-F184 HydrophobicContact CD2-CZ 3.3Å; L180-F184 HydrophobicContact CD2-CD2 4.09Å; L180-F184 PolarHBondContact O-N 2.93Å; F184-N186 PolarHBondContact O-N 2.88Å; F184-N186 PolarHBondContact O-ND2 3.45Å; F184-V206 HydrophobicContact CB-CG2 3.59Å; F184-V206 HydrophobicContact CD1-CG2 3.89Å; F184-V206 HydrophobicContact CD2-CG2 4.29Å; F184-V206 HydrophobicContact CG-CG2 3.67Å; F184-K207 WeakPolarHBondContact CA-O 3.4Å; F184-K207 WeakPolarHBondContact CB-O 3.35Å; F184-A208 HydrophobicContact CD1-CB 4.42Å; F184-A208 HydrophobicContact CE1-CB 4.46Å; F184-I223 HydrophobicContact CE1-CG2 3.66Å; F184-I223 HydrophobicContact CZ-CG2 3.84Å; F184-Y226 AromaticContact CE2-CD1 3.57Å; F184-Y226 HydrophobicContact CE2-CD1 3.57Å; F184-Y226 AromaticContact CE2-CE1 3.6Å; F184-Y226 HydrophobicContact CE2-CE1 3.6Å; F184-Y226 AromaticContact CZ-CD1 3.85Å; F184-Y226 HydrophobicContact CZ-CD1 3.85Å; F184-Y226 HydrophobicContact CZ-CE1 4.26Å; F184-I227 HydrophobicContact CD1-CD1 4.2Å; F184-I227 HydrophobicContact CD1-CG1 4.44Å; F184-I227 HydrophobicContact CD2-CG1 4.46Å; F184-I227 HydrophobicContact CE1-CD1 3.65Å; F184-I227 HydrophobicContact CE1-CG1 3.77Å; F184-I227 HydrophobicContact CE2-CD1 4.5Å; F184-I227 HydrophobicContact CE2-CG1 3.75Å; F184-I227 HydrophobicContact CZ-CD1 3.81Å; F184-I227 HydrophobicContact CZ-CG1 3.36Å
185	D	92.1	Very high	82.6	Confident	32 Å²	32	45.9 Å²	45.9	17%	0.171	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	125	158.1	-161.4	7.7	0	0	0	108.3	R187 V206 K207 H209 W269	D185-R187 IonicContact OD1-CZ 2.77Å; D185-R187 IonicContact OD1-NH1 2.97Å; D185-R187 PolarHBondContact OD1-NH1 3.34Å; D185-R187 IonicContact OD1-NH2 3.01Å; D185-R187 PolarHBondContact OD1-NH2 3.38Å; D185-R187 IonicContact OD2-CZ 2.71Å; D185-R187 IonicContact OD2-NH2 3.79Å; D185-R187 PolarHBondContact OD2-NH2 3.38Å; D185-V206 CarbonylContact O-C 3.6Å; D185-V206 WeakPolarHBondContact O-CA 3.44Å; D185-K207 PolarHBondContact N-O 3.42Å; D185-K207 PolarHBondContact O-N 2.78Å; D185-H209 PolarHBondContact N-CE1 2.84Å; D185-H209 PolarHBondContact N-NE2 2.9Å; D185-W269 HydrophobicContact CB-CH2 3.9Å; D185-W269 HydrophobicContact CB-CZ2 4.48Å; D185-W269 HydrophobicContact CB-CZ3 4.5Å; D185-W269 WeakPolarHBondContact O-CZ3 3.4Å; D185-W269 WeakPolarHBondContact OD2-CZ2 3.41Å
186	N	93.5	Very high	82	Confident	30 Å²	30	47.9 Å²	47.9	16%	0.16	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	147.8	-177.9	68.7	90.3	0	0	0	112.6	F184 W205	F184-N186 PolarHBondContact O-N 2.88Å; F184-N186 PolarHBondContact O-ND2 3.45Å; N186-W205 CarbonylContact C-O 3.54Å; N186-W205 WeakPolarHBondContact CA-O 3.48Å
187	R	94	Very high	81.8	Confident	11 Å²	11	46.8 Å²	46.8	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	111.8	-179.6	-55.8	-71.2	176.7	-91.4	-14.8	109.7	P146 L149 P150 D185 V189 F204 W205 W269	P146-R187 HydrophobicContact CB-CG 4.32Å; L149-R187 HydrophobicContact CB-CB 3.84Å; L149-R187 HydrophobicContact CB-CG 4.24Å; L149-R187 HydrophobicContact CD1-CB 3.86Å; P150-R187 WeakPolarHBondContact O-CD 3.13Å; D185-R187 IonicContact OD1-CZ 2.77Å; D185-R187 IonicContact OD1-NH1 2.97Å; D185-R187 PolarHBondContact OD1-NH1 3.34Å; D185-R187 IonicContact OD1-NH2 3.01Å; D185-R187 PolarHBondContact OD1-NH2 3.38Å; D185-R187 IonicContact OD2-CZ 2.71Å; D185-R187 IonicContact OD2-NH2 3.79Å; D185-R187 PolarHBondContact OD2-NH2 3.38Å; R187-V189 PolarHBondContact O-N 3.4Å; R187-F204 CarbonylContact O-C 3.27Å; R187-F204 WeakPolarHBondContact O-CA 3.48Å; R187-F204 VanDerWaalsContact O-CB 3.32Å; R187-F204 WeakPolarHBondContact O-CB 3.28Å; R187-W205 HydrophobicContact CB-CB 4.23Å; R187-W205 PolarHBondContact N-O 2.98Å; R187-W205 PolarHBondContact O-N 3Å; R187-W269 HydrophobicContact CG-CH2 3.85Å; R187-W269 HydrophobicContact CG-CZ3 4.3Å
188	E	93.3	Very high	81.6	Confident	11 Å²	11	51.7 Å²	51.7	5%	0.051	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.9	171.3	-167.9	77.1	-167.3	0	0	109.2	F192 R238	E188-F192 HydrophobicContact CG-CE2 4.29Å; E188-R238 IonicContact OE1-CZ 3.16Å; E188-R238 IonicContact OE1-NH2 3.34Å; E188-R238 PolarHBondContact OE1-NH2 2.89Å
189	V	93.6	Very high	81.8	Confident	16 Å²	16	54.8 Å²	54.8	10%	0.097	28%	0.278	C	S	.	.			trans	-82.3	-46.7	-179.9	163.5	0	0	0	0	111.1	C143 L149 R187 V203 L271	C143-V189 HydrophobicContact CB-CB 4.49Å; C143-V189 HydrophobicContact CB-CG1 3.51Å; C143-V189 HydrophobicContact CB-CG2 4.14Å; L149-V189 HydrophobicContact CD1-CG2 3.93Å; R187-V189 PolarHBondContact O-N 3.4Å; V189-V203 HydrophobicContact CB-CB 4.06Å; V189-V203 HydrophobicContact CB-CG1 3.87Å; V189-V203 WeakPolarHBondContact CB-O 3.24Å; V189-V203 HydrophobicContact CG1-CB 4.48Å; V189-V203 HydrophobicContact CG1-CG1 4.16Å; V189-V203 HydrophobicContact CG2-CG1 3.93Å; V189-V203 PolarHBondContact N-O 2.95Å; V189-L271 HydrophobicContact CG2-CD1 3.91Å
190	D	87.7	Confident	82.3	Confident	29 Å²	29	56.9 Å²	56.9	16%	0.155	29%	0.291	C	S	.	.	S	Bend	trans	-73.8	130.4	-178.7	-71.8	-33.5	0	0	0	109.3	F192 R201	D190-F192 HydrophobicContact CB-CD2 4.38Å; D190-F192 HydrophobicContact CB-CE1 4.12Å; D190-F192 HydrophobicContact CB-CE2 3.36Å; D190-F192 HydrophobicContact CB-CZ 3.17Å; D190-F192 WeakPolarHBondContact O-CD2 3.15Å; D190-F192 WeakPolarHBondContact O-CE2 3.43Å; D190-R201 IonicContact OD1-CZ 2.81Å; D190-R201 IonicContact OD1-NE 3.81Å; D190-R201 IonicContact OD1-NH2 2.68Å; D190-R201 PolarHBondContact OD1-NH2 2.91Å; D190-R201 IonicContact OD2-CZ 3.94Å; D190-R201 IonicContact OD2-NE 3.62Å; D190-R201 PolarHBondContact OD2-NE 3.07Å; D190-R201 IonicContact OD2-NH2 3.84Å; D190-R201 PolarHBondContact OD2-NH2 2.92Å
191	K	77.7	Confident	82.8	Confident	137 Å²	137	61.2 Å²	61.2	60%	0.596	31%	0.307	S	S	*	.			trans	-94.5	130.9	174	-65.2	-175.9	-179	-179.6	0	109.4	Y193	K191-Y193 HydrophobicContact CB-CE2 4.13Å
192	F	73.3	Confident	83.7	Confident	18 Å²	18	59.7 Å²	59.7	8%	0.079	30%	0.296	C	S	.	.			trans	-119.5	123.8	-177.9	-59	-79.7	0	0	0	110.7	W155 S158 E188 D190 D196 L197 L199	W155-F192 HydrophobicContact CB-CB 4.39Å; W155-F192 HydrophobicContact CB-CD2 3.45Å; W155-F192 VanDerWaalsContact CB-CD2 3.45Å; W155-F192 HydrophobicContact CB-CE2 3.9Å; W155-F192 HydrophobicContact CB-CG 3.96Å; S158-F192 PolarHBondContact OG-O 3.34Å; E188-F192 HydrophobicContact CG-CE2 4.29Å; D190-F192 HydrophobicContact CB-CD2 4.38Å; D190-F192 HydrophobicContact CB-CE1 4.12Å; D190-F192 HydrophobicContact CB-CE2 3.36Å; D190-F192 HydrophobicContact CB-CZ 3.17Å; D190-F192 WeakPolarHBondContact O-CD2 3.15Å; D190-F192 WeakPolarHBondContact O-CE2 3.43Å; F192-D196 WeakPolarHBondContact CD1-O 3.48Å; F192-L197 HydrophobicContact CB-CD2 3.9Å; F192-L197 HydrophobicContact CD1-CD2 4.11Å; F192-L197 HydrophobicContact CG-CD2 3.99Å; F192-L199 HydrophobicContact CE1-CD1 4.42Å
193	Y	64.7	Low	84.6	Confident	179 Å²	179	52.1 Å²	52.1	70%	0.702	26%	0.262	S	S	*	.			trans	-117.2	129.3	176.7	-57.3	-77	0	0	0	110	K191	K191-Y193 HydrophobicContact CB-CE2 4.13Å
194	G	63.5	Low	85.3	Confident	49 Å²	49	51.5 Å²	51.5	51%	0.505	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	-137.2	178.5	0	0	0	0	0	113	D196	G194-D196 VanDerWaalsContact C-N 3.29Å; G194-D196 PolarHBondContact O-N 2.97Å
195	D	62.3	Low	85.6	Confident	118 Å²	118	51.4 Å²	51.4	63%	0.631	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	5.8	-171.7	-55.4	-16.4	0	0	0	113.6	L197	D195-L197 PolarHBondContact O-N 2.63Å
196	D	75.2	Confident	85.8	Confident	101 Å²	101	49.9 Å²	49.9	54%	0.54	25%	0.249	S	C	.	.			trans	-78.6	58.3	178.7	-168.3	16.1	0	0	0	111.9	F192 G194 Q198	F192-D196 WeakPolarHBondContact CD1-O 3.48Å; G194-D196 VanDerWaalsContact C-N 3.29Å; G194-D196 PolarHBondContact O-N 2.97Å; D196-Q198 VanDerWaalsContact C-N 3.28Å
197	L	83.5	Confident	85.8	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.01	25%	0.254	C	S	.	.			trans	-96.3	22.3	174.3	-67.4	176.3	0	0	0	111.5	W155 F192 D195 L199 R238 P239 V241	W155-L197 HydrophobicContact CB-CD2 3.73Å; W155-L197 HydrophobicContact CE3-CD2 4.26Å; F192-L197 HydrophobicContact CB-CD2 3.9Å; F192-L197 HydrophobicContact CD1-CD2 4.11Å; F192-L197 HydrophobicContact CG-CD2 3.99Å; D195-L197 PolarHBondContact O-N 2.63Å; L197-L199 VanDerWaalsContact C-N 3.32Å; L197-L199 PolarHBondContact O-N 3.43Å; L197-R238 HydrophobicContact CB-CG 4.12Å; L197-R238 HydrophobicContact CD2-CG 4.3Å; L197-R238 CarbonylContact O-C 3.42Å; L197-R238 VanDerWaalsContact O-C 3.23Å; L197-R238 WeakPolarHBondContact O-CG 3.3Å; L197-P239 VanDerWaalsContact O-CA 3.24Å; L197-P239 WeakPolarHBondContact O-CA 3.4Å; L197-V241 HydrophobicContact CB-CG2 4.27Å; L197-V241 HydrophobicContact CD1-CB 4.32Å; L197-V241 HydrophobicContact CD1-CG1 3.87Å; L197-V241 HydrophobicContact CD1-CG2 3.72Å
198	Q	84.1	Confident	85.7	Confident	117 Å²	117	51 Å²	51	55%	0.547	25%	0.254	S	S	.	.			trans	-76.4	-15.1	-166.4	-59.1	-57.3	-40.8	0	0	114.3	D196 P200 P239	D196-Q198 VanDerWaalsContact C-N 3.28Å; Q198-P200 VanDerWaalsContact O-CD 3.26Å; Q198-P200 WeakPolarHBondContact O-CD 3.41Å; Q198-P239 WeakPolarHBondContact O-CG 3.42Å
199	L	88.8	Confident	85.5	Confident	75 Å²	75	55.3 Å²	55.3	39%	0.393	27%	0.274	S	S	.	.			trans	-79	115.6	-178	-67.7	177.6	0	0	0	111.3	F192 L197 R201 R238	F192-L199 HydrophobicContact CE1-CD1 4.42Å; L197-L199 VanDerWaalsContact C-N 3.32Å; L197-L199 PolarHBondContact O-N 3.43Å; L199-R201 HydrophobicContact CB-CG 4.23Å; L199-R201 PolarHBondContact O-N 3.13Å; L199-R238 WeakPolarHBondContact O-CD 3.46Å
200	P	94.3	Very high	85.3	Confident	45 Å²	45	57.4 Å²	57.4	29%	0.292	28%	0.283	S	S	.	.			trans	-79	48.7	179.7	35.2	-37.7	0	0	0	112	Q198 A235 P239 I275 S276	Q198-P200 VanDerWaalsContact O-CD 3.26Å; Q198-P200 WeakPolarHBondContact O-CD 3.41Å; P200-A235 CarbonylContact C-O 3.47Å; P200-A235 VanDerWaalsContact C-O 3.27Å; P200-A235 WeakPolarHBondContact CA-O 3.27Å; P200-P239 HydrophobicContact CB-CG 3.78Å; P200-I275 CarbonylContact O-C 3.5Å; P200-I275 WeakPolarHBondContact O-CA 3.35Å; P200-S276 PolarHBondContact O-N 2.8Å
201	R	94.6	Very high	85.4	Confident	96 Å²	96	61.4 Å²	61.4	36%	0.362	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	168.6	-176.7	78.9	-178.8	-171.2	-176.4	0.4	110.6	D190 L199 R238 T274 I275	D190-R201 IonicContact OD1-CZ 2.81Å; D190-R201 IonicContact OD1-NE 3.81Å; D190-R201 IonicContact OD1-NH2 2.68Å; D190-R201 PolarHBondContact OD1-NH2 2.91Å; D190-R201 IonicContact OD2-CZ 3.94Å; D190-R201 IonicContact OD2-NE 3.62Å; D190-R201 PolarHBondContact OD2-NE 3.07Å; D190-R201 IonicContact OD2-NH2 3.84Å; D190-R201 PolarHBondContact OD2-NH2 2.92Å; L199-R201 HydrophobicContact CB-CG 4.23Å; L199-R201 PolarHBondContact O-N 3.13Å; R201-R238 PolarHBondContact O-NE 2.81Å; R201-R238 PolarHBondContact O-NH1 3.44Å; R201-R238 PolarHBondContact O-NH2 2.95Å; R201-T274 CarbonylContact C-O 3.6Å; R201-T274 VanDerWaalsContact C-O 3.31Å; R201-T274 WeakPolarHBondContact CA-O 3.46Å; R201-T274 WeakPolarHBondContact CB-O 3.5Å; R201-I275 HydrophobicContact CB-CB 4.2Å; R201-I275 HydrophobicContact CB-CG1 4.26Å
202	N	93.8	Very high	86.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147	153.6	-48.6	-87.1	0	0	0	107.6	W155 F204 L231 A235 R238 E273 T274	W155-N202 PolarHBondContact NE1-OD1 3.05Å; N202-F204 HydrophobicContact CB-CD1 4.08Å; N202-F204 HydrophobicContact CB-CE1 4.32Å; N202-L231 PolarHBondContact ND2-O 2.9Å; N202-A235 VanDerWaalsContact ND2-CA 3.28Å; N202-A235 WeakPolarHBondContact ND2-CA 3.14Å; N202-A235 WeakPolarHBondContact ND2-CB 3.33Å; N202-A235 PolarHBondContact ND2-N 2.86Å; N202-R238 PolarHBondContact OD1-NH2 2.9Å; N202-E273 CarbonylContact O-C 3.6Å; N202-E273 VanDerWaalsContact O-CA 3.28Å; N202-E273 WeakPolarHBondContact O-CA 3.32Å; N202-T274 WeakPolarHBondContact CB-OG1 3.49Å; N202-T274 PolarHBondContact N-O 2.86Å; N202-T274 PolarHBondContact N-OG1 2.83Å; N202-T274 PolarHBondContact ND2-OG1 3.22Å; N202-T274 PolarHBondContact O-N 3.23Å
203	V	95.2	Very high	86.9	Confident	11 Å²	11	59 Å²	59	7%	0.067	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	117.4	171.6	-174.7	0	0	0	0	106.7	V189 L271 Y272 E273	V189-V203 HydrophobicContact CB-CB 4.06Å; V189-V203 HydrophobicContact CB-CG1 3.87Å; V189-V203 WeakPolarHBondContact CB-O 3.24Å; V189-V203 HydrophobicContact CG1-CB 4.48Å; V189-V203 HydrophobicContact CG1-CG1 4.16Å; V189-V203 HydrophobicContact CG2-CG1 3.93Å; V189-V203 PolarHBondContact N-O 2.95Å; V203-L271 HydrophobicContact CG1-CD1 3.8Å; V203-L271 HydrophobicContact CG1-CG 4.3Å; V203-Y272 WeakPolarHBondContact CA-O 3.18Å; V203-E273 HydrophobicContact CG2-CB 4.12Å
204	F	95.3	Very high	88.1	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	144.8	-177.7	61.2	-87.9	0	0	0	112.3	L180 R187 N202 V206 L231 Y272	L180-F204 HydrophobicContact CD1-CD2 4.16Å; L180-F204 HydrophobicContact CD1-CE1 4.34Å; L180-F204 HydrophobicContact CD1-CE2 3.56Å; L180-F204 HydrophobicContact CD1-CZ 3.61Å; L180-F204 HydrophobicContact CD2-CE2 3.68Å; L180-F204 HydrophobicContact CD2-CZ 4.14Å; L180-F204 HydrophobicContact CG-CE2 4.27Å; L180-F204 HydrophobicContact CG-CZ 4.42Å; R187-F204 CarbonylContact O-C 3.27Å; R187-F204 WeakPolarHBondContact O-CA 3.48Å; R187-F204 VanDerWaalsContact O-CB 3.32Å; R187-F204 WeakPolarHBondContact O-CB 3.28Å; N202-F204 HydrophobicContact CB-CD1 4.08Å; N202-F204 HydrophobicContact CB-CE1 4.32Å; F204-V206 HydrophobicContact CD2-CB 4.05Å; F204-V206 HydrophobicContact CE2-CB 3.99Å; F204-V206 HydrophobicContact CE2-CG1 4.36Å; F204-V206 HydrophobicContact CE2-CG2 4.49Å; F204-L231 HydrophobicContact CD1-CD1 4.02Å; F204-L231 HydrophobicContact CE1-CB 4.15Å; F204-L231 HydrophobicContact CE1-CD1 3.67Å; F204-L231 HydrophobicContact CE1-CG 4.3Å; F204-L231 HydrophobicContact CZ-CD1 4.06Å; F204-L231 HydrophobicContact CZ-CG 4.44Å; F204-Y272 AromaticContact CE1-CD1 3.77Å; F204-Y272 HydrophobicContact CE1-CD1 3.77Å; F204-Y272 HydrophobicContact CE1-CG 4.42Å; F204-Y272 HydrophobicContact CE2-CD1 4.1Å; F204-Y272 AromaticContact CZ-CD1 3.38Å; F204-Y272 HydrophobicContact CZ-CD1 3.38Å; F204-Y272 HydrophobicContact CZ-CE1 4.26Å; F204-Y272 HydrophobicContact CZ-CG 4.18Å; F204-Y272 PolarHBondContact N-O 2.86Å; F204-Y272 PolarHBondContact O-N 2.68Å
205	W	97	Very high	89.3	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	141.6	165.3	-68.8	98.5	0	0	0	109.7	I140 P144 P146 N186 R187 W269 M270 L271 R293	I140-W205 HydrophobicContact CD1-CH2 4.32Å; P144-W205 PolarHBondContact O-NE1 2.92Å; P146-W205 HydrophobicContact CB-CB 3.82Å; P146-W205 HydrophobicContact CB-CD2 4.19Å; P146-W205 HydrophobicContact CB-CG 3.72Å; P146-W205 HydrophobicContact CG-CB 4.49Å; P146-W205 HydrophobicContact CG-CD2 4.02Å; P146-W205 HydrophobicContact CG-CE3 4.35Å; P146-W205 HydrophobicContact CG-CG 4.09Å; N186-W205 CarbonylContact C-O 3.54Å; N186-W205 WeakPolarHBondContact CA-O 3.48Å; R187-W205 HydrophobicContact CB-CB 4.23Å; R187-W205 PolarHBondContact N-O 2.98Å; R187-W205 PolarHBondContact O-N 3Å; W205-W269 HydrophobicContact CB-CD2 4.45Å; W205-W269 HydrophobicContact CB-CE3 3.6Å; W205-W269 HydrophobicContact CB-CZ3 3.78Å; W205-W269 HydrophobicContact CE3-CB 3.86Å; W205-W269 HydrophobicContact CZ3-CB 4.21Å; W205-M270 CarbonylContact C-O 3.52Å; W205-M270 VanDerWaalsContact CA-O 3.29Å; W205-M270 WeakPolarHBondContact CA-O 3.15Å; W205-M270 VanDerWaalsContact CE3-C 3.42Å; W205-L271 HydrophobicContact CD2-CB 4.2Å; W205-L271 HydrophobicContact CD2-CD1 3.9Å; W205-L271 HydrophobicContact CE3-CB 3.91Å; W205-L271 HydrophobicContact CE3-CD1 4.45Å; W205-L271 HydrophobicContact CG-CD1 4.12Å; W205-L271 HydrophobicContact CH2-CB 3.96Å; W205-L271 HydrophobicContact CZ2-CB 4.25Å; W205-L271 HydrophobicContact CZ2-CD1 4.18Å; W205-L271 HydrophobicContact CZ3-CB 3.78Å; W205-R293 HydrophobicContact CZ3-CB 4.45Å
206	V	95.9	Very high	90.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	141.3	178.3	63.6	0	0	0	0	110.7	L180 F184 D185 F204 I227 M270 L290	L180-V206 HydrophobicContact CD2-CG2 3.97Å; F184-V206 HydrophobicContact CB-CG2 3.59Å; F184-V206 HydrophobicContact CD1-CG2 3.89Å; F184-V206 HydrophobicContact CD2-CG2 4.29Å; F184-V206 HydrophobicContact CG-CG2 3.67Å; D185-V206 CarbonylContact O-C 3.6Å; D185-V206 WeakPolarHBondContact O-CA 3.44Å; F204-V206 HydrophobicContact CD2-CB 4.05Å; F204-V206 HydrophobicContact CE2-CB 3.99Å; F204-V206 HydrophobicContact CE2-CG1 4.36Å; F204-V206 HydrophobicContact CE2-CG2 4.49Å; V206-I227 HydrophobicContact CG1-CD1 4.08Å; V206-I227 HydrophobicContact CG1-CG2 4.08Å; V206-I227 HydrophobicContact CG2-CD1 4.03Å; V206-I227 HydrophobicContact CG2-CG1 4.42Å; V206-M270 HydrophobicContact CG1-CB 4.25Å; V206-M270 PolarHBondContact N-O 2.92Å; V206-M270 PolarHBondContact O-N 2.93Å; V206-L290 HydrophobicContact CG1-CD1 4.23Å
207	K	94.9	Very high	91.3	Very high	59 Å²	59	48.2 Å²	48.2	26%	0.257	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	136.7	177.9	-173.3	176.1	67	169.8	0	110.8	F184 D185 S267 W269	F184-K207 WeakPolarHBondContact CA-O 3.4Å; F184-K207 WeakPolarHBondContact CB-O 3.35Å; D185-K207 PolarHBondContact N-O 3.42Å; D185-K207 PolarHBondContact O-N 2.78Å; K207-S267 WeakPolarHBondContact CD-O 3.14Å; K207-S267 WeakPolarHBondContact CG-O 3.29Å; K207-W269 HydrophobicContact CB-CD2 3.78Å; K207-W269 HydrophobicContact CB-CE3 3.57Å; K207-W269 HydrophobicContact CB-CG 4.34Å; K207-W269 HydrophobicContact CB-CH2 4.4Å; K207-W269 HydrophobicContact CB-CZ3 3.91Å; K207-W269 HydrophobicContact CD-CD2 4.06Å; K207-W269 HydrophobicContact CD-CG 4.05Å
208	A	91.8	Very high	91.7	Very high	6 Å²	6	48.6 Å²	48.6	5%	0.05	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	140	173.3	0	0	0	0	0	110.9	F184 I266	F184-A208 HydrophobicContact CD1-CB 4.42Å; F184-A208 HydrophobicContact CE1-CB 4.46Å; A208-I266 HydrophobicContact CB-CG2 4.37Å; A208-I266 WeakPolarHBondContact CB-O 3.45Å; A208-I266 PolarHBondContact N-O 2.82Å; A208-I266 VanDerWaalsContact N-O 3.07Å
209	H	89	Confident	92.1	Very high	102 Å²	102	43.1 Å²	43.1	47%	0.472	23%	0.229	S	C	.	.	S	Bend	trans	-67.1	-43.9	175.4	-75.3	-52.9	0	0	0	111.3	T183 D185	T183-H209 PolarHBondContact O-CD2 3.35Å; T183-H209 VanDerWaalsContact O-CD2 3.29Å; D185-H209 PolarHBondContact N-CE1 2.84Å; D185-H209 PolarHBondContact N-NE2 2.9Å
210	E	88.1	Confident	92.3	Very high	59 Å²	59	39.8 Å²	39.8	28%	0.276	21%	0.211	S	C	.	.	S	Bend	trans	-93	142.9	-179.4	-56.1	82.3	-175.3	0	0	112	T19	T19-E210 HydrophobicContact CG2-CG 3.69Å
211	P	90.6	Very high	92.4	Very high	114 Å²	114	37.7 Å²	37.7	74%	0.74	20%	0.198	S	C	*	.			trans	-64.8	137.9	171.3	28.3	-33.8	0	0	0	110.5
212	V	92	Very high	92.4	Very high	12 Å²	12	33.1 Å²	33.1	7%	0.073	18%	0.181	C	C	.	.			trans	-111.2	134.1	172.6	-176	0	0	0	0	109.3	P21 Q214 L219 H220 I223 I266 S267	P21-V212 HydrophobicContact CG-CG2 3.99Å; V212-Q214 PolarHBondContact O-N 2.87Å; V212-L219 HydrophobicContact CG1-CB 4.32Å; V212-L219 HydrophobicContact CG1-CD2 3.51Å; V212-L219 HydrophobicContact CG1-CG 3.92Å; V212-H220 WeakPolarHBondContact CG1-NE2 3.43Å; V212-I223 HydrophobicContact CG2-CD1 3.73Å; V212-I266 HydrophobicContact CB-CG2 3.88Å; V212-I266 HydrophobicContact CG2-CG2 3.63Å; V212-S267 PolarHBondContact N-OG 2.94Å
213	D	91.1	Very high	92.5	Very high	91 Å²	91	33.1 Å²	33.1	49%	0.487	18%	0.181	S	C	.	.			trans	-64.6	124.2	178.6	-175.6	-2	0	0	0	111	S215 E216 H220	D213-S215 PolarHBondContact O-N 3.38Å; D213-S215 VanDerWaalsContact O-N 3.1Å; D213-S215 WeakPolarHBondContact OD1-CB 3.28Å; D213-S215 PolarHBondContact OD1-N 2.77Å; D213-S215 PolarHBondContact OD1-OG 2.77Å; D213-S215 PolarHBondContact OD2-OG 2.92Å; D213-E216 HydrophobicContact CB-CG 4.35Å; D213-E216 WeakPolarHBondContact O-CB 3.36Å; D213-E216 PolarHBondContact O-N 2.79Å; D213-H220 PolarHBondContact O-NE2 2.88Å
214	Q	90.1	Very high	92.6	Very high	80 Å²	80	32.6 Å²	32.6	37%	0.374	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.8	175.8	-68.8	-64.7	-46.2	0	0	113.3	V212 E216 H220 R263 N265	V212-Q214 PolarHBondContact O-N 2.87Å; Q214-E216 PolarHBondContact O-N 2.83Å; Q214-H220 PolarHBondContact NE2-CE1 2.87Å; Q214-R263 PolarHBondContact O-NH1 2.94Å; Q214-N265 PolarHBondContact NE2-OD1 3.02Å
215	S	88.2	Confident	92.7	Very high	78 Å²	78	32.6 Å²	32.6	55%	0.545	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.2	175.4	84.9	0	0	0	0	113.3	D213 P217	D213-S215 PolarHBondContact O-N 3.38Å; D213-S215 VanDerWaalsContact O-N 3.1Å; D213-S215 WeakPolarHBondContact OD1-CB 3.28Å; D213-S215 PolarHBondContact OD1-N 2.77Å; D213-S215 PolarHBondContact OD1-OG 2.77Å; D213-S215 PolarHBondContact OD2-OG 2.92Å; S215-P217 WeakPolarHBondContact O-CD 3.17Å
216	E	89.5	Confident	92.6	Very high	49 Å²	49	32.5 Å²	32.5	23%	0.229	18%	0.177	C	C	.	.			trans	-108.2	65.9	-175.8	-61.7	-166.5	-104	0	0	113.7	K25 D213 Q214 A218 L219 H220	K25-E216 WeakPolarHBondContact CE-OE2 3.37Å; K25-E216 IonicContact NZ-OE1 3.37Å; K25-E216 PolarHBondContact NZ-OE1 2.89Å; K25-E216 IonicContact NZ-OE2 3.05Å; K25-E216 PolarHBondContact NZ-OE2 2.73Å; D213-E216 HydrophobicContact CB-CG 4.35Å; D213-E216 WeakPolarHBondContact O-CB 3.36Å; D213-E216 PolarHBondContact O-N 2.79Å; Q214-E216 PolarHBondContact O-N 2.83Å; E216-A218 PolarHBondContact O-N 2.65Å; E216-A218 VanDerWaalsContact O-N 3.08Å; E216-L219 HydrophobicContact CB-CB 4.1Å; E216-L219 PolarHBondContact O-N 2.84Å; E216-H220 PolarHBondContact O-CD2 3.22Å; E216-H220 PolarHBondContact O-N 2.88Å
217	P	90.1	Very high	92.6	Very high	14 Å²	14	32.5 Å²	32.5	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-58.1	-32.9	-175.4	25.2	-34.8	0	0	0	112.9	V73 S215 L219 H220 H221	V73-P217 HydrophobicContact CG1-CB 3.9Å; V73-P217 HydrophobicContact CG1-CG 4.2Å; S215-P217 WeakPolarHBondContact O-CD 3.17Å; P217-L219 VanDerWaalsContact C-N 3.31Å; P217-L219 PolarHBondContact O-N 2.98Å; P217-H220 WeakPolarHBondContact O-CB 3.35Å; P217-H220 PolarHBondContact O-N 3.16Å; P217-H221 PolarHBondContact O-N 2.79Å; P217-H221 PolarHBondContact O-ND1 3.5Å
218	A	90.5	Very high	92.8	Very high	11 Å²	11	29.7 Å²	29.7	9%	0.091	17%	0.165	C	C	.	.	H	α-helix	trans	-58.8	-40.2	175.9	0	0	0	0	0	112.8	C63 M67 E216 H221 A222	C63-A218 HydrophobicContact CB-CB 3.52Å; M67-A218 HydrophobicContact CE-CB 3.79Å; E216-A218 PolarHBondContact O-N 2.65Å; E216-A218 VanDerWaalsContact O-N 3.08Å; A218-H221 PolarHBondContact O-N 2.91Å; A218-A222 WeakPolarHBondContact O-CB 3.45Å; A218-A222 PolarHBondContact O-N 3.4Å
219	L	92.7	Very high	93	Very high	2 Å²	2	30 Å²	30	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-70.4	-39.8	178.6	-176.9	59.6	0	0	0	111.1	P21 L24 K25 Y60 V212 E216 P217 H221 A222 I223	P21-L219 HydrophobicContact CB-CD2 3.85Å; P21-L219 HydrophobicContact CG-CD2 4.31Å; L24-L219 HydrophobicContact CB-CD1 4.17Å; L24-L219 HydrophobicContact CD1-CD1 4.41Å; K25-L219 HydrophobicContact CD-CD2 4.48Å; K25-L219 HydrophobicContact CG-CD1 4.39Å; Y60-L219 HydrophobicContact CD2-CD1 4.49Å; V212-L219 HydrophobicContact CG1-CB 4.32Å; V212-L219 HydrophobicContact CG1-CD2 3.51Å; V212-L219 HydrophobicContact CG1-CG 3.92Å; E216-L219 HydrophobicContact CB-CB 4.1Å; E216-L219 PolarHBondContact O-N 2.84Å; P217-L219 VanDerWaalsContact C-N 3.31Å; P217-L219 PolarHBondContact O-N 2.98Å; L219-H221 VanDerWaalsContact C-N 3.33Å; L219-H221 PolarHBondContact O-N 3.36Å; L219-A222 PolarHBondContact O-N 2.64Å; L219-I223 HydrophobicContact CD1-CD1 4.19Å; L219-I223 HydrophobicContact CD1-CG1 4.3Å; L219-I223 HydrophobicContact CG-CD1 3.99Å; L219-I223 WeakPolarHBondContact O-CG1 3.49Å; L219-I223 PolarHBondContact O-N 3.43Å
220	H	94.7	Very high	93.2	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.019	14%	0.144	C	C	.	.	H	α-helix	trans	-57.6	-45.5	173.6	-76.3	-108.8	0	0	0	111.8	V212 D213 Q214 E216 P217 I223 V224 F264 I266	V212-H220 WeakPolarHBondContact CG1-NE2 3.43Å; D213-H220 PolarHBondContact O-NE2 2.88Å; Q214-H220 PolarHBondContact NE2-CE1 2.87Å; E216-H220 PolarHBondContact O-CD2 3.22Å; E216-H220 PolarHBondContact O-N 2.88Å; P217-H220 WeakPolarHBondContact O-CB 3.35Å; P217-H220 PolarHBondContact O-N 3.16Å; H220-I223 PolarHBondContact O-N 3.25Å; H220-V224 PolarHBondContact O-N 2.83Å; H220-F264 HydrophobicContact CB-CD2 4.24Å; H220-F264 HydrophobicContact CB-CE2 3.78Å; H220-F264 HydrophobicContact CB-CZ 4.43Å; H220-F264 PolarHBondContact CE1-O 3.45Å; H220-F264 PolarHBondContact ND1-O 3.07Å; H220-F264 WeakPolarHBondContact O-CE2 3.33Å; H220-I266 PolarHBondContact ND1-N 3.39Å
221	H	95.2	Very high	93.5	Very high	2 Å²	2	23 Å²	23	1%	0.009	13%	0.134	C	C	.	.	H	α-helix	trans	-66.9	-39.8	177	-70	70.2	0	0	0	112.1	I59 P74 P217 A218 L219 I223 V224 S225 F259 K262 F264	I59-H221 HydrophobicContact CG2-CB 4.5Å; P74-H221 HydrophobicContact CB-CB 4.47Å; P74-H221 HydrophobicContact CG-CB 3.88Å; P217-H221 PolarHBondContact O-N 2.79Å; P217-H221 PolarHBondContact O-ND1 3.5Å; A218-H221 PolarHBondContact O-N 2.91Å; L219-H221 VanDerWaalsContact C-N 3.33Å; L219-H221 PolarHBondContact O-N 3.36Å; H221-I223 VanDerWaalsContact C-N 3.32Å; H221-I223 PolarHBondContact O-N 3.38Å; H221-V224 PolarHBondContact O-N 2.91Å; H221-S225 WeakPolarHBondContact O-CB 2.97Å; H221-S225 PolarHBondContact O-N 3.22Å; H221-S225 PolarHBondContact O-OG 2.94Å; H221-F259 HydrophobicContact CB-CE1 4.21Å; H221-F259 HydrophobicContact CB-CZ 4.01Å; H221-F259 AromaticContact CD2-CD1 3.54Å; H221-F259 AromaticContact CD2-CD2 3.98Å; H221-F259 AromaticContact CD2-CE1 3.58Å; H221-F259 AromaticContact CD2-CG 3.73Å; H221-F259 AromaticContact CD2-CZ 3.79Å; H221-K262 PolarHBondContact CE1-O 2.96Å; H221-F264 AromaticContact CD2-CZ 3.95Å; H221-F264 AromaticContact CE1-CE1 3.66Å; H221-F264 AromaticContact CE1-CZ 3.77Å; H221-F264 AromaticContact CG-CZ 3.83Å; H221-F264 AromaticContact ND1-CZ 3.72Å; H221-F264 AromaticContact NE2-CE1 3.68Å; H221-F264 AromaticContact NE2-CZ 3.93Å
222	A	95.5	Very high	93.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.7	-42.2	175.7	0	0	0	0	0	112	L24 G56 I59 A218 L219 S225 Y226	L24-A222 HydrophobicContact CD1-CB 3.98Å; G56-A222 WeakPolarHBondContact CA-O 3.37Å; G56-A222 WeakPolarHBondContact O-CB 3.26Å; I59-A222 HydrophobicContact CB-CB 4.28Å; I59-A222 HydrophobicContact CG2-CB 4.1Å; A218-A222 WeakPolarHBondContact O-CB 3.45Å; A218-A222 PolarHBondContact O-N 3.4Å; L219-A222 PolarHBondContact O-N 2.64Å; A222-S225 PolarHBondContact O-N 3.44Å; A222-Y226 PolarHBondContact O-N 3.48Å
223	I	95.7	Very high	93.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-71	-42.4	178.2	-64	167.5	0	0	0	111.5	L20 L24 F184 V212 L219 H220 H221 S225 Y226 I227 I266	L20-I223 HydrophobicContact CD2-CB 4.33Å; L20-I223 HydrophobicContact CD2-CD1 4.34Å; L20-I223 HydrophobicContact CD2-CG1 3.91Å; L20-I223 HydrophobicContact CD2-CG2 3.61Å; L20-I223 HydrophobicContact CG-CG1 4.31Å; L24-I223 HydrophobicContact CD1-CB 4.35Å; L24-I223 HydrophobicContact CD1-CG1 3.51Å; F184-I223 HydrophobicContact CE1-CG2 3.66Å; F184-I223 HydrophobicContact CZ-CG2 3.84Å; V212-I223 HydrophobicContact CG2-CD1 3.73Å; L219-I223 HydrophobicContact CD1-CD1 4.19Å; L219-I223 HydrophobicContact CD1-CG1 4.3Å; L219-I223 HydrophobicContact CG-CD1 3.99Å; L219-I223 WeakPolarHBondContact O-CG1 3.49Å; L219-I223 PolarHBondContact O-N 3.43Å; H220-I223 PolarHBondContact O-N 3.25Å; H221-I223 VanDerWaalsContact C-N 3.32Å; H221-I223 PolarHBondContact O-N 3.38Å; I223-S225 VanDerWaalsContact C-N 3.27Å; I223-S225 PolarHBondContact O-N 3.08Å; I223-Y226 WeakPolarHBondContact O-CA 3.39Å; I223-Y226 VanDerWaalsContact O-CB 3.28Å; I223-Y226 WeakPolarHBondContact O-CB 3.5Å; I223-Y226 PolarHBondContact O-N 2.8Å; I223-Y226 VanDerWaalsContact O-N 3.08Å; I223-I227 HydrophobicContact CG2-CD1 4.27Å; I223-I227 WeakPolarHBondContact O-CG1 3.2Å; I223-I227 PolarHBondContact O-N 3.39Å; I223-I266 HydrophobicContact CB-CG1 3.94Å; I223-I266 HydrophobicContact CD1-CG2 3.95Å; I223-I266 HydrophobicContact CG2-CD1 4.07Å; I223-I266 HydrophobicContact CG2-CG1 3.35Å
224	V	96.6	Very high	94	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.4	-39	175.2	162.4	0	0	0	0	111.3	H220 H221 Y226 I227 S228 F259 F264 I266 M270 L290 M299	H220-V224 PolarHBondContact O-N 2.83Å; H221-V224 PolarHBondContact O-N 2.91Å; V224-Y226 VanDerWaalsContact C-N 3.34Å; V224-I227 PolarHBondContact O-N 2.99Å; V224-S228 WeakPolarHBondContact O-CB 3.47Å; V224-S228 PolarHBondContact O-N 3.16Å; V224-F259 HydrophobicContact CB-CE1 4.25Å; V224-F259 HydrophobicContact CG1-CE1 3.75Å; V224-F264 HydrophobicContact CB-CE2 4.04Å; V224-F264 HydrophobicContact CB-CZ 4.32Å; V224-F264 HydrophobicContact CG2-CD2 3.92Å; V224-F264 HydrophobicContact CG2-CE2 3.31Å; V224-F264 HydrophobicContact CG2-CZ 4.01Å; V224-I266 HydrophobicContact CG2-CD1 3.63Å; V224-M270 HydrophobicContact CG2-SD 4.28Å; V224-L290 HydrophobicContact CB-CD2 4.29Å; V224-L290 HydrophobicContact CG1-CD2 3.66Å; V224-L290 HydrophobicContact CG2-CD2 3.78Å; V224-M299 HydrophobicContact CG1-CB 4.42Å; V224-M299 HydrophobicContact CG1-CE 3.8Å; V224-M299 HydrophobicContact CG1-CG 3.71Å; V224-M299 HydrophobicContact CG1-SD 3.5Å; V224-M299 WeakPolarHBondContact CG1-SD 3.34Å
225	S	97	Very high	94.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-68.1	-31.3	173.4	-65.2	0	0	0	0	113.5	I59 H221 A222 I223 S228 I257 F259	I59-S225 WeakPolarHBondContact CD1-OG 3.35Å; H221-S225 WeakPolarHBondContact O-CB 2.97Å; H221-S225 PolarHBondContact O-N 3.22Å; H221-S225 PolarHBondContact O-OG 2.94Å; A222-S225 PolarHBondContact O-N 3.44Å; I223-S225 VanDerWaalsContact C-N 3.27Å; I223-S225 PolarHBondContact O-N 3.08Å; S225-S228 PolarHBondContact O-N 3.45Å; S225-S228 PolarHBondContact O-OG 2.87Å; S225-I257 WeakPolarHBondContact OG-CD1 3.31Å; S225-F259 WeakPolarHBondContact OG-CZ 3.48Å
226	Y	96.2	Very high	94.5	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-60	-50.3	169.1	-177.9	-75.3	0	0	0	111	L20 L24 F50 G52 Q53 G179 T183 F184 A222 I223 V224 S228 D229	L20-Y226 HydrophobicContact CD1-CD2 4.1Å; L20-Y226 HydrophobicContact CD1-CE2 4.09Å; L20-Y226 HydrophobicContact CD1-CG 4.44Å; L24-Y226 HydrophobicContact CD2-CD2 4.22Å; F50-Y226 HydrophobicContact CD1-CD2 4.34Å; F50-Y226 HydrophobicContact CD1-CE1 4.08Å; F50-Y226 AromaticContact CD1-CE2 3.72Å; F50-Y226 HydrophobicContact CD1-CE2 3.72Å; F50-Y226 AromaticContact CD1-CZ 3.57Å; F50-Y226 AromaticContact CE1-CD1 4Å; F50-Y226 HydrophobicContact CE1-CD1 4Å; F50-Y226 HydrophobicContact CE1-CD2 4.3Å; F50-Y226 AromaticContact CE1-CE1 3.67Å; F50-Y226 HydrophobicContact CE1-CE1 3.67Å; F50-Y226 HydrophobicContact CE1-CE2 4Å; F50-Y226 HydrophobicContact CE1-CG 4.3Å; F50-Y226 AromaticContact CE1-CZ 3.67Å; G52-Y226 VanDerWaalsContact C-CD2 3.48Å; G52-Y226 WeakPolarHBondContact O-CD2 3.5Å; Q53-Y226 HydrophobicContact CB-CD2 4.28Å; Q53-Y226 HydrophobicContact CB-CE2 3.87Å; G179-Y226 VanDerWaalsContact O-CE1 3.3Å; G179-Y226 WeakPolarHBondContact O-CE1 3.12Å; T183-Y226 HydrophobicContact CG2-CE1 4.08Å; F184-Y226 AromaticContact CE2-CD1 3.57Å; F184-Y226 HydrophobicContact CE2-CD1 3.57Å; F184-Y226 AromaticContact CE2-CE1 3.6Å; F184-Y226 HydrophobicContact CE2-CE1 3.6Å; F184-Y226 AromaticContact CZ-CD1 3.85Å; F184-Y226 HydrophobicContact CZ-CD1 3.85Å; F184-Y226 HydrophobicContact CZ-CE1 4.26Å; A222-Y226 PolarHBondContact O-N 3.48Å; I223-Y226 WeakPolarHBondContact O-CA 3.39Å; I223-Y226 VanDerWaalsContact O-CB 3.28Å; I223-Y226 WeakPolarHBondContact O-CB 3.5Å; I223-Y226 PolarHBondContact O-N 2.8Å; I223-Y226 VanDerWaalsContact O-N 3.08Å; V224-Y226 VanDerWaalsContact C-N 3.34Å; Y226-S228 VanDerWaalsContact C-N 3.26Å; Y226-S228 PolarHBondContact O-N 2.96Å; Y226-D229 PolarHBondContact O-N 2.92Å
227	I	96.1	Very high	94.7	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.9	-36.5	179.1	-66.7	170.3	0	0	0	111.5	F184 V206 I223 V224 D229 S230 I266 Y272	F184-I227 HydrophobicContact CD1-CD1 4.2Å; F184-I227 HydrophobicContact CD1-CG1 4.44Å; F184-I227 HydrophobicContact CD2-CG1 4.46Å; F184-I227 HydrophobicContact CE1-CD1 3.65Å; F184-I227 HydrophobicContact CE1-CG1 3.77Å; F184-I227 HydrophobicContact CE2-CD1 4.5Å; F184-I227 HydrophobicContact CE2-CG1 3.75Å; F184-I227 HydrophobicContact CZ-CD1 3.81Å; F184-I227 HydrophobicContact CZ-CG1 3.36Å; V206-I227 HydrophobicContact CG1-CD1 4.08Å; V206-I227 HydrophobicContact CG1-CG2 4.08Å; V206-I227 HydrophobicContact CG2-CD1 4.03Å; V206-I227 HydrophobicContact CG2-CG1 4.42Å; I223-I227 HydrophobicContact CG2-CD1 4.27Å; I223-I227 WeakPolarHBondContact O-CG1 3.2Å; I223-I227 PolarHBondContact O-N 3.39Å; V224-I227 PolarHBondContact O-N 2.99Å; I227-D229 PolarHBondContact O-N 2.8Å; I227-D229 VanDerWaalsContact O-N 3.13Å; I227-S230 WeakPolarHBondContact O-CB 3.46Å; I227-S230 PolarHBondContact O-N 2.92Å; I227-S230 PolarHBondContact O-OG 3.47Å; I227-I266 HydrophobicContact CD1-CD1 3.7Å; I227-Y272 HydrophobicContact CG2-CD1 3.99Å; I227-Y272 HydrophobicContact CG2-CE1 4.46Å; I227-Y272 HydrophobicContact CG2-CG 4.42Å; I227-Y272 WeakPolarHBondContact O-CE1 3.03Å
228	S	97.3	Very high	94.8	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-60.8	-23.9	-175.7	76	0	0	0	0	114.5	V224 S225 Y226 S230 H255 I257 Y272 M299	V224-S228 WeakPolarHBondContact O-CB 3.47Å; V224-S228 PolarHBondContact O-N 3.16Å; S225-S228 PolarHBondContact O-N 3.45Å; S225-S228 PolarHBondContact O-OG 2.87Å; Y226-S228 VanDerWaalsContact C-N 3.26Å; Y226-S228 PolarHBondContact O-N 2.96Å; S228-S230 VanDerWaalsContact C-N 3.34Å; S228-H255 PolarHBondContact O-CE1 2.97Å; S228-H255 PolarHBondContact O-NE2 2.95Å; S228-H255 PolarHBondContact OG-NE2 2.85Å; S228-I257 WeakPolarHBondContact OG-CD1 3.22Å; S228-Y272 PolarHBondContact O-OH 2.81Å; S228-M299 VanDerWaalsContact CB-CE 3.43Å
229	D	96.4	Very high	94.9	Very high	11 Å²	11	4.2 Å²	4.2	6%	0.059	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	0.4	177.5	-171.2	46.4	0	0	0	111.6	F50 G51 G52 Y226 I227 S252 Q303	F50-D229 HydrophobicContact CE2-CB 4.29Å; F50-D229 WeakPolarHBondContact CE2-OD2 3.4Å; F50-D229 HydrophobicContact CZ-CB 3.89Å; G51-D229 VanDerWaalsContact C-OD2 3.24Å; G51-D229 WeakPolarHBondContact CA-OD2 3.4Å; G51-D229 PolarHBondContact N-OD2 3.17Å; G52-D229 PolarHBondContact N-OD2 2.77Å; Y226-D229 PolarHBondContact O-N 2.92Å; I227-D229 PolarHBondContact O-N 2.8Å; I227-D229 VanDerWaalsContact O-N 3.13Å; D229-S252 PolarHBondContact OD1-OG 3.18Å; D229-Q303 PolarHBondContact OD1-NE2 3.01Å
230	S	93.9	Very high	94.9	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.014	4%	0.04	C	C	.	.	S	Bend	trans	-85.5	136.5	-177.6	-59.3	0	0	0	0	111.6	G179 I227 S228 M232	G179-S230 VanDerWaalsContact CA-OG 3.28Å; G179-S230 WeakPolarHBondContact CA-OG 3.15Å; G179-S230 PolarHBondContact O-OG 2.98Å; I227-S230 WeakPolarHBondContact O-CB 3.46Å; I227-S230 PolarHBondContact O-N 2.92Å; I227-S230 PolarHBondContact O-OG 3.47Å; S228-S230 VanDerWaalsContact C-N 3.34Å; S230-M232 PolarHBondContact O-N 3.5Å
231	L	93.4	Very high	94.7	Very high	12 Å²	12	8.1 Å²	8.1	6%	0.063	4%	0.043	C	C	.	.	S	Bend	trans	57.4	3.3	176.2	-59	-171.4	0	0	0	117	F156 M176 T177 L180 N202 F204 A234 A235	F156-L231 HydrophobicContact CE2-CD2 3.71Å; F156-L231 HydrophobicContact CZ-CD2 3.97Å; M176-L231 WeakPolarHBondContact O-CD2 3.26Å; T177-L231 HydrophobicContact CG2-CD2 4.43Å; L180-L231 HydrophobicContact CD1-CD1 3.3Å; L180-L231 HydrophobicContact CD1-CD2 4.33Å; L180-L231 HydrophobicContact CD1-CG 3.52Å; L180-L231 HydrophobicContact CG-CG 4.45Å; N202-L231 PolarHBondContact ND2-O 2.9Å; F204-L231 HydrophobicContact CD1-CD1 4.02Å; F204-L231 HydrophobicContact CE1-CB 4.15Å; F204-L231 HydrophobicContact CE1-CD1 3.67Å; F204-L231 HydrophobicContact CE1-CG 4.3Å; F204-L231 HydrophobicContact CZ-CD1 4.06Å; F204-L231 HydrophobicContact CZ-CG 4.44Å; L231-A234 HydrophobicContact CB-CB 4.22Å; L231-A234 HydrophobicContact CD2-CB 3.99Å; L231-A234 CarbonylContact O-C 3.46Å; L231-A234 WeakPolarHBondContact O-CA 3.21Å; L231-A234 WeakPolarHBondContact O-CB 3.45Å; L231-A234 PolarHBondContact O-N 3.5Å; L231-A234 VanDerWaalsContact O-N 3.17Å; L231-A235 PolarHBondContact O-N 2.89Å
232	M	95.9	Very high	94.3	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-60.6	-54	178.6	-69.8	-163.4	91.1	0	0	111.9	S230 A234 A235 A236 H255 T274 V286 Q303	S230-M232 PolarHBondContact O-N 3.5Å; M232-A234 PolarHBondContact O-N 3.48Å; M232-A235 WeakPolarHBondContact O-CB 3.11Å; M232-A235 PolarHBondContact O-N 3.45Å; M232-A236 PolarHBondContact O-N 3.05Å; M232-H255 PolarHBondContact SD-CE1 2.89Å; M232-T274 HydrophobicContact CG-CG2 3.89Å; M232-V286 HydrophobicContact CB-CB 4.29Å; M232-V286 HydrophobicContact CB-CG1 4.03Å; M232-V286 HydrophobicContact CE-CB 3.9Å; M232-V286 HydrophobicContact CE-CG1 3.79Å; M232-V286 VanDerWaalsContact CE-O 3.31Å; M232-V286 WeakPolarHBondContact CE-O 3.49Å; M232-V286 HydrophobicContact CG-CG1 4.4Å; M232-V286 WeakPolarHBondContact O-CG2 3.34Å; M232-Q303 HydrophobicContact CB-CB 4.4Å; M232-Q303 HydrophobicContact CE-CB 3.77Å; M232-Q303 HydrophobicContact SD-CB 3.49Å; M232-Q303 WeakPolarHBondContact SD-CB 3Å; M232-Q303 HydrophobicContact SD-CG 4.37Å
233	I	95.3	Very high	94	Very high	19 Å²	19	15.3 Å²	15.3	10%	0.097	9%	0.088	C	C	.	.	H	α-helix	trans	-62.3	-33.1	176.3	-42.9	-177.5	0	0	0	111.3	A235 A236 L237 I250 A305 I307	I233-A235 VanDerWaalsContact C-N 3.29Å; I233-A235 PolarHBondContact O-N 2.95Å; I233-A236 PolarHBondContact O-N 3.36Å; I233-L237 HydrophobicContact CG2-CD1 4.11Å; I233-L237 HydrophobicContact CG2-CG 4.41Å; I233-L237 WeakPolarHBondContact O-CB 3.36Å; I233-L237 PolarHBondContact O-N 2.9Å; I233-I250 HydrophobicContact CB-CD1 3.92Å; I233-I250 HydrophobicContact CB-CG1 4.44Å; I233-I250 HydrophobicContact CD1-CD1 4.02Å; I233-I250 HydrophobicContact CD1-CG1 3.68Å; I233-I250 HydrophobicContact CG2-CD1 3.38Å; I233-I250 HydrophobicContact CG2-CG1 3.8Å; I233-A305 HydrophobicContact CB-CB 4.31Å; I233-A305 HydrophobicContact CD1-CB 3.95Å; I233-A305 HydrophobicContact CG1-CB 3.72Å; I233-A305 HydrophobicContact CG2-CB 3.88Å; I233-I307 HydrophobicContact CG2-CD1 3.98Å; I233-I307 HydrophobicContact CG2-CG1 3.98Å
234	A	93.3	Very high	93.7	Very high	2 Å²	2	15.5 Å²	15.5	2%	0.017	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-35.2	176.4	0	0	0	0	0	112	W155 F156 M176 L231 M232 A236 L237 R238	W155-A234 HydrophobicContact CZ2-CB 4Å; F156-A234 HydrophobicContact CZ-CB 3.89Å; M176-A234 HydrophobicContact SD-CB 4.5Å; L231-A234 HydrophobicContact CB-CB 4.22Å; L231-A234 HydrophobicContact CD2-CB 3.99Å; L231-A234 CarbonylContact O-C 3.46Å; L231-A234 WeakPolarHBondContact O-CA 3.21Å; L231-A234 WeakPolarHBondContact O-CB 3.45Å; L231-A234 PolarHBondContact O-N 3.5Å; L231-A234 VanDerWaalsContact O-N 3.17Å; M232-A234 PolarHBondContact O-N 3.48Å; A234-A236 VanDerWaalsContact C-N 3.35Å; A234-A236 PolarHBondContact O-N 3.16Å; A234-L237 PolarHBondContact O-N 2.86Å; A234-R238 PolarHBondContact O-N 2.81Å
235	A	94.3	Very high	93.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.2	-47.3	172.5	0	0	0	0	0	111.3	P200 N202 L231 M232 I233 L237 V286	P200-A235 CarbonylContact C-O 3.47Å; P200-A235 VanDerWaalsContact C-O 3.27Å; P200-A235 WeakPolarHBondContact CA-O 3.27Å; N202-A235 VanDerWaalsContact ND2-CA 3.28Å; N202-A235 WeakPolarHBondContact ND2-CA 3.14Å; N202-A235 WeakPolarHBondContact ND2-CB 3.33Å; N202-A235 PolarHBondContact ND2-N 2.86Å; L231-A235 PolarHBondContact O-N 2.89Å; M232-A235 WeakPolarHBondContact O-CB 3.11Å; M232-A235 PolarHBondContact O-N 3.45Å; I233-A235 VanDerWaalsContact C-N 3.29Å; I233-A235 PolarHBondContact O-N 2.95Å; A235-L237 VanDerWaalsContact C-N 3.32Å; A235-L237 PolarHBondContact O-N 3.16Å; A235-V286 HydrophobicContact CB-CG1 4.16Å
236	A	95.6	Very high	92.9	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-67.2	-34.2	-179.8	0	0	0	0	0	112.9	M232 I233 A234 H240 S276 A284 V286 I307	M232-A236 PolarHBondContact O-N 3.05Å; I233-A236 PolarHBondContact O-N 3.36Å; A234-A236 VanDerWaalsContact C-N 3.35Å; A234-A236 PolarHBondContact O-N 3.16Å; A236-H240 PolarHBondContact O-CD2 2.94Å; A236-S276 VanDerWaalsContact CA-CB 3.44Å; A236-S276 WeakPolarHBondContact CB-OG 3.49Å; A236-A284 HydrophobicContact CB-CB 3.44Å; A236-A284 VanDerWaalsContact CB-CB 3.44Å; A236-V286 HydrophobicContact CB-CG2 3.98Å; A236-I307 HydrophobicContact CB-CD1 4.45Å
237	L	93.4	Very high	92.6	Very high	6 Å²	6	23 Å²	23	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-84.8	-20.1	-176.1	-86	-178.9	0	0	0	113.7	M176 I233 A234 A235 H240 V241 F244 I250 I307	M176-L237 HydrophobicContact CE-CD1 3.44Å; M176-L237 VanDerWaalsContact CE-CD1 3.44Å; M176-L237 HydrophobicContact SD-CD1 4.36Å; I233-L237 HydrophobicContact CG2-CD1 4.11Å; I233-L237 HydrophobicContact CG2-CG 4.41Å; I233-L237 WeakPolarHBondContact O-CB 3.36Å; I233-L237 PolarHBondContact O-N 2.9Å; A234-L237 PolarHBondContact O-N 2.86Å; A235-L237 VanDerWaalsContact C-N 3.32Å; A235-L237 PolarHBondContact O-N 3.16Å; L237-H240 CarbonylContact O-C 3.51Å; L237-H240 VanDerWaalsContact O-C 3.29Å; L237-H240 VanDerWaalsContact O-CA 3.28Å; L237-H240 WeakPolarHBondContact O-CA 3.28Å; L237-H240 WeakPolarHBondContact O-CB 3.48Å; L237-H240 PolarHBondContact O-N 3.5Å; L237-V241 PolarHBondContact O-N 2.87Å; L237-F244 HydrophobicContact CB-CE1 3.59Å; L237-F244 HydrophobicContact CB-CZ 3.86Å; L237-F244 HydrophobicContact CD1-CE1 4.34Å; L237-F244 HydrophobicContact CD2-CE1 4.2Å; L237-F244 HydrophobicContact CG-CE1 4.27Å; L237-F244 VanDerWaalsContact O-CE1 3.28Å; L237-F244 WeakPolarHBondContact O-CE1 3.15Å; L237-I250 HydrophobicContact CD1-CD1 3.85Å; L237-I307 HydrophobicContact CD1-CD1 4.49Å; L237-I307 HydrophobicContact CD2-CD1 3.94Å; L237-I307 HydrophobicContact CD2-CG2 3.79Å; L237-I307 HydrophobicContact CG-CD1 3.88Å
238	R	93	Very high	92.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-51.5	-46.2	-176.2	-166.9	-168.1	-65.8	176.8	-19.3	114.4	W155 E188 L197 L199 R201 N202 A234 H240 V241	W155-R238 VanDerWaalsContact CD1-NE 3.32Å; W155-R238 HydrophobicContact CD2-CG 3.79Å; W155-R238 HydrophobicContact CE3-CG 3.87Å; W155-R238 HydrophobicContact CG-CG 4.28Å; W155-R238 HydrophobicContact CH2-CB 4.32Å; W155-R238 HydrophobicContact CH2-CG 4.34Å; W155-R238 HydrophobicContact CZ2-CB 4.15Å; W155-R238 HydrophobicContact CZ2-CG 4.21Å; W155-R238 HydrophobicContact CZ3-CG 4.18Å; E188-R238 IonicContact OE1-CZ 3.16Å; E188-R238 IonicContact OE1-NH2 3.34Å; E188-R238 PolarHBondContact OE1-NH2 2.89Å; L197-R238 HydrophobicContact CB-CG 4.12Å; L197-R238 HydrophobicContact CD2-CG 4.3Å; L197-R238 CarbonylContact O-C 3.42Å; L197-R238 VanDerWaalsContact O-C 3.23Å; L197-R238 WeakPolarHBondContact O-CG 3.3Å; L199-R238 WeakPolarHBondContact O-CD 3.46Å; R201-R238 PolarHBondContact O-NE 2.81Å; R201-R238 PolarHBondContact O-NH1 3.44Å; R201-R238 PolarHBondContact O-NH2 2.95Å; N202-R238 PolarHBondContact OD1-NH2 2.9Å; A234-R238 PolarHBondContact O-N 2.81Å; R238-H240 PolarHBondContact O-N 2.94Å; R238-V241 WeakPolarHBondContact O-CG1 3.36Å; R238-V241 PolarHBondContact O-N 3.03Å
239	P	92.5	Very high	92.1	Very high	27 Å²	27	30 Å²	30	18%	0.175	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-68.1	-9.3	177.1	-15.6	30.8	0	0	0	113.8	L197 Q198 P200	L197-P239 VanDerWaalsContact O-CA 3.24Å; L197-P239 WeakPolarHBondContact O-CA 3.4Å; Q198-P239 WeakPolarHBondContact O-CG 3.42Å; P200-P239 HydrophobicContact CB-CG 3.78Å
240	H	92	Very high	91.9	Very high	76 Å²	76	30.3 Å²	30.3	35%	0.352	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-117.2	24.1	-173.7	-55.5	-54.5	0	0	0	112.1	A236 L237 R238 S242 L243	A236-H240 PolarHBondContact O-CD2 2.94Å; L237-H240 CarbonylContact O-C 3.51Å; L237-H240 VanDerWaalsContact O-C 3.29Å; L237-H240 VanDerWaalsContact O-CA 3.28Å; L237-H240 WeakPolarHBondContact O-CA 3.28Å; L237-H240 WeakPolarHBondContact O-CB 3.48Å; L237-H240 PolarHBondContact O-N 3.5Å; R238-H240 PolarHBondContact O-N 2.94Å; H240-S242 PolarHBondContact O-N 3.33Å; H240-S242 VanDerWaalsContact O-N 3.1Å; H240-L243 HydrophobicContact CB-CD1 4.18Å; H240-L243 HydrophobicContact CB-CG 4.46Å; H240-L243 WeakPolarHBondContact O-CA 3.36Å; H240-L243 VanDerWaalsContact O-CB 3.28Å; H240-L243 WeakPolarHBondContact O-CB 3.36Å; H240-L243 PolarHBondContact O-N 2.97Å
241	V	89.6	Confident	91.9	Very high	12 Å²	12	31 Å²	31	7%	0.073	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-51.3	-33.7	178.3	-81.7	0	0	0	0	114.5	W155 Y159 M162 L197 L237 R238 L243 F244	W155-V241 HydrophobicContact CE3-CG1 4.2Å; W155-V241 HydrophobicContact CH2-CG1 4.35Å; W155-V241 HydrophobicContact CZ3-CG1 3.5Å; W155-V241 VanDerWaalsContact CZ3-CG1 3.5Å; Y159-V241 HydrophobicContact CD2-CB 3.7Å; Y159-V241 HydrophobicContact CD2-CG1 3.59Å; Y159-V241 HydrophobicContact CE2-CB 4Å; Y159-V241 HydrophobicContact CE2-CG1 4.16Å; Y159-V241 HydrophobicContact CG-CG1 4.44Å; M162-V241 HydrophobicContact CE-CB 4.3Å; M162-V241 HydrophobicContact CE-CG2 3.94Å; L197-V241 HydrophobicContact CB-CG2 4.27Å; L197-V241 HydrophobicContact CD1-CB 4.32Å; L197-V241 HydrophobicContact CD1-CG1 3.87Å; L197-V241 HydrophobicContact CD1-CG2 3.72Å; L237-V241 PolarHBondContact O-N 2.87Å; R238-V241 WeakPolarHBondContact O-CG1 3.36Å; R238-V241 PolarHBondContact O-N 3.03Å; V241-L243 PolarHBondContact O-N 2.84Å; V241-L243 VanDerWaalsContact O-N 3.14Å; V241-F244 HydrophobicContact CB-CE1 4.43Å; V241-F244 HydrophobicContact CB-CZ 4.42Å; V241-F244 HydrophobicContact CG1-CE1 4.11Å; V241-F244 HydrophobicContact CG1-CE2 3.92Å; V241-F244 HydrophobicContact CG1-CZ 3.68Å; V241-F244 WeakPolarHBondContact O-CB 3.29Å; V241-F244 PolarHBondContact O-N 2.81Å
242	S	87.7	Confident	92	Very high	82 Å²	82	31.3 Å²	31.3	57%	0.573	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-61.1	-22.1	176.4	58.1	0	0	0	0	112.9	H240	H240-S242 PolarHBondContact O-N 3.33Å; H240-S242 VanDerWaalsContact O-N 3.1Å
243	L	89	Confident	92.1	Very high	71 Å²	71	34 Å²	34	37%	0.372	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-92.6	-5.5	-178.7	-58	-174.9	0	0	0	113.8	H240 V241 S245 N246 V247 M309	H240-L243 HydrophobicContact CB-CD1 4.18Å; H240-L243 HydrophobicContact CB-CG 4.46Å; H240-L243 WeakPolarHBondContact O-CA 3.36Å; H240-L243 VanDerWaalsContact O-CB 3.28Å; H240-L243 WeakPolarHBondContact O-CB 3.36Å; H240-L243 PolarHBondContact O-N 2.97Å; V241-L243 PolarHBondContact O-N 2.84Å; V241-L243 VanDerWaalsContact O-N 3.14Å; L243-S245 PolarHBondContact O-N 3.1Å; L243-N246 CarbonylContact O-C 3.55Å; L243-N246 WeakPolarHBondContact O-CA 3.35Å; L243-N246 WeakPolarHBondContact O-CB 3.49Å; L243-N246 PolarHBondContact O-N 2.94Å; L243-V247 PolarHBondContact O-N 3.32Å; L243-M309 HydrophobicContact CB-CE 3.69Å; L243-M309 HydrophobicContact CD1-CE 4.37Å; L243-M309 HydrophobicContact CG-CE 4.45Å; L243-M309 WeakPolarHBondContact O-CE 3.33Å
244	F	89.2	Confident	92.3	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.018	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-56.6	-46	-171.6	-81.5	18	0	0	0	113.4	W155 Y159 I172 L237 V241 N246 V247	W155-F244 AromaticContact CH2-CE2 3.83Å; W155-F244 HydrophobicContact CH2-CE2 3.83Å; W155-F244 AromaticContact CH2-CZ 3.67Å; W155-F244 HydrophobicContact CH2-CZ 3.67Å; W155-F244 AromaticContact CZ3-CE2 3.97Å; W155-F244 HydrophobicContact CZ3-CE2 3.97Å; W155-F244 HydrophobicContact CZ3-CZ 4.01Å; Y159-F244 HydrophobicContact CD2-CD2 4.15Å; Y159-F244 HydrophobicContact CD2-CE2 4.3Å; Y159-F244 HydrophobicContact CE1-CD2 4.21Å; Y159-F244 HydrophobicContact CE2-CB 4.16Å; Y159-F244 AromaticContact CE2-CD2 3.4Å; Y159-F244 HydrophobicContact CE2-CD2 3.4Å; Y159-F244 AromaticContact CE2-CE2 3.99Å; Y159-F244 HydrophobicContact CE2-CE2 3.99Å; Y159-F244 AromaticContact CE2-CG 3.96Å; Y159-F244 HydrophobicContact CE2-CG 3.96Å; Y159-F244 AromaticContact CZ-CD2 3.46Å; Y159-F244 VanDerWaalsContact CZ-CD2 3.46Å; Y159-F244 WeakPolarHBondContact OH-CB 3.4Å; I172-F244 HydrophobicContact CD1-CB 4.22Å; I172-F244 HydrophobicContact CG2-CB 4.44Å; I172-F244 HydrophobicContact CG2-CD2 3.75Å; I172-F244 HydrophobicContact CG2-CE2 4.44Å; I172-F244 HydrophobicContact CG2-CG 4.37Å; L237-F244 HydrophobicContact CB-CE1 3.59Å; L237-F244 HydrophobicContact CB-CZ 3.86Å; L237-F244 HydrophobicContact CD1-CE1 4.34Å; L237-F244 HydrophobicContact CD2-CE1 4.2Å; L237-F244 HydrophobicContact CG-CE1 4.27Å; L237-F244 VanDerWaalsContact O-CE1 3.28Å; L237-F244 WeakPolarHBondContact O-CE1 3.15Å; V241-F244 HydrophobicContact CB-CE1 4.43Å; V241-F244 HydrophobicContact CB-CZ 4.42Å; V241-F244 HydrophobicContact CG1-CE1 4.11Å; V241-F244 HydrophobicContact CG1-CE2 3.92Å; V241-F244 HydrophobicContact CG1-CZ 3.68Å; V241-F244 WeakPolarHBondContact O-CB 3.29Å; V241-F244 PolarHBondContact O-N 2.81Å; F244-N246 PolarHBondContact O-N 3.23Å; F244-N246 VanDerWaalsContact O-N 3.1Å; F244-V247 WeakPolarHBondContact O-CB 3.2Å; F244-V247 PolarHBondContact O-N 2.94Å
245	S	86	Confident	92.5	Very high	48 Å²	48	35.2 Å²	35.2	34%	0.336	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-58.9	-20.6	175.2	57.9	0	0	0	0	114.5	L243	L243-S245 PolarHBondContact O-N 3.1Å
246	N	90.3	Very high	92.7	Very high	76 Å²	76	36.1 Å²	36.1	41%	0.406	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-98.2	2.1	177.5	-66.7	-34.7	0	0	0	112.7	L243 F244 S248 M309 V310	L243-N246 CarbonylContact O-C 3.55Å; L243-N246 WeakPolarHBondContact O-CA 3.35Å; L243-N246 WeakPolarHBondContact O-CB 3.49Å; L243-N246 PolarHBondContact O-N 2.94Å; F244-N246 PolarHBondContact O-N 3.23Å; F244-N246 VanDerWaalsContact O-N 3.1Å; N246-S248 PolarHBondContact O-N 3.01Å; N246-M309 HydrophobicContact CB-CE 3.47Å; N246-M309 VanDerWaalsContact CB-CE 3.47Å; N246-M309 CarbonylContact O-C 3.4Å; N246-M309 VanDerWaalsContact O-CA 3.25Å; N246-M309 WeakPolarHBondContact O-CA 3.42Å; N246-M309 WeakPolarHBondContact O-CE 3.44Å; N246-V310 PolarHBondContact O-N 3.17Å
247	V	90.7	Very high	92.9	Very high	33 Å²	33	36 Å²	36	20%	0.2	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	111.8	176.1	177.2	0	0	0	0	108.8	L243 F244 I250 I307 R308 M309	L243-V247 PolarHBondContact O-N 3.32Å; F244-V247 WeakPolarHBondContact O-CB 3.2Å; F244-V247 PolarHBondContact O-N 2.94Å; V247-I250 HydrophobicContact CG1-CB 4.35Å; V247-I307 HydrophobicContact CG1-CG2 4.48Å; V247-I307 HydrophobicContact CG2-CG2 4.41Å; V247-R308 CarbonylContact C-O 3.5Å; V247-R308 WeakPolarHBondContact CA-O 3.41Å; V247-M309 HydrophobicContact CG2-CE 4.28Å; V247-M309 HydrophobicContact CG2-SD 4.09Å
248	S	90.8	Very high	93.1	Very high	71 Å²	71	39.7 Å²	39.7	50%	0.497	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-28.1	178.9	61.8	0	0	0	0	112.9	N246 R308 M309	N246-S248 PolarHBondContact O-N 3.01Å; S248-R308 PolarHBondContact N-O 2.75Å; S248-R308 WeakPolarHBondContact OG-CB 3.45Å; S248-R308 PolarHBondContact OG-O 2.74Å; S248-M309 PolarHBondContact OG-O 3.33Å
249	Q	91	Very high	93.3	Very high	76 Å²	76	40.5 Å²	40.5	36%	0.355	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	134.6	179.8	-168.3	179.5	1.5	0	0	111.2	L306 I307 R308	Q249-L306 HydrophobicContact CG-CD2 4.2Å; Q249-I307 WeakPolarHBondContact O-CA 3.5Å; Q249-R308 HydrophobicContact CB-CB 3.98Å; Q249-R308 HydrophobicContact CB-CG 4.34Å; Q249-R308 PolarHBondContact N-O 3.32Å; Q249-R308 PolarHBondContact O-N 3.27Å
250	I	92.4	Very high	93.5	Very high	17 Å²	17	43.6 Å²	43.6	9%	0.087	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.3	171.3	-176.7	169.5	0	0	0	110.1	R48 M175 M176 I233 L237 V247 L306	R48-I250 PolarHBondContact NH1-O 3.36Å; M175-I250 HydrophobicContact CE-CG2 3.24Å; M175-I250 HydrophobicContact SD-CG2 3.84Å; M176-I250 HydrophobicContact CE-CD1 3.43Å; M176-I250 VanDerWaalsContact CE-CD1 3.43Å; M176-I250 HydrophobicContact SD-CD1 3.63Å; I233-I250 HydrophobicContact CB-CD1 3.92Å; I233-I250 HydrophobicContact CB-CG1 4.44Å; I233-I250 HydrophobicContact CD1-CD1 4.02Å; I233-I250 HydrophobicContact CD1-CG1 3.68Å; I233-I250 HydrophobicContact CG2-CD1 3.38Å; I233-I250 HydrophobicContact CG2-CG1 3.8Å; L237-I250 HydrophobicContact CD1-CD1 3.85Å; V247-I250 HydrophobicContact CG1-CB 4.35Å; I250-L306 WeakPolarHBondContact CA-O 3.29Å
251	A	94	Very high	93.5	Very high	17 Å²	17	42.6 Å²	42.6	14%	0.14	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	146.8	175.3	0	0	0	0	0	111.2	A305 L306	A251-A305 CarbonylContact O-C 3.52Å; A251-A305 WeakPolarHBondContact O-CA 3.42Å; A251-L306 PolarHBondContact N-O 3.35Å; A251-L306 VanDerWaalsContact N-O 3.11Å; A251-L306 PolarHBondContact O-N 2.7Å
252	S	96.8	Very high	93.5	Very high	18 Å²	18	46 Å²	46	13%	0.126	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.8	160.4	-45.6	0	0	0	0	108.9	F81 D229 Q303	F81-S252 WeakPolarHBondContact CB-O 3.47Å; F81-S252 VanDerWaalsContact CE2-CB 3.5Å; D229-S252 PolarHBondContact OD1-OG 3.18Å; S252-Q303 PolarHBondContact OG-NE2 2.96Å; S252-Q303 PolarHBondContact OG-OE1 3.08Å
253	L	97.8	Very high	93.6	Very high	59 Å²	59	47.8 Å²	47.8	31%	0.309	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-42.9	173.7	-67.1	176.2	0	0	0	110.7	F81 R283 E304 L306	F81-L253 PolarHBondContact N-O 3.4Å; L253-R283 HydrophobicContact CD1-CG 4.48Å; L253-E304 WeakPolarHBondContact CB-O 3.35Å; L253-E304 HydrophobicContact CD1-CG 4.22Å; L253-E304 PolarHBondContact N-O 2.93Å; L253-L306 HydrophobicContact CD1-CB 4.15Å; L253-L306 HydrophobicContact CD2-CB 3.99Å; L253-L306 HydrophobicContact CG-CB 3.96Å
254	N	98.2	Very high	93.9	Very high	45 Å²	45	45.1 Å²	45.1	24%	0.241	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	159.8	172.6	56.7	61.6	0	0	0	110.4	V79 Q303 E304	V79-N254 CarbonylContact O-C 3.56Å; V79-N254 WeakPolarHBondContact O-CA 3.37Å; V79-N254 VanDerWaalsContact O-CB 3.3Å; V79-N254 WeakPolarHBondContact O-CB 3.24Å; N254-Q303 WeakPolarHBondContact O-CG 3.48Å; N254-E304 PolarHBondContact N-O 3.31Å; N254-E304 WeakPolarHBondContact ND2-CB 3.48Å; N254-E304 PolarHBondContact ND2-OE2 2.78Å; N254-E304 PolarHBondContact O-N 2.79Å; N254-E304 WeakPolarHBondContact OD1-CB 3.28Å; N254-E304 PolarHBondContact OD1-N 3.08Å
255	H	98.6	Very high	94.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	125.1	176.3	-171.4	68.6	0	0	0	110.1	V79 F81 S228 M232 T302 Q303	V79-H255 WeakPolarHBondContact CA-O 3.32Å; V79-H255 HydrophobicContact CB-CB 4.12Å; V79-H255 WeakPolarHBondContact CB-O 3.44Å; V79-H255 HydrophobicContact CG2-CB 4.49Å; V79-H255 VanDerWaalsContact CG2-O 3.28Å; V79-H255 WeakPolarHBondContact CG2-O 3.32Å; V79-H255 PolarHBondContact N-O 2.75Å; V79-H255 PolarHBondContact O-N 2.94Å; F81-H255 HydrophobicContact CE2-CB 3.72Å; F81-H255 HydrophobicContact CZ-CB 4.44Å; S228-H255 PolarHBondContact O-CE1 2.97Å; S228-H255 PolarHBondContact O-NE2 2.95Å; S228-H255 PolarHBondContact OG-NE2 2.85Å; M232-H255 PolarHBondContact SD-CE1 2.89Å; H255-T302 CarbonylContact C-O 3.58Å; H255-T302 WeakPolarHBondContact CA-O 3.48Å; H255-T302 PolarHBondContact ND1-O 3.11Å; H255-Q303 PolarHBondContact ND1-NE2 3.37Å; H255-Q303 VanDerWaalsContact ND1-NE2 3.11Å
256	C	98.7	Very high	94.6	Very high	19 Å²	19	45.5 Å²	45.5	13%	0.128	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.9	180	-60.8	0	0	0	0	109.9	L77 H78 W258 A301 T302	L77-C256 CarbonylContact O-C 3.31Å; L77-C256 VanDerWaalsContact O-CA 3.3Å; L77-C256 WeakPolarHBondContact O-CA 3.48Å; H78-C256 PolarHBondContact ND1-SG 2.89Å; H78-C256 VanDerWaalsContact ND1-SG 3.38Å; C256-W258 HydrophobicContact CB-CE3 4.34Å; C256-W258 HydrophobicContact CB-CH2 3.38Å; C256-W258 HydrophobicContact CB-CZ2 4.24Å; C256-W258 HydrophobicContact CB-CZ3 3.44Å; C256-W258 VanDerWaalsContact CB-CZ3 3.44Å; C256-A301 CarbonylContact O-C 3.59Å; C256-A301 WeakPolarHBondContact O-CA 3.32Å; C256-A301 WeakPolarHBondContact O-CB 3.4Å; C256-T302 PolarHBondContact N-O 2.73Å; C256-T302 PolarHBondContact O-N 2.91Å
257	I	98.8	Very high	94.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.7	179.9	-50.6	176.1	0	0	0	109	S76 L77 S225 S228 F259 M299 T300 A301	S76-I257 CarbonylContact C-O 3.47Å; S76-I257 WeakPolarHBondContact CA-O 3.32Å; S76-I257 WeakPolarHBondContact CB-O 3.45Å; L77-I257 HydrophobicContact CD1-CD1 3.86Å; L77-I257 HydrophobicContact CD1-CG1 4.27Å; L77-I257 HydrophobicContact CD2-CB 3.72Å; L77-I257 HydrophobicContact CD2-CD1 4.01Å; L77-I257 HydrophobicContact CD2-CG1 4.25Å; L77-I257 HydrophobicContact CD2-CG2 4.32Å; L77-I257 HydrophobicContact CG-CB 3.88Å; L77-I257 HydrophobicContact CG-CD1 4.08Å; L77-I257 HydrophobicContact CG-CG1 4.1Å; L77-I257 PolarHBondContact N-O 3.38Å; L77-I257 PolarHBondContact O-N 3.05Å; S225-I257 WeakPolarHBondContact OG-CD1 3.31Å; S228-I257 WeakPolarHBondContact OG-CD1 3.22Å; I257-F259 HydrophobicContact CG2-CD2 4.35Å; I257-F259 HydrophobicContact CG2-CE1 4.42Å; I257-F259 HydrophobicContact CG2-CE2 4.07Å; I257-F259 HydrophobicContact CG2-CZ 4.12Å; I257-M299 HydrophobicContact CG2-CB 4.11Å; I257-M299 HydrophobicContact CG2-SD 3.63Å; I257-T300 WeakPolarHBondContact CA-O 3.5Å; I257-A301 HydrophobicContact CG1-CB 4.29Å
258	W	98.5	Very high	95.2	Very high	83 Å²	83	43.7 Å²	43.7	31%	0.314	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.6	168.9	-65	-102	0	0	0	108.8	H78 C256 M299 T300 T302	H78-W258 AromaticContact CE1-CZ2 3.72Å; C256-W258 HydrophobicContact CB-CE3 4.34Å; C256-W258 HydrophobicContact CB-CH2 3.38Å; C256-W258 HydrophobicContact CB-CZ2 4.24Å; C256-W258 HydrophobicContact CB-CZ3 3.44Å; C256-W258 VanDerWaalsContact CB-CZ3 3.44Å; W258-M299 CarbonylContact O-C 3.52Å; W258-M299 WeakPolarHBondContact O-CA 3.41Å; W258-M299 VanDerWaalsContact O-CB 3.3Å; W258-M299 WeakPolarHBondContact O-CB 3.18Å; W258-T300 PolarHBondContact N-O 2.97Å; W258-T300 PolarHBondContact O-N 2.89Å; W258-T302 HydrophobicContact CZ3-CG2 4.16Å
259	F	97.3	Very high	95.5	Very high	16 Å²	16	40.9 Å²	40.9	7%	0.07	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.4	175.7	-65.8	-83.5	0	0	0	109.7	P74 R75 L77 H221 V224 S225 I257 F264 M299	P74-F259 HydrophobicContact CB-CD2 3.85Å; P74-F259 HydrophobicContact CB-CE2 3.62Å; P74-F259 HydrophobicContact CB-CZ 4.45Å; P74-F259 WeakPolarHBondContact O-CD2 3.43Å; R75-F259 PolarHBondContact O-N 2.85Å; L77-F259 HydrophobicContact CD2-CD2 4.41Å; L77-F259 HydrophobicContact CD2-CE2 3.51Å; L77-F259 HydrophobicContact CD2-CZ 4.24Å; H221-F259 HydrophobicContact CB-CE1 4.21Å; H221-F259 HydrophobicContact CB-CZ 4.01Å; H221-F259 AromaticContact CD2-CD1 3.54Å; H221-F259 AromaticContact CD2-CD2 3.98Å; H221-F259 AromaticContact CD2-CE1 3.58Å; H221-F259 AromaticContact CD2-CG 3.73Å; H221-F259 AromaticContact CD2-CZ 3.79Å; V224-F259 HydrophobicContact CB-CE1 4.25Å; V224-F259 HydrophobicContact CG1-CE1 3.75Å; S225-F259 WeakPolarHBondContact OG-CZ 3.48Å; I257-F259 HydrophobicContact CG2-CD2 4.35Å; I257-F259 HydrophobicContact CG2-CE1 4.42Å; I257-F259 HydrophobicContact CG2-CE2 4.07Å; I257-F259 HydrophobicContact CG2-CZ 4.12Å; F259-F264 HydrophobicContact CD1-CE1 4.36Å; F259-F264 HydrophobicContact CD1-CZ 4.33Å; F259-F264 HydrophobicContact CE1-CZ 4.28Å; F259-M299 HydrophobicContact CD1-CB 4.15Å
260	H	95.6	Very high	95.8	Very high	92 Å²	92	37.4 Å²	37.4	43%	0.426	18%	0.181	S	C	.	.			trans	-108	-28.4	-178.6	-51.7	-60.1	0	0	0	111.3	L297 V298 T300	H260-L297 WeakPolarHBondContact CB-O 3.32Å; H260-V298 PolarHBondContact N-O 3.23Å; H260-T300 PolarHBondContact NE2-N 3.38Å; H260-T300 PolarHBondContact NE2-OG1 3.47Å
261	Q	93.3	Very high	96.1	Very high	56 Å²	56	36.6 Å²	36.6	26%	0.262	18%	0.177	S	C	.	.			trans	-102.6	137	168.8	-59.2	-55	-38.6	0	0	111.2	F264 K296 L297 V298	Q261-F264 HydrophobicContact CB-CD1 4.04Å; Q261-F264 VanDerWaalsContact O-CE1 3.31Å; Q261-F264 WeakPolarHBondContact O-CE1 3.01Å; Q261-K296 HydrophobicContact CG-CB 4.31Å; Q261-L297 VanDerWaalsContact CG-O 3.32Å; Q261-L297 WeakPolarHBondContact CG-O 3.34Å; Q261-L297 PolarHBondContact NE2-O 3.45Å; Q261-V298 HydrophobicContact CG-CG2 4.33Å; Q261-V298 PolarHBondContact N-O 3.08Å
262	K	88.6	Confident	96.3	Very high	83 Å²	83	35.8 Å²	35.8	36%	0.361	17%	0.17	S	C	.	.	S	Bend	trans	-86.6	-25	179.2	-60.5	166.3	179.1	160.7	0	112.9	V73 P128 E129 H221	V73-K262 HydrophobicContact CG2-CB 4.38Å; V73-K262 HydrophobicContact CG2-CG 4.44Å; P128-K262 HydrophobicContact CB-CD 3.68Å; P128-K262 HydrophobicContact CG-CD 4.13Å; E129-K262 PolarHBondContact O-NZ 3.5Å; H221-K262 PolarHBondContact CE1-O 2.96Å
263	R	91.1	Very high	96.3	Very high	119 Å²	119	36 Å²	36	45%	0.449	17%	0.169	S	C	.	.			trans	-135.6	133.3	-179.6	-66.1	-67.8	-172.2	152.6	-0.8	107.8	Q214	Q214-R263 PolarHBondContact O-NH1 2.94Å
264	F	95	Very high	96.3	Very high	15 Å²	15	33.3 Å²	33.3	7%	0.066	16%	0.155	C	C	.	.			trans	-162.9	150.8	179.9	44.9	-96	0	0	0	108.1	H220 H221 V224 F259 Q261 M270 V298	H220-F264 HydrophobicContact CB-CD2 4.24Å; H220-F264 HydrophobicContact CB-CE2 3.78Å; H220-F264 HydrophobicContact CB-CZ 4.43Å; H220-F264 PolarHBondContact CE1-O 3.45Å; H220-F264 PolarHBondContact ND1-O 3.07Å; H220-F264 WeakPolarHBondContact O-CE2 3.33Å; H221-F264 AromaticContact CD2-CZ 3.95Å; H221-F264 AromaticContact CE1-CE1 3.66Å; H221-F264 AromaticContact CE1-CZ 3.77Å; H221-F264 AromaticContact CG-CZ 3.83Å; H221-F264 AromaticContact ND1-CZ 3.72Å; H221-F264 AromaticContact NE2-CE1 3.68Å; H221-F264 AromaticContact NE2-CZ 3.93Å; V224-F264 HydrophobicContact CB-CE2 4.04Å; V224-F264 HydrophobicContact CB-CZ 4.32Å; V224-F264 HydrophobicContact CG2-CD2 3.92Å; V224-F264 HydrophobicContact CG2-CE2 3.31Å; V224-F264 HydrophobicContact CG2-CZ 4.01Å; F259-F264 HydrophobicContact CD1-CE1 4.36Å; F259-F264 HydrophobicContact CD1-CZ 4.33Å; F259-F264 HydrophobicContact CE1-CZ 4.28Å; Q261-F264 HydrophobicContact CB-CD1 4.04Å; Q261-F264 VanDerWaalsContact O-CE1 3.31Å; Q261-F264 WeakPolarHBondContact O-CE1 3.01Å; F264-M270 HydrophobicContact CB-CE 3.91Å; F264-M270 HydrophobicContact CD2-CE 3.85Å; F264-M270 HydrophobicContact CG-CE 4.27Å; F264-V298 HydrophobicContact CB-CG1 4.29Å; F264-V298 HydrophobicContact CB-CG2 4.15Å; F264-V298 HydrophobicContact CD1-CG1 3.57Å; F264-V298 HydrophobicContact CD2-CG1 4.12Å; F264-V298 HydrophobicContact CE1-CG1 3.81Å; F264-V298 HydrophobicContact CE2-CG1 4.33Å; F264-V298 HydrophobicContact CG-CG1 3.73Å; F264-V298 HydrophobicContact CG-CG2 4.48Å; F264-V298 HydrophobicContact CZ-CG1 4.17Å
265	N	95.5	Very high	96.2	Very high	61 Å²	61	34.8 Å²	34.8	33%	0.326	16%	0.162	S	C	.	.			trans	-102.6	105.7	-176.3	-176	8.1	0	0	0	111.6	Q214 S267 D268 M270	Q214-N265 PolarHBondContact NE2-OD1 3.02Å; N265-S267 PolarHBondContact O-N 2.73Å; N265-S267 WeakPolarHBondContact OD1-CA 3.3Å; N265-S267 WeakPolarHBondContact OD1-CB 3.41Å; N265-S267 PolarHBondContact OD1-N 3.38Å; N265-S267 PolarHBondContact OD1-OG 3.33Å; N265-S267 VanDerWaalsContact OD1-OG 3.1Å; N265-D268 HydrophobicContact CB-CB 4.22Å; N265-D268 PolarHBondContact O-N 2.78Å; N265-M270 VanDerWaalsContact O-CE 3.3Å; N265-M270 WeakPolarHBondContact O-CE 3.4Å
266	I	94.8	Very high	96.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-12.6	179	-155.8	52.9	0	0	0	113.9	A208 V212 H220 I223 V224 I227 D268 M270	A208-I266 HydrophobicContact CB-CG2 4.37Å; A208-I266 WeakPolarHBondContact CB-O 3.45Å; A208-I266 PolarHBondContact N-O 2.82Å; A208-I266 VanDerWaalsContact N-O 3.07Å; V212-I266 HydrophobicContact CB-CG2 3.88Å; V212-I266 HydrophobicContact CG2-CG2 3.63Å; H220-I266 PolarHBondContact ND1-N 3.39Å; I223-I266 HydrophobicContact CB-CG1 3.94Å; I223-I266 HydrophobicContact CD1-CG2 3.95Å; I223-I266 HydrophobicContact CG2-CD1 4.07Å; I223-I266 HydrophobicContact CG2-CG1 3.35Å; V224-I266 HydrophobicContact CG2-CD1 3.63Å; I227-I266 HydrophobicContact CD1-CD1 3.7Å; I266-D268 VanDerWaalsContact C-N 3.31Å; I266-M270 HydrophobicContact CD1-CE 4.06Å; I266-M270 HydrophobicContact CD1-SD 3.66Å
267	S	95	Very high	96.1	Very high	31 Å²	31	38.7 Å²	38.7	22%	0.217	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.9	172.1	-31	0	0	0	0	112.3	K207 V212 N265	K207-S267 WeakPolarHBondContact CD-O 3.14Å; K207-S267 WeakPolarHBondContact CG-O 3.29Å; V212-S267 PolarHBondContact N-OG 2.94Å; N265-S267 PolarHBondContact O-N 2.73Å; N265-S267 WeakPolarHBondContact OD1-CA 3.3Å; N265-S267 WeakPolarHBondContact OD1-CB 3.41Å; N265-S267 PolarHBondContact OD1-N 3.38Å; N265-S267 PolarHBondContact OD1-OG 3.33Å; N265-S267 VanDerWaalsContact OD1-OG 3.1Å
268	D	96.6	Very high	96.1	Very high	39 Å²	39	42.6 Å²	42.6	21%	0.209	21%	0.209	C	C	.	.	S	Bend	trans	-99.7	160.9	167	-168.1	17.4	0	0	0	109.5	N265 I266 Q294	N265-D268 HydrophobicContact CB-CB 4.22Å; N265-D268 PolarHBondContact O-N 2.78Å; I266-D268 VanDerWaalsContact C-N 3.31Å; D268-Q294 PolarHBondContact OD2-NE2 3.13Å
269	W	97.6	Very high	96	Very high	13 Å²	13	40.8 Å²	40.8	5%	0.049	21%	0.212	C	C	.	.			trans	-62.3	138.1	177	-75.9	113.5	0	0	0	111.7	P146 D185 R187 W205 K207 R293	P146-W269 HydrophobicContact CB-CD2 3.62Å; P146-W269 HydrophobicContact CB-CE3 3.98Å; P146-W269 HydrophobicContact CB-CG 4.05Å; P146-W269 HydrophobicContact CB-CH2 4.2Å; P146-W269 HydrophobicContact CB-CZ2 3.86Å; P146-W269 HydrophobicContact CB-CZ3 4.25Å; P146-W269 HydrophobicContact CG-CB 4.04Å; P146-W269 VanDerWaalsContact CG-CD1 3.48Å; P146-W269 HydrophobicContact CG-CD2 3.65Å; P146-W269 HydrophobicContact CG-CE3 4.36Å; P146-W269 HydrophobicContact CG-CG 3.49Å; P146-W269 VanDerWaalsContact CG-CG 3.49Å; D185-W269 HydrophobicContact CB-CH2 3.9Å; D185-W269 HydrophobicContact CB-CZ2 4.48Å; D185-W269 HydrophobicContact CB-CZ3 4.5Å; D185-W269 WeakPolarHBondContact O-CZ3 3.4Å; D185-W269 WeakPolarHBondContact OD2-CZ2 3.41Å; R187-W269 HydrophobicContact CG-CH2 3.85Å; R187-W269 HydrophobicContact CG-CZ3 4.3Å; W205-W269 HydrophobicContact CB-CD2 4.45Å; W205-W269 HydrophobicContact CB-CE3 3.6Å; W205-W269 HydrophobicContact CB-CZ3 3.78Å; W205-W269 HydrophobicContact CE3-CB 3.86Å; W205-W269 HydrophobicContact CZ3-CB 4.21Å; K207-W269 HydrophobicContact CB-CD2 3.78Å; K207-W269 HydrophobicContact CB-CE3 3.57Å; K207-W269 HydrophobicContact CB-CG 4.34Å; K207-W269 HydrophobicContact CB-CH2 4.4Å; K207-W269 HydrophobicContact CB-CZ3 3.91Å; K207-W269 HydrophobicContact CD-CD2 4.06Å; K207-W269 HydrophobicContact CD-CG 4.05Å; W269-R293 WeakPolarHBondContact O-CB 3.5Å; W269-R293 PolarHBondContact O-N 3.44Å; W269-R293 VanDerWaalsContact O-N 3.17Å
270	M	98.1	Very high	95.9	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.6	171.6	-65.3	-173.7	176.4	0	0	109.8	W205 V206 V224 F264 N265 I266 L290 W291	W205-M270 CarbonylContact C-O 3.52Å; W205-M270 VanDerWaalsContact CA-O 3.29Å; W205-M270 WeakPolarHBondContact CA-O 3.15Å; W205-M270 VanDerWaalsContact CE3-C 3.42Å; V206-M270 HydrophobicContact CG1-CB 4.25Å; V206-M270 PolarHBondContact N-O 2.92Å; V206-M270 PolarHBondContact O-N 2.93Å; V224-M270 HydrophobicContact CG2-SD 4.28Å; F264-M270 HydrophobicContact CB-CE 3.91Å; F264-M270 HydrophobicContact CD2-CE 3.85Å; F264-M270 HydrophobicContact CG-CE 4.27Å; N265-M270 VanDerWaalsContact O-CE 3.3Å; N265-M270 WeakPolarHBondContact O-CE 3.4Å; I266-M270 HydrophobicContact CD1-CE 4.06Å; I266-M270 HydrophobicContact CD1-SD 3.66Å; M270-L290 HydrophobicContact CB-CD1 3.79Å; M270-L290 HydrophobicContact CB-CG 4.15Å; M270-L290 HydrophobicContact SD-CD2 3.64Å; M270-L290 HydrophobicContact SD-CG 4.15Å; M270-W291 CarbonylContact C-O 3.52Å; M270-W291 WeakPolarHBondContact CA-O 3.32Å; M270-W291 VanDerWaalsContact CB-O 3.27Å; M270-W291 WeakPolarHBondContact CB-O 3.26Å
271	L	98.1	Very high	95.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119	175.9	-176.4	72.9	0	0	0	108.5	I140 P141 V189 V203 W205 L290 W291	I140-L271 HydrophobicContact CD1-CB 4.09Å; I140-L271 HydrophobicContact CD1-CD2 3.84Å; I140-L271 HydrophobicContact CG1-CD2 3.68Å; P141-L271 HydrophobicContact CB-CD2 4.39Å; P141-L271 HydrophobicContact CG-CD2 4.4Å; V189-L271 HydrophobicContact CG2-CD1 3.91Å; V203-L271 HydrophobicContact CG1-CD1 3.8Å; V203-L271 HydrophobicContact CG1-CG 4.3Å; W205-L271 HydrophobicContact CD2-CB 4.2Å; W205-L271 HydrophobicContact CD2-CD1 3.9Å; W205-L271 HydrophobicContact CE3-CB 3.91Å; W205-L271 HydrophobicContact CE3-CD1 4.45Å; W205-L271 HydrophobicContact CG-CD1 4.12Å; W205-L271 HydrophobicContact CH2-CB 3.96Å; W205-L271 HydrophobicContact CZ2-CB 4.25Å; W205-L271 HydrophobicContact CZ2-CD1 4.18Å; W205-L271 HydrophobicContact CZ3-CB 3.78Å; L271-L290 CarbonylContact O-C 3.53Å; L271-L290 WeakPolarHBondContact O-CA 3.08Å; L271-W291 HydrophobicContact CB-CB 4.25Å; L271-W291 PolarHBondContact N-O 3.15Å; L271-W291 PolarHBondContact O-N 2.93Å
272	Y	98	Very high	96	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.2	173.7	-165.2	-147	0	0	0	110	V203 F204 I227 S228 T274 R289 L290 M299	V203-Y272 WeakPolarHBondContact CA-O 3.18Å; F204-Y272 AromaticContact CE1-CD1 3.77Å; F204-Y272 HydrophobicContact CE1-CD1 3.77Å; F204-Y272 HydrophobicContact CE1-CG 4.42Å; F204-Y272 HydrophobicContact CE2-CD1 4.1Å; F204-Y272 AromaticContact CZ-CD1 3.38Å; F204-Y272 HydrophobicContact CZ-CD1 3.38Å; F204-Y272 HydrophobicContact CZ-CE1 4.26Å; F204-Y272 HydrophobicContact CZ-CG 4.18Å; F204-Y272 PolarHBondContact N-O 2.86Å; F204-Y272 PolarHBondContact O-N 2.68Å; I227-Y272 HydrophobicContact CG2-CD1 3.99Å; I227-Y272 HydrophobicContact CG2-CE1 4.46Å; I227-Y272 HydrophobicContact CG2-CG 4.42Å; I227-Y272 WeakPolarHBondContact O-CE1 3.03Å; S228-Y272 PolarHBondContact O-OH 2.81Å; Y272-T274 HydrophobicContact CD1-CG2 4.18Å; Y272-T274 HydrophobicContact CE1-CG2 3.53Å; Y272-T274 HydrophobicContact CE2-CG2 4.07Å; Y272-T274 VanDerWaalsContact CZ-CG2 3.43Å; Y272-R289 VanDerWaalsContact CD2-O 3.29Å; Y272-R289 WeakPolarHBondContact CD2-O 3.31Å; Y272-L290 HydrophobicContact CD2-CB 3.91Å; Y272-L290 HydrophobicContact CD2-CD1 3.89Å; Y272-L290 HydrophobicContact CG-CD1 3.89Å; Y272-M299 HydrophobicContact CD2-CE 4.32Å; Y272-M299 HydrophobicContact CE2-CE 3.9Å
273	E	97	Very high	96.5	Very high	22 Å²	22	44.6 Å²	44.6	10%	0.103	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140	169.2	63	177	140.1	0	0	109.8	N202 V203 G288 R289 W291	N202-E273 CarbonylContact O-C 3.6Å; N202-E273 VanDerWaalsContact O-CA 3.28Å; N202-E273 WeakPolarHBondContact O-CA 3.32Å; V203-E273 HydrophobicContact CG2-CB 4.12Å; E273-G288 CarbonylContact O-C 3.59Å; E273-G288 WeakPolarHBondContact O-CA 3.07Å; E273-R289 VanDerWaalsContact CD-NE 3.33Å; E273-R289 VanDerWaalsContact CD-NH2 3.34Å; E273-R289 HydrophobicContact CG-CB 3.76Å; E273-R289 WeakPolarHBondContact CG-O 3.4Å; E273-R289 PolarHBondContact N-O 3.3Å; E273-R289 PolarHBondContact O-N 3.22Å; E273-R289 IonicContact OE1-CZ 2.74Å; E273-R289 VanDerWaalsContact OE1-CZ 3.25Å; E273-R289 IonicContact OE1-NE 3.84Å; E273-R289 PolarHBondContact OE1-NE 2.9Å; E273-R289 IonicContact OE1-NH2 2.71Å; E273-R289 PolarHBondContact OE1-NH2 2.71Å; E273-R289 IonicContact OE2-CZ 3.78Å; E273-R289 IonicContact OE2-NE 2.81Å; E273-R289 IonicContact OE2-NH2 2.75Å; E273-R289 PolarHBondContact OE2-NH2 2.71Å; E273-W291 PolarHBondContact OE1-NE1 2.94Å
274	T	97.5	Very high	96.8	Very high	3 Å²	3	39 Å²	39	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.1	173.1	52.9	0	0	0	0	108.7	R201 N202 M232 Y272 T287	R201-T274 CarbonylContact C-O 3.6Å; R201-T274 VanDerWaalsContact C-O 3.31Å; R201-T274 WeakPolarHBondContact CA-O 3.46Å; R201-T274 WeakPolarHBondContact CB-O 3.5Å; N202-T274 WeakPolarHBondContact CB-OG1 3.49Å; N202-T274 PolarHBondContact N-O 2.86Å; N202-T274 PolarHBondContact N-OG1 2.83Å; N202-T274 PolarHBondContact ND2-OG1 3.22Å; N202-T274 PolarHBondContact O-N 3.23Å; M232-T274 HydrophobicContact CG-CG2 3.89Å; Y272-T274 HydrophobicContact CD1-CG2 4.18Å; Y272-T274 HydrophobicContact CE1-CG2 3.53Å; Y272-T274 HydrophobicContact CE2-CG2 4.07Å; Y272-T274 VanDerWaalsContact CZ-CG2 3.43Å; T274-T287 CarbonylContact C-O 3.48Å; T274-T287 WeakPolarHBondContact CA-O 3.41Å
275	I	97.2	Very high	97	Very high	75 Å²	75	41.8 Å²	41.8	39%	0.385	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	129	177.1	-174.6	169.8	0	0	0	110.2	P200 R201 V286 T287	P200-I275 CarbonylContact O-C 3.5Å; P200-I275 WeakPolarHBondContact O-CA 3.35Å; R201-I275 HydrophobicContact CB-CB 4.2Å; R201-I275 HydrophobicContact CB-CG1 4.26Å; I275-V286 CarbonylContact O-C 3.56Å; I275-V286 WeakPolarHBondContact O-CA 3.05Å; I275-V286 WeakPolarHBondContact O-CG1 3.14Å; I275-T287 WeakPolarHBondContact CG2-OG1 3.32Å; I275-T287 PolarHBondContact N-O 2.77Å; I275-T287 PolarHBondContact O-N 2.67Å
276	S	98.1	Very high	97.1	Very high	7 Å²	7	38.9 Å²	38.9	5%	0.049	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.6	171.1	173.7	0	0	0	0	109.4	P200 A236 F285	P200-S276 PolarHBondContact O-N 2.8Å; A236-S276 VanDerWaalsContact CA-CB 3.44Å; A236-S276 WeakPolarHBondContact CB-OG 3.49Å; S276-F285 VanDerWaalsContact CA-O 3.26Å; S276-F285 WeakPolarHBondContact CA-O 3.3Å; S276-F285 PolarHBondContact OG-O 3.36Å
277	T	96.7	Very high	97.3	Very high	95 Å²	95	40.9 Å²	40.9	58%	0.583	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	-23.1	179.9	59.2	0	0	0	0	112.6	F285	T277-F285 PolarHBondContact N-O 3Å; T277-F285 VanDerWaalsContact N-O 3.11Å; T277-F285 WeakPolarHBondContact OG1-CD1 3.37Å
278	V	97.6	Very high	97.5	Very high	81 Å²	81	39.5 Å²	39.5	49%	0.491	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	137.9	178.6	60	0	0	0	0	110.8	A284 F285	V278-A284 CarbonylContact O-C 3.5Å; V278-A284 VanDerWaalsContact O-CA 3.27Å; V278-A284 WeakPolarHBondContact O-CA 3.46Å; V278-F285 HydrophobicContact CG1-CB 3.93Å; V278-F285 PolarHBondContact O-N 3.35Å
279	A	97	Very high	97.6	Very high	46 Å²	46	41.4 Å²	41.4	38%	0.38	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	113.3	165.1	0	0	0	0	0	108.5	R283 A284	A279-R283 CarbonylContact C-O 3.51Å; A279-R283 VanDerWaalsContact CA-O 3.26Å; A279-R283 WeakPolarHBondContact CA-O 3.39Å; A279-A284 HydrophobicContact CB-CB 4Å
280	S	96.1	Very high	97.6	Very high	87 Å²	87	40.8 Å²	40.8	61%	0.608	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-162.5	152.6	-178	-176	0	0	0	0	111.1	A282 R283	S280-A282 VanDerWaalsContact C-N 3.32Å; S280-A282 PolarHBondContact O-N 2.77Å; S280-R283 PolarHBondContact N-O 2.82Å; S280-R283 PolarHBondContact O-N 2.93Å; S280-R283 VanDerWaalsContact O-O 3.11Å
281	G	95.1	Very high	97.7	Very high	64 Å²	64	40.7 Å²	40.7	66%	0.66	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	41.4	176.3	0	0	0	0	0	113.4	R283	G281-R283 PolarHBondContact O-N 3.32Å
282	A	96.2	Very high	97.6	Very high	45 Å²	45	41.3 Å²	41.3	37%	0.372	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	22.8	-175.4	0	0	0	0	0	114.7	S280 I307 R308	S280-A282 VanDerWaalsContact C-N 3.32Å; S280-A282 PolarHBondContact O-N 2.77Å; A282-I307 CarbonylContact C-O 3.59Å; A282-I307 WeakPolarHBondContact CA-O 3.41Å; A282-I307 VanDerWaalsContact CB-O 3.26Å; A282-I307 WeakPolarHBondContact CB-O 3.03Å; A282-I307 CarbonylContact O-C 3.48Å; A282-I307 PolarHBondContact O-N 3.34Å; A282-R308 HydrophobicContact CB-CG 4.27Å
283	R	97.9	Very high	97.6	Very high	131 Å²	131	45.1 Å²	45.1	49%	0.494	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	156	178	-62.6	-175.9	-65.6	166.8	-5.1	111.7	L253 A279 S280 G281 E304 A305	L253-R283 HydrophobicContact CD1-CG 4.48Å; A279-R283 CarbonylContact C-O 3.51Å; A279-R283 VanDerWaalsContact CA-O 3.26Å; A279-R283 WeakPolarHBondContact CA-O 3.39Å; S280-R283 PolarHBondContact N-O 2.82Å; S280-R283 PolarHBondContact O-N 2.93Å; S280-R283 VanDerWaalsContact O-O 3.11Å; G281-R283 PolarHBondContact O-N 3.32Å; R283-E304 VanDerWaalsContact CD-OE1 3.24Å; R283-E304 WeakPolarHBondContact CD-OE1 3.21Å; R283-E304 IonicContact CZ-OE1 3.9Å; R283-E304 IonicContact NE-OE1 2.94Å; R283-E304 IonicContact NH1-OE1 3.7Å; R283-E304 PolarHBondContact NH1-OE1 3.23Å; R283-A305 CarbonylContact C-O 3.57Å; R283-A305 WeakPolarHBondContact CA-O 3.35Å
284	A	98.2	Very high	97.5	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.017	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.5	168.6	0	0	0	0	0	111.2	A236 V278 A279 E304 A305 I307	A236-A284 HydrophobicContact CB-CB 3.44Å; A236-A284 VanDerWaalsContact CB-CB 3.44Å; V278-A284 CarbonylContact O-C 3.5Å; V278-A284 VanDerWaalsContact O-CA 3.27Å; V278-A284 WeakPolarHBondContact O-CA 3.46Å; A279-A284 HydrophobicContact CB-CB 4Å; A284-E304 CarbonylContact O-C 3.5Å; A284-E304 WeakPolarHBondContact O-CA 3.21Å; A284-A305 HydrophobicContact CB-CB 4.49Å; A284-A305 PolarHBondContact N-O 3.12Å; A284-A305 PolarHBondContact O-N 3.04Å; A284-I307 HydrophobicContact CB-CD1 3.75Å
285	F	98.6	Very high	97.4	Very high	73 Å²	73	51 Å²	51	32%	0.32	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.6	174.3	178.7	-99.3	0	0	0	110.2	S276 T277 V278 T287 T302	S276-F285 VanDerWaalsContact CA-O 3.26Å; S276-F285 WeakPolarHBondContact CA-O 3.3Å; S276-F285 PolarHBondContact OG-O 3.36Å; T277-F285 PolarHBondContact N-O 3Å; T277-F285 VanDerWaalsContact N-O 3.11Å; T277-F285 WeakPolarHBondContact OG1-CD1 3.37Å; V278-F285 HydrophobicContact CG1-CB 3.93Å; V278-F285 PolarHBondContact O-N 3.35Å; F285-T287 HydrophobicContact CD1-CG2 4.38Å; F285-T287 HydrophobicContact CE1-CG2 3.45Å; F285-T287 VanDerWaalsContact CE1-CG2 3.45Å; F285-T287 HydrophobicContact CZ-CG2 3.81Å; F285-T302 HydrophobicContact CZ-CG2 4.08Å
286	V	98.7	Very high	97.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.5	-173.2	-166.7	0	0	0	0	109.2	M232 A235 A236 I275 T302 Q303	M232-V286 HydrophobicContact CB-CB 4.29Å; M232-V286 HydrophobicContact CB-CG1 4.03Å; M232-V286 HydrophobicContact CE-CB 3.9Å; M232-V286 HydrophobicContact CE-CG1 3.79Å; M232-V286 VanDerWaalsContact CE-O 3.31Å; M232-V286 WeakPolarHBondContact CE-O 3.49Å; M232-V286 HydrophobicContact CG-CG1 4.4Å; M232-V286 WeakPolarHBondContact O-CG2 3.34Å; A235-V286 HydrophobicContact CB-CG1 4.16Å; A236-V286 HydrophobicContact CB-CG2 3.98Å; I275-V286 CarbonylContact O-C 3.56Å; I275-V286 WeakPolarHBondContact O-CA 3.05Å; I275-V286 WeakPolarHBondContact O-CG1 3.14Å; V286-T302 CarbonylContact O-C 3.23Å; V286-T302 WeakPolarHBondContact O-CA 3.27Å; V286-Q303 PolarHBondContact N-O 3.09Å; V286-Q303 PolarHBondContact O-N 2.7Å
287	T	98.6	Very high	97.5	Very high	41 Å²	41	52.3 Å²	52.3	25%	0.252	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	157.4	169.1	65.2	0	0	0	0	109.7	T274 I275 F285 A301 T302	T274-T287 CarbonylContact C-O 3.48Å; T274-T287 WeakPolarHBondContact CA-O 3.41Å; I275-T287 WeakPolarHBondContact CG2-OG1 3.32Å; I275-T287 PolarHBondContact N-O 2.77Å; I275-T287 PolarHBondContact O-N 2.67Å; F285-T287 HydrophobicContact CD1-CG2 4.38Å; F285-T287 HydrophobicContact CE1-CG2 3.45Å; F285-T287 VanDerWaalsContact CE1-CG2 3.45Å; F285-T287 HydrophobicContact CZ-CG2 3.81Å; T287-A301 CarbonylContact C-O 3.6Å; T287-A301 WeakPolarHBondContact CA-O 3.17Å; T287-T302 HydrophobicContact CG2-CG2 4.21Å
288	G	98.4	Very high	97.5	Very high	2 Å²	2	47.8 Å²	47.8	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152.6	173.7	0	0	0	0	0	113.4	E273 T300 A301	E273-G288 CarbonylContact O-C 3.59Å; E273-G288 WeakPolarHBondContact O-CA 3.07Å; G288-T300 CarbonylContact O-C 3.55Å; G288-T300 VanDerWaalsContact O-CA 3.29Å; G288-T300 WeakPolarHBondContact O-CA 3.42Å; G288-T300 WeakPolarHBondContact O-CG2 2.97Å; G288-A301 PolarHBondContact N-O 2.93Å; G288-A301 PolarHBondContact O-N 2.82Å
289	R	98.6	Very high	97.6	Very high	80 Å²	80	44 Å²	44	30%	0.302	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.7	177.2	-67	-178.7	-71	-163.1	-5	108.9	D138 Y272 E273 W291 L297 M299 T300	D138-R289 IonicContact OD2-NH1 2.62Å; D138-R289 PolarHBondContact OD2-NH1 2.88Å; Y272-R289 VanDerWaalsContact CD2-O 3.29Å; Y272-R289 WeakPolarHBondContact CD2-O 3.31Å; E273-R289 VanDerWaalsContact CD-NE 3.33Å; E273-R289 VanDerWaalsContact CD-NH2 3.34Å; E273-R289 HydrophobicContact CG-CB 3.76Å; E273-R289 WeakPolarHBondContact CG-O 3.4Å; E273-R289 PolarHBondContact N-O 3.3Å; E273-R289 PolarHBondContact O-N 3.22Å; E273-R289 IonicContact OE1-CZ 2.74Å; E273-R289 VanDerWaalsContact OE1-CZ 3.25Å; E273-R289 IonicContact OE1-NE 3.84Å; E273-R289 PolarHBondContact OE1-NE 2.9Å; E273-R289 IonicContact OE1-NH2 2.71Å; E273-R289 PolarHBondContact OE1-NH2 2.71Å; E273-R289 IonicContact OE2-CZ 3.78Å; E273-R289 IonicContact OE2-NE 2.81Å; E273-R289 IonicContact OE2-NH2 2.75Å; E273-R289 PolarHBondContact OE2-NH2 2.71Å; R289-W291 HydrophobicContact CB-CZ2 4.36Å; R289-L297 HydrophobicContact CB-CD1 3.85Å; R289-L297 HydrophobicContact CG-CD1 4.17Å; R289-M299 WeakPolarHBondContact CA-O 3.49Å; R289-T300 HydrophobicContact CG-CG2 4.33Å
290	L	98.6	Very high	97.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.6	175.4	-172.8	74.1	0	0	0	109.2	V206 V224 M270 L271 Y272 V298 M299	V206-L290 HydrophobicContact CG1-CD1 4.23Å; V224-L290 HydrophobicContact CB-CD2 4.29Å; V224-L290 HydrophobicContact CG1-CD2 3.66Å; V224-L290 HydrophobicContact CG2-CD2 3.78Å; M270-L290 HydrophobicContact CB-CD1 3.79Å; M270-L290 HydrophobicContact CB-CG 4.15Å; M270-L290 HydrophobicContact SD-CD2 3.64Å; M270-L290 HydrophobicContact SD-CG 4.15Å; L271-L290 CarbonylContact O-C 3.53Å; L271-L290 WeakPolarHBondContact O-CA 3.08Å; Y272-L290 HydrophobicContact CD2-CB 3.91Å; Y272-L290 HydrophobicContact CD2-CD1 3.89Å; Y272-L290 HydrophobicContact CG-CD1 3.89Å; L290-V298 HydrophobicContact CD2-CG1 4.41Å; L290-V298 WeakPolarHBondContact O-CA 3.38Å; L290-V298 WeakPolarHBondContact O-CB 3.16Å; L290-V298 PolarHBondContact O-N 3.17Å; L290-M299 HydrophobicContact CB-CE 3.55Å; L290-M299 HydrophobicContact CB-CG 3.56Å; L290-M299 HydrophobicContact CB-SD 4.46Å; L290-M299 HydrophobicContact CD2-CE 3.8Å; L290-M299 HydrophobicContact CD2-CG 4.2Å; L290-M299 HydrophobicContact CG-CE 4.2Å; L290-M299 PolarHBondContact N-O 3.34Å; L290-M299 PolarHBondContact O-N 2.71Å
291	W	98.6	Very high	97.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.6	-176.1	-53.3	88.3	0	0	0	110.4	D138 I140 M270 L271 E273 R289 K296 L297	D138-W291 HydrophobicContact CB-CH2 3.64Å; D138-W291 HydrophobicContact CB-CZ2 4.43Å; D138-W291 WeakPolarHBondContact O-CZ3 3.32Å; I140-W291 HydrophobicContact CB-CB 4.48Å; I140-W291 HydrophobicContact CB-CD2 4.03Å; I140-W291 HydrophobicContact CB-CE3 3.89Å; I140-W291 HydrophobicContact CB-CG 4.3Å; I140-W291 HydrophobicContact CB-CZ3 4.38Å; I140-W291 HydrophobicContact CD1-CB 3.64Å; I140-W291 HydrophobicContact CD1-CG 4.17Å; I140-W291 HydrophobicContact CG1-CB 3.83Å; I140-W291 HydrophobicContact CG1-CD2 4.03Å; I140-W291 HydrophobicContact CG1-CE3 4.37Å; I140-W291 HydrophobicContact CG1-CG 3.78Å; M270-W291 CarbonylContact C-O 3.52Å; M270-W291 WeakPolarHBondContact CA-O 3.32Å; M270-W291 VanDerWaalsContact CB-O 3.27Å; M270-W291 WeakPolarHBondContact CB-O 3.26Å; L271-W291 HydrophobicContact CB-CB 4.25Å; L271-W291 PolarHBondContact N-O 3.15Å; L271-W291 PolarHBondContact O-N 2.93Å; E273-W291 PolarHBondContact OE1-NE1 2.94Å; R289-W291 HydrophobicContact CB-CZ2 4.36Å; W291-K296 CarbonylContact C-O 3.58Å; W291-K296 WeakPolarHBondContact CA-O 3.47Å; W291-L297 HydrophobicContact CD2-CD1 3.89Å; W291-L297 HydrophobicContact CE3-CB 3.8Å; W291-L297 HydrophobicContact CE3-CD1 4Å; W291-L297 HydrophobicContact CH2-CB 4.18Å; W291-L297 HydrophobicContact CH2-CD1 3.98Å; W291-L297 HydrophobicContact CH2-CG 4.47Å; W291-L297 HydrophobicContact CZ2-CD1 3.85Å; W291-L297 HydrophobicContact CZ3-CB 3.6Å; W291-L297 HydrophobicContact CZ3-CD1 4.05Å; W291-L297 HydrophobicContact CZ3-CG 4.32Å
292	S	97.7	Very high	97.9	Very high	13 Å²	13	37.8 Å²	37.8	9%	0.091	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	160.3	166	81.4	0	0	0	0	110.3	Q294 G295 K296	S292-Q294 PolarHBondContact O-N 3.19Å; S292-Q294 VanDerWaalsContact O-N 3.11Å; S292-Q294 PolarHBondContact OG-N 3.17Å; S292-Q294 PolarHBondContact OG-OE1 3.1Å; S292-G295 PolarHBondContact O-N 3.37Å; S292-K296 PolarHBondContact N-O 3.38Å; S292-K296 PolarHBondContact OG-N 3.33Å
293	R	96.4	Very high	98.1	Very high	80 Å²	80	35.6 Å²	35.6	30%	0.302	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.4	172.8	-171.8	173.6	-173	150.5	14.4	113.4	E147 W205 W269 G295	E147-R293 IonicContact OE1-CZ 3.12Å; E147-R293 IonicContact OE1-NH1 2.71Å; E147-R293 PolarHBondContact OE1-NH1 2.82Å; E147-R293 IonicContact OE1-NH2 3.78Å; E147-R293 PolarHBondContact OE1-NH2 3.26Å; E147-R293 IonicContact OE2-CZ 2.71Å; E147-R293 IonicContact OE2-NH2 3.18Å; E147-R293 PolarHBondContact OE2-NH2 2.71Å; W205-R293 HydrophobicContact CZ3-CB 4.45Å; W269-R293 WeakPolarHBondContact O-CB 3.5Å; W269-R293 PolarHBondContact O-N 3.44Å; W269-R293 VanDerWaalsContact O-N 3.17Å; R293-G295 PolarHBondContact O-N 2.98Å
294	Q	95.4	Very high	98.1	Very high	134 Å²	134	31.4 Å²	31.4	63%	0.626	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	6.3	179.1	-55.5	74.5	27.9	0	0	113.1	D268 S292	D268-Q294 PolarHBondContact OD2-NE2 3.13Å; S292-Q294 PolarHBondContact O-N 3.19Å; S292-Q294 VanDerWaalsContact O-N 3.11Å; S292-Q294 PolarHBondContact OG-N 3.17Å; S292-Q294 PolarHBondContact OG-OE1 3.1Å
295	G	96.9	Very high	98.1	Very high	15 Å²	15	31.3 Å²	31.3	16%	0.155	15%	0.151	C	C	.	.	S	Bend	trans	82.7	16.8	175.9	0	0	0	0	0	115.2	S292 R293	S292-G295 PolarHBondContact O-N 3.37Å; R293-G295 PolarHBondContact O-N 2.98Å
296	K	97.6	Very high	98	Very high	89 Å²	89	29 Å²	29	39%	0.387	14%	0.142	S	C	.	.			trans	-85	130.4	175.1	-62.8	-52.4	-167.6	-175.7	0	110.9	E137 Q261 W291 S292 V298	E137-K296 WeakPolarHBondContact OE1-CD 3.18Å; E137-K296 IonicContact OE1-NZ 2.79Å; E137-K296 PolarHBondContact OE1-NZ 2.93Å; Q261-K296 HydrophobicContact CG-CB 4.31Å; W291-K296 CarbonylContact C-O 3.58Å; W291-K296 WeakPolarHBondContact CA-O 3.47Å; S292-K296 PolarHBondContact N-O 3.38Å; S292-K296 PolarHBondContact OG-N 3.33Å; K296-V298 PolarHBondContact O-N 3.31Å; K296-V298 VanDerWaalsContact O-N 3.13Å
297	L	98.2	Very high	97.9	Very high	20 Å²	20	29.7 Å²	29.7	11%	0.105	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	108.1	176.6	-177.2	63.3	0	0	0	109.5	E137 H260 Q261 R289 W291	E137-L297 PolarHBondContact OE2-N 2.87Å; E137-L297 VanDerWaalsContact OE2-N 3.08Å; H260-L297 WeakPolarHBondContact CB-O 3.32Å; Q261-L297 VanDerWaalsContact CG-O 3.32Å; Q261-L297 WeakPolarHBondContact CG-O 3.34Å; Q261-L297 PolarHBondContact NE2-O 3.45Å; R289-L297 HydrophobicContact CB-CD1 3.85Å; R289-L297 HydrophobicContact CG-CD1 4.17Å; W291-L297 HydrophobicContact CD2-CD1 3.89Å; W291-L297 HydrophobicContact CE3-CB 3.8Å; W291-L297 HydrophobicContact CE3-CD1 4Å; W291-L297 HydrophobicContact CH2-CB 4.18Å; W291-L297 HydrophobicContact CH2-CD1 3.98Å; W291-L297 HydrophobicContact CH2-CG 4.47Å; W291-L297 HydrophobicContact CZ2-CD1 3.85Å; W291-L297 HydrophobicContact CZ3-CB 3.6Å; W291-L297 HydrophobicContact CZ3-CD1 4.05Å; W291-L297 HydrophobicContact CZ3-CG 4.32Å
298	V	98	Very high	97.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-50.3	-176.7	173.9	0	0	0	0	111.4	H260 Q261 F264 L290 K296	H260-V298 PolarHBondContact N-O 3.23Å; Q261-V298 HydrophobicContact CG-CG2 4.33Å; Q261-V298 PolarHBondContact N-O 3.08Å; F264-V298 HydrophobicContact CB-CG1 4.29Å; F264-V298 HydrophobicContact CB-CG2 4.15Å; F264-V298 HydrophobicContact CD1-CG1 3.57Å; F264-V298 HydrophobicContact CD2-CG1 4.12Å; F264-V298 HydrophobicContact CE1-CG1 3.81Å; F264-V298 HydrophobicContact CE2-CG1 4.33Å; F264-V298 HydrophobicContact CG-CG1 3.73Å; F264-V298 HydrophobicContact CG-CG2 4.48Å; F264-V298 HydrophobicContact CZ-CG1 4.17Å; L290-V298 HydrophobicContact CD2-CG1 4.41Å; L290-V298 WeakPolarHBondContact O-CA 3.38Å; L290-V298 WeakPolarHBondContact O-CB 3.16Å; L290-V298 PolarHBondContact O-N 3.17Å; K296-V298 PolarHBondContact O-N 3.31Å; K296-V298 VanDerWaalsContact O-N 3.13Å
299	M	98.2	Very high	97.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	159.9	179.2	65	146.7	-176.1	0	0	112.2	V224 S228 I257 W258 F259 Y272 R289 L290	V224-M299 HydrophobicContact CG1-CB 4.42Å; V224-M299 HydrophobicContact CG1-CE 3.8Å; V224-M299 HydrophobicContact CG1-CG 3.71Å; V224-M299 HydrophobicContact CG1-SD 3.5Å; V224-M299 WeakPolarHBondContact CG1-SD 3.34Å; S228-M299 VanDerWaalsContact CB-CE 3.43Å; I257-M299 HydrophobicContact CG2-CB 4.11Å; I257-M299 HydrophobicContact CG2-SD 3.63Å; W258-M299 CarbonylContact O-C 3.52Å; W258-M299 WeakPolarHBondContact O-CA 3.41Å; W258-M299 VanDerWaalsContact O-CB 3.3Å; W258-M299 WeakPolarHBondContact O-CB 3.18Å; F259-M299 HydrophobicContact CD1-CB 4.15Å; Y272-M299 HydrophobicContact CD2-CE 4.32Å; Y272-M299 HydrophobicContact CE2-CE 3.9Å; R289-M299 WeakPolarHBondContact CA-O 3.49Å; L290-M299 HydrophobicContact CB-CE 3.55Å; L290-M299 HydrophobicContact CB-CG 3.56Å; L290-M299 HydrophobicContact CB-SD 4.46Å; L290-M299 HydrophobicContact CD2-CE 3.8Å; L290-M299 HydrophobicContact CD2-CG 4.2Å; L290-M299 HydrophobicContact CG-CE 4.2Å; L290-M299 PolarHBondContact N-O 3.34Å; L290-M299 PolarHBondContact O-N 2.71Å
300	T	98.7	Very high	97.1	Very high	37 Å²	37	36.9 Å²	36.9	23%	0.227	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.7	163.7	-53.9	0	0	0	0	108.9	I257 W258 H260 G288 R289	I257-T300 WeakPolarHBondContact CA-O 3.5Å; W258-T300 PolarHBondContact N-O 2.97Å; W258-T300 PolarHBondContact O-N 2.89Å; H260-T300 PolarHBondContact NE2-N 3.38Å; H260-T300 PolarHBondContact NE2-OG1 3.47Å; G288-T300 CarbonylContact O-C 3.55Å; G288-T300 VanDerWaalsContact O-CA 3.29Å; G288-T300 WeakPolarHBondContact O-CA 3.42Å; G288-T300 WeakPolarHBondContact O-CG2 2.97Å; R289-T300 HydrophobicContact CG-CG2 4.33Å
301	A	98.7	Very high	96.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	156.2	177.5	0	0	0	0	0	112	C256 I257 T287 G288	C256-A301 CarbonylContact O-C 3.59Å; C256-A301 WeakPolarHBondContact O-CA 3.32Å; C256-A301 WeakPolarHBondContact O-CB 3.4Å; I257-A301 HydrophobicContact CG1-CB 4.29Å; T287-A301 CarbonylContact C-O 3.6Å; T287-A301 WeakPolarHBondContact CA-O 3.17Å; G288-A301 PolarHBondContact N-O 2.93Å; G288-A301 PolarHBondContact O-N 2.82Å
302	T	98.7	Very high	94.3	Very high	30 Å²	30	47.7 Å²	47.7	18%	0.184	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.9	171.4	61.3	0	0	0	0	109.6	H255 C256 W258 F285 V286 T287	H255-T302 CarbonylContact C-O 3.58Å; H255-T302 WeakPolarHBondContact CA-O 3.48Å; H255-T302 PolarHBondContact ND1-O 3.11Å; C256-T302 PolarHBondContact N-O 2.73Å; C256-T302 PolarHBondContact O-N 2.91Å; W258-T302 HydrophobicContact CZ3-CG2 4.16Å; F285-T302 HydrophobicContact CZ-CG2 4.08Å; V286-T302 CarbonylContact O-C 3.23Å; V286-T302 WeakPolarHBondContact O-CA 3.27Å; T287-T302 HydrophobicContact CG2-CG2 4.21Å
303	Q	98.7	Very high	92.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	132.9	178.7	-177.9	165.7	111.5	0	0	110.8	D229 M232 S252 N254 H255 V286	D229-Q303 PolarHBondContact OD1-NE2 3.01Å; M232-Q303 HydrophobicContact CB-CB 4.4Å; M232-Q303 HydrophobicContact CE-CB 3.77Å; M232-Q303 HydrophobicContact SD-CB 3.49Å; M232-Q303 WeakPolarHBondContact SD-CB 3Å; M232-Q303 HydrophobicContact SD-CG 4.37Å; S252-Q303 PolarHBondContact OG-NE2 2.96Å; S252-Q303 PolarHBondContact OG-OE1 3.08Å; N254-Q303 WeakPolarHBondContact O-CG 3.48Å; H255-Q303 PolarHBondContact ND1-NE2 3.37Å; H255-Q303 VanDerWaalsContact ND1-NE2 3.11Å; V286-Q303 PolarHBondContact N-O 3.09Å; V286-Q303 PolarHBondContact O-N 2.7Å
304	E	98.5	Very high	89.6	Confident	43 Å²	43	58.8 Å²	58.8	20%	0.201	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.4	161.8	-168.9	-178.3	-173.2	0	0	109	L253 N254 R283 A284	L253-E304 WeakPolarHBondContact CB-O 3.35Å; L253-E304 HydrophobicContact CD1-CG 4.22Å; L253-E304 PolarHBondContact N-O 2.93Å; N254-E304 PolarHBondContact N-O 3.31Å; N254-E304 WeakPolarHBondContact ND2-CB 3.48Å; N254-E304 PolarHBondContact ND2-OE2 2.78Å; N254-E304 PolarHBondContact O-N 2.79Å; N254-E304 WeakPolarHBondContact OD1-CB 3.28Å; N254-E304 PolarHBondContact OD1-N 3.08Å; R283-E304 VanDerWaalsContact CD-OE1 3.24Å; R283-E304 WeakPolarHBondContact CD-OE1 3.21Å; R283-E304 IonicContact CZ-OE1 3.9Å; R283-E304 IonicContact NE-OE1 2.94Å; R283-E304 IonicContact NH1-OE1 3.7Å; R283-E304 PolarHBondContact NH1-OE1 3.23Å; A284-E304 CarbonylContact O-C 3.5Å; A284-E304 WeakPolarHBondContact O-CA 3.21Å
305	A	97.9	Very high	86.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	143.9	179.4	0	0	0	0	0	111	I233 A251 R283 A284	I233-A305 HydrophobicContact CB-CB 4.31Å; I233-A305 HydrophobicContact CD1-CB 3.95Å; I233-A305 HydrophobicContact CG1-CB 3.72Å; I233-A305 HydrophobicContact CG2-CB 3.88Å; A251-A305 CarbonylContact O-C 3.52Å; A251-A305 WeakPolarHBondContact O-CA 3.42Å; R283-A305 CarbonylContact C-O 3.57Å; R283-A305 WeakPolarHBondContact CA-O 3.35Å; A284-A305 HydrophobicContact CB-CB 4.49Å; A284-A305 PolarHBondContact N-O 3.12Å; A284-A305 PolarHBondContact O-N 3.04Å
306	L	97.2	Very high	84.1	Confident	23 Å²	23	73.6 Å²	73.6	12%	0.12	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.5	163.3	-179	74.9	0	0	0	108.9	Q249 I250 A251 L253 R308	Q249-L306 HydrophobicContact CG-CD2 4.2Å; I250-L306 WeakPolarHBondContact CA-O 3.29Å; A251-L306 PolarHBondContact N-O 3.35Å; A251-L306 VanDerWaalsContact N-O 3.11Å; A251-L306 PolarHBondContact O-N 2.7Å; L253-L306 HydrophobicContact CD1-CB 4.15Å; L253-L306 HydrophobicContact CD2-CB 3.99Å; L253-L306 HydrophobicContact CG-CB 3.96Å; L306-R308 HydrophobicContact CD1-CG 4.05Å; L306-R308 HydrophobicContact CD2-CG 4.39Å; L306-R308 HydrophobicContact CG-CG 4.13Å
307	I	95.7	Very high	83.4	Confident	16 Å²	16	72.8 Å²	72.8	8%	0.082	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	99.7	176	-58.1	165.4	0	0	0	107.2	I233 A236 L237 V247 Q249 A282 A284 M309	I233-I307 HydrophobicContact CG2-CD1 3.98Å; I233-I307 HydrophobicContact CG2-CG1 3.98Å; A236-I307 HydrophobicContact CB-CD1 4.45Å; L237-I307 HydrophobicContact CD1-CD1 4.49Å; L237-I307 HydrophobicContact CD2-CD1 3.94Å; L237-I307 HydrophobicContact CD2-CG2 3.79Å; L237-I307 HydrophobicContact CG-CD1 3.88Å; V247-I307 HydrophobicContact CG1-CG2 4.48Å; V247-I307 HydrophobicContact CG2-CG2 4.41Å; Q249-I307 WeakPolarHBondContact O-CA 3.5Å; A282-I307 CarbonylContact C-O 3.59Å; A282-I307 WeakPolarHBondContact CA-O 3.41Å; A282-I307 VanDerWaalsContact CB-O 3.26Å; A282-I307 WeakPolarHBondContact CB-O 3.03Å; A282-I307 CarbonylContact O-C 3.48Å; A282-I307 PolarHBondContact O-N 3.34Å; A284-I307 HydrophobicContact CB-CD1 3.75Å; I307-M309 HydrophobicContact CG2-SD 4.49Å
308	R	95.1	Very high	82.6	Confident	128 Å²	128	75.6 Å²	75.6	48%	0.483	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	139.3	176.6	-65.1	-172.5	173.6	174.4	-5.8	110.8	V247 S248 Q249 A282 L306	V247-R308 CarbonylContact C-O 3.5Å; V247-R308 WeakPolarHBondContact CA-O 3.41Å; S248-R308 PolarHBondContact N-O 2.75Å; S248-R308 WeakPolarHBondContact OG-CB 3.45Å; S248-R308 PolarHBondContact OG-O 2.74Å; Q249-R308 HydrophobicContact CB-CB 3.98Å; Q249-R308 HydrophobicContact CB-CG 4.34Å; Q249-R308 PolarHBondContact N-O 3.32Å; Q249-R308 PolarHBondContact O-N 3.27Å; A282-R308 HydrophobicContact CB-CG 4.27Å; L306-R308 HydrophobicContact CD1-CG 4.05Å; L306-R308 HydrophobicContact CD2-CG 4.39Å; L306-R308 HydrophobicContact CG-CG 4.13Å
309	M	93.7	Very high	81.8	Confident	70 Å²	70	79.7 Å²	79.7	35%	0.345	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	155.6	172.2	-54	-49.4	-62.6	0	0	110.1	L243 N246 V247 S248 I307 T311	L243-M309 HydrophobicContact CB-CE 3.69Å; L243-M309 HydrophobicContact CD1-CE 4.37Å; L243-M309 HydrophobicContact CG-CE 4.45Å; L243-M309 WeakPolarHBondContact O-CE 3.33Å; N246-M309 HydrophobicContact CB-CE 3.47Å; N246-M309 VanDerWaalsContact CB-CE 3.47Å; N246-M309 CarbonylContact O-C 3.4Å; N246-M309 VanDerWaalsContact O-CA 3.25Å; N246-M309 WeakPolarHBondContact O-CA 3.42Å; N246-M309 WeakPolarHBondContact O-CE 3.44Å; V247-M309 HydrophobicContact CG2-CE 4.28Å; V247-M309 HydrophobicContact CG2-SD 4.09Å; S248-M309 PolarHBondContact OG-O 3.33Å; I307-M309 HydrophobicContact CG2-SD 4.49Å; M309-T311 PolarHBondContact O-N 2.85Å
310	V	90.9	Very high	80.8	Confident	76 Å²	76	84.4 Å²	84.4	46%	0.461	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-64.1	118.8	162.3	178.1	0	0	0	0	107.4	N246	N246-V310 PolarHBondContact O-N 3.17Å
311	T	78.2	Confident	79.7	Confident	103 Å²	103	87.4 Å²	87.4	63%	0.632	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-82.3	116.9	170.9	49.5	0	0	0	0	108.4	M309 S313	M309-T311 PolarHBondContact O-N 2.85Å; T311-S313 PolarHBondContact O-N 2.62Å
312	N	60.9	Low	78.4	Confident	124 Å²	124	93.2 Å²	93.2	66%	0.663	45%	0.452	S	S	*	.			trans	-67.6	21.3	174.3	-88.1	-11.9	0	0	0	114.2	W314 R315	N312-W314 PolarHBondContact O-N 2.7Å; N312-R315 PolarHBondContact O-N 3.3Å; N312-R315 VanDerWaalsContact O-N 3.16Å
313	S	51.4	Low	77	Confident	86 Å²	86	97.7 Å²	97.7	60%	0.601	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	17	-177.5	61	0	0	0	0	115	T311	T311-S313 PolarHBondContact O-N 2.62Å
314	W	44.2	Very low	75.3	Confident	240 Å²	240	105.2 Å²	105.2	91%	0.909	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	22.3	168.1	-64.9	105.4	0	0	0	113.1	N312	N312-W314 PolarHBondContact O-N 2.7Å
315	R	37	Very low	73.3	Confident	213 Å²	213	110.4 Å²	110.4	80%	0.804	53%	0.532	S	S	*	.			trans	-112.8	64.1	160.3	-71.3	-170.2	-178.4	-179.4	2.2	110.2	N312	N312-R315 PolarHBondContact O-N 3.3Å; N312-R315 VanDerWaalsContact O-N 3.16Å
316	L	38.2	Very low	71.1	Confident	246 Å²	246	120.5 Å²	120.5	100%	1.288	58%	0.581	S	S	*	*			trans	-136.3	0	152.7	-77.3	176.9	0	0	0	107.4

Retrieved 316 of 316 residues in 254.4 ms (Link to these results)

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