G4VCG3_SCHMA Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 3

AlphaFold DB , UniProt , Accession G4VCG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 239 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	41.1	Very low	54.4	Low	201 Å²	201	93.5 Å²	93.5	99%	0.99	45%	0.449	S	S	*	.				0	-21	0	-89.7	177.9	170.3	0	0	114.8	S4	M1-S4 PolarHBondContact O-OG 3.29Å
2	N	42.2	Very low	54.8	Low	134 Å²	134	99.8 Å²	99.8	72%	0.717	47%	0.473	S	S	*	.	H	α-helix	trans	-77.6	-30.2	-175.1	-71.2	-11.6	0	0	0	115.2	S4 R5 S6	N2-S4 PolarHBondContact O-N 3.48Å; N2-R5 PolarHBondContact O-N 3.34Å; N2-S6 PolarHBondContact O-N 2.86Å
3	Q	45.9	Very low	55.4	Low	118 Å²	118	108.5 Å²	108.5	55%	0.551	50%	0.501	S	S	*	.	H	α-helix	trans	-58.4	-45.2	-177.8	-77.7	-177.3	-9.6	0	0	113.4	R5 S6 V7	Q3-R5 VanDerWaalsContact C-N 3.29Å; Q3-R5 PolarHBondContact O-N 3.29Å; Q3-S6 PolarHBondContact O-N 2.97Å; Q3-V7 PolarHBondContact O-N 2.8Å
4	S	52.3	Low	56.4	Low	22 Å²	22	102 Å²	102	15%	0.154	47%	0.474	C	S	.	.	H	α-helix	trans	-66.8	-30.4	-178.7	28.8	0	0	0	0	112.6	M1 N2 L8	M1-S4 PolarHBondContact O-OG 3.29Å; N2-S4 PolarHBondContact O-N 3.48Å; S4-L8 WeakPolarHBondContact O-CB 3.38Å; S4-L8 VanDerWaalsContact O-CD1 3.26Å; S4-L8 WeakPolarHBondContact O-CD1 3.25Å; S4-L8 WeakPolarHBondContact O-CG 3.49Å; S4-L8 PolarHBondContact O-N 2.97Å
5	R	52.5	Low	57.7	Low	189 Å²	189	98.9 Å²	98.9	71%	0.713	47%	0.468	S	S	*	.	H	α-helix	trans	-72.8	-37.3	179.9	-74.3	-173.8	170.5	-174	-1.7	113.2	N2 Q3 K9	N2-R5 PolarHBondContact O-N 3.34Å; Q3-R5 VanDerWaalsContact C-N 3.29Å; Q3-R5 PolarHBondContact O-N 3.29Å; R5-K9 PolarHBondContact O-N 2.93Å; R5-K9 VanDerWaalsContact O-N 3.11Å
6	S	56	Low	58.7	Low	57 Å²	57	92.9 Å²	92.9	40%	0.399	44%	0.44	S	S	.	.	H	α-helix	trans	-65.5	-49.4	179.3	-167.9	0	0	0	0	110.7	N2 Q3 L8 K9 Q10	N2-S6 PolarHBondContact O-N 2.86Å; Q3-S6 PolarHBondContact O-N 2.97Å; S6-L8 PolarHBondContact O-N 3.45Å; S6-K9 PolarHBondContact O-N 2.98Å; S6-Q10 PolarHBondContact O-N 3.42Å
7	V	58.8	Low	59.3	Low	4 Å²	4	89.2 Å²	89.2	2%	0.024	43%	0.425	C	S	.	.	H	α-helix	trans	-66.7	-39.5	179.4	-169.3	0	0	0	0	111.1	Q3 K9 Q10 L11 F79 L102	Q3-V7 PolarHBondContact O-N 2.8Å; V7-K9 VanDerWaalsContact C-N 3.3Å; V7-K9 PolarHBondContact O-N 3.06Å; V7-Q10 PolarHBondContact O-N 3.32Å; V7-Q10 VanDerWaalsContact O-N 3.17Å; V7-L11 HydrophobicContact CG1-CD1 3.85Å; V7-L11 HydrophobicContact CG1-CG 4.04Å; V7-L11 VanDerWaalsContact O-CB 3.29Å; V7-L11 WeakPolarHBondContact O-CB 3.45Å; V7-L11 WeakPolarHBondContact O-CD1 3.35Å; V7-L11 WeakPolarHBondContact O-CG 3.19Å; V7-L11 PolarHBondContact O-N 2.94Å; V7-F79 HydrophobicContact CB-CE1 4.37Å; V7-F79 HydrophobicContact CB-CZ 3.97Å; V7-F79 HydrophobicContact CG1-CE1 4.36Å; V7-F79 HydrophobicContact CG1-CE2 4.15Å; V7-F79 HydrophobicContact CG1-CZ 3.5Å; V7-F79 VanDerWaalsContact CG1-CZ 3.5Å; V7-L102 HydrophobicContact CG1-CD2 3.62Å; V7-L102 HydrophobicContact CG2-CD2 4.07Å
8	L	60.4	Low	59.8	Low	51 Å²	51	91 Å²	91	27%	0.267	43%	0.427	S	S	.	.	H	α-helix	trans	-58.4	-37.7	174.2	-86.9	163.7	0	0	0	113.5	S4 S6 L20 I22	S4-L8 WeakPolarHBondContact O-CB 3.38Å; S4-L8 VanDerWaalsContact O-CD1 3.26Å; S4-L8 WeakPolarHBondContact O-CD1 3.25Å; S4-L8 WeakPolarHBondContact O-CG 3.49Å; S4-L8 PolarHBondContact O-N 2.97Å; S6-L8 PolarHBondContact O-N 3.45Å; L8-L20 HydrophobicContact CD2-CD1 4.46Å; L8-L20 HydrophobicContact CD2-CD2 3.62Å; L8-I22 HydrophobicContact CD2-CD1 3.97Å; L8-I22 HydrophobicContact CD2-CG1 4.35Å
9	K	59.8	Low	59.9	Low	167 Å²	167	95.6 Å²	95.6	73%	0.726	44%	0.441	S	S	*	.	H	α-helix	trans	-67.4	-42.6	175.7	-89.1	-172.8	175.6	-175.8	0	111.6	R5 S6 V7	R5-K9 PolarHBondContact O-N 2.93Å; R5-K9 VanDerWaalsContact O-N 3.11Å; S6-K9 PolarHBondContact O-N 2.98Å; V7-K9 VanDerWaalsContact C-N 3.3Å; V7-K9 PolarHBondContact O-N 3.06Å
10	Q	64.9	Low	60	Low	80 Å²	80	94.1 Å²	94.1	37%	0.374	44%	0.436	S	S	.	.	H	α-helix	trans	-72	-33.8	179.5	-67	-159	-8.3	0	0	112.8	S6 V7 K12 Y13 I101	S6-Q10 PolarHBondContact O-N 3.42Å; V7-Q10 PolarHBondContact O-N 3.32Å; V7-Q10 VanDerWaalsContact O-N 3.17Å; Q10-K12 VanDerWaalsContact C-N 3.28Å; Q10-K12 PolarHBondContact O-N 2.67Å; Q10-Y13 PolarHBondContact O-N 3.03Å; Q10-I101 HydrophobicContact CB-CD1 4.21Å; Q10-I101 PolarHBondContact OE1-O 3.21Å; Q10-I101 VanDerWaalsContact OE1-O 3.09Å
11	L	64.5	Low	60	Low	5 Å²	5	90.5 Å²	90.5	3%	0.026	42%	0.423	C	S	.	.	H	α-helix	trans	-58.8	-34.6	178.2	-83.5	165.6	0	0	0	113.7	V7 Y13 V17 L20 F79 F81 L98	V7-L11 HydrophobicContact CG1-CD1 3.85Å; V7-L11 HydrophobicContact CG1-CG 4.04Å; V7-L11 VanDerWaalsContact O-CB 3.29Å; V7-L11 WeakPolarHBondContact O-CB 3.45Å; V7-L11 WeakPolarHBondContact O-CD1 3.35Å; V7-L11 WeakPolarHBondContact O-CG 3.19Å; V7-L11 PolarHBondContact O-N 2.94Å; L11-Y13 PolarHBondContact O-N 3.27Å; L11-Y13 VanDerWaalsContact O-N 3.16Å; L11-V17 HydrophobicContact CD2-CG2 3.72Å; L11-L20 HydrophobicContact CD1-CD1 3.95Å; L11-F79 HydrophobicContact CD1-CD2 4.08Å; L11-F79 HydrophobicContact CD1-CE2 3.61Å; L11-F79 HydrophobicContact CD1-CZ 4.14Å; L11-F81 HydrophobicContact CD2-CD1 3.66Å; L11-F81 HydrophobicContact CD2-CE1 3.45Å; L11-F81 VanDerWaalsContact CD2-CE1 3.45Å; L11-F81 HydrophobicContact CD2-CG 4.42Å; L11-F81 HydrophobicContact CD2-CZ 4.1Å; L11-L98 HydrophobicContact CD2-CD1 3.81Å; L11-L98 HydrophobicContact CD2-CD2 3.4Å; L11-L98 VanDerWaalsContact CD2-CD2 3.4Å; L11-L98 HydrophobicContact CD2-CG 4.25Å; L11-L98 HydrophobicContact CG-CD1 4.17Å; L11-L98 HydrophobicContact CG-CD2 4.47Å
12	K	59.7	Low	60.9	Low	170 Å²	170	85.1 Å²	85.1	74%	0.739	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.4	-178.2	-91.7	-171.3	175.2	-173.9	0	114.1	Q10	Q10-K12 VanDerWaalsContact C-N 3.28Å; Q10-K12 PolarHBondContact O-N 2.67Å
13	Y	62.4	Low	61.3	Low	213 Å²	213	79 Å²	79	84%	0.835	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-1.1	-173.4	-62.7	-78.9	0	0	0	114	Q10 L11	Q10-Y13 PolarHBondContact O-N 3.03Å; L11-Y13 PolarHBondContact O-N 3.27Å; L11-Y13 VanDerWaalsContact O-N 3.16Å
14	S	68.6	Low	61.3	Low	17 Å²	17	79 Å²	79	12%	0.119	37%	0.369	C	S	.	.			trans	-81.3	128.1	-179.5	-176.5	0	0	0	0	111.5	C16 V17	S14-C16 PolarHBondContact O-N 3.15Å; S14-C16 VanDerWaalsContact O-N 3.13Å; S14-C16 PolarHBondContact OG-SG 3.02Å; S14-V17 PolarHBondContact O-N 3.49Å
15	S	76	Confident	60.9	Low	56 Å²	56	79.9 Å²	79.9	39%	0.392	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.2	-178.3	66.1	0	0	0	0	113.5	K84 E94	S15-K84 WeakPolarHBondContact O-CD 3.44Å; S15-E94 WeakPolarHBondContact CB-OE1 3.32Å; S15-E94 WeakPolarHBondContact OG-CG 3.49Å; S15-E94 PolarHBondContact OG-OE1 3.44Å
16	C	74.1	Confident	60.4	Low	3 Å²	3	76.7 Å²	76.7	2%	0.02	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.1	179.6	75.8	0	0	0	0	113.9	S14 K84 S95 L98	S14-C16 PolarHBondContact O-N 3.15Å; S14-C16 VanDerWaalsContact O-N 3.13Å; S14-C16 PolarHBondContact OG-SG 3.02Å; C16-K84 WeakPolarHBondContact O-CB 3.24Å; C16-K84 PolarHBondContact O-N 3.47Å; C16-S95 WeakPolarHBondContact CB-O 3.42Å; C16-L98 VanDerWaalsContact SG-CB 3.56Å
17	V	69.7	Low	59.7	Low	29 Å²	29	80 Å²	80	18%	0.176	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119	-179.6	-175.4	0	0	0	0	109.4	L11 S14 F81 L98	L11-V17 HydrophobicContact CD2-CG2 3.72Å; S14-V17 PolarHBondContact O-N 3.49Å; V17-F81 HydrophobicContact CB-CD2 4.24Å; V17-F81 HydrophobicContact CB-CE2 4.43Å; V17-F81 HydrophobicContact CG1-CB 4.19Å; V17-F81 HydrophobicContact CG1-CD2 3.85Å; V17-F81 HydrophobicContact CG1-CE2 4.5Å; V17-F81 HydrophobicContact CG1-CG 4.11Å; V17-F81 HydrophobicContact CG2-CD2 3.9Å; V17-F81 HydrophobicContact CG2-CE2 3.72Å; V17-F81 HydrophobicContact CG2-CG 4.45Å; V17-F81 HydrophobicContact CG2-CZ 4.11Å; V17-L98 HydrophobicContact CG2-CD2 4.43Å
18	R	66.9	Low	58.7	Low	122 Å²	122	82.6 Å²	82.6	46%	0.46	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-50	173.3	-98.8	-169.5	-76.1	-164.4	-5.8	112.5	S82 K84 M85	R18-S82 PolarHBondContact N-O 2.76Å; R18-K84 HydrophobicContact CG-CB 4.07Å; R18-K84 HydrophobicContact CG-CD 4.35Å; R18-K84 HydrophobicContact CG-CG 3.99Å; R18-M85 PolarHBondContact NH2-O 3.49Å; R18-M85 VanDerWaalsContact NH2-O 3.14Å
19	Y	63.1	Low	57.2	Low	178 Å²	178	87.8 Å²	87.8	70%	0.698	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.8	131.4	-178.4	-61.9	-79.2	0	0	0	109.5	F81 S82	Y19-F81 CarbonylContact O-C 3.55Å; Y19-F81 WeakPolarHBondContact O-CA 3.41Å; Y19-F81 VanDerWaalsContact O-CB 3.3Å; Y19-F81 WeakPolarHBondContact O-CB 3.43Å; Y19-S82 PolarHBondContact O-N 3.33Å
20	L	62.2	Low	56	Low	65 Å²	65	88.5 Å²	88.5	34%	0.34	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.6	179.2	-179.4	67.4	0	0	0	110.5	L8 L11 I22 F81	L8-L20 HydrophobicContact CD2-CD1 4.46Å; L8-L20 HydrophobicContact CD2-CD2 3.62Å; L11-L20 HydrophobicContact CD1-CD1 3.95Å; L20-I22 HydrophobicContact CD1-CG1 4.43Å; L20-I22 HydrophobicContact CD2-CD1 3.71Å; L20-I22 HydrophobicContact CD2-CG1 3.65Å; L20-I22 HydrophobicContact CG-CD1 4.31Å; L20-I22 HydrophobicContact CG-CG1 3.68Å; L20-F81 HydrophobicContact CD1-CB 4.14Å
21	A	59.3	Low	54.3	Low	20 Å²	20	93.7 Å²	93.7	17%	0.165	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	91.6	175.1	0	0	0	0	0	109.8	G23 V67 V69 A80	A21-G23 PolarHBondContact O-N 3.25Å; A21-G23 VanDerWaalsContact O-N 3.15Å; A21-V67 HydrophobicContact CB-CG1 4.26Å; A21-V69 HydrophobicContact CB-CG2 4.06Å; A21-A80 CarbonylContact C-O 3.43Å; A21-A80 WeakPolarHBondContact CA-O 3.39Å; A21-A80 WeakPolarHBondContact CB-O 3.43Å; A21-A80 PolarHBondContact N-O 3.49Å; A21-A80 CarbonylContact O-C 3.57Å; A21-A80 PolarHBondContact O-N 3Å
22	I	59.1	Low	53	Low	88 Å²	88	98.5 Å²	98.5	45%	0.451	49%	0.49	S	S	.	.			trans	-79.6	104.4	-178.7	-49.6	180	0	0	0	109.2	L8 L20 L24	L8-I22 HydrophobicContact CD2-CD1 3.97Å; L8-I22 HydrophobicContact CD2-CG1 4.35Å; L20-I22 HydrophobicContact CD1-CG1 4.43Å; L20-I22 HydrophobicContact CD2-CD1 3.71Å; L20-I22 HydrophobicContact CD2-CG1 3.65Å; L20-I22 HydrophobicContact CG-CD1 4.31Å; L20-I22 HydrophobicContact CG-CG1 3.68Å; I22-L24 HydrophobicContact CG2-CD2 4.33Å; I22-L24 HydrophobicContact CG2-CG 3.94Å; I22-L24 PolarHBondContact O-N 3.5Å
23	G	50.9	Low	51.4	Low	6 Å²	6	96.6 Å²	96.6	6%	0.062	49%	0.493	C	S	.	.			trans	-92.6	85.8	168.6	0	0	0	0	0	110.8	A21 S25	A21-G23 PolarHBondContact O-N 3.25Å; A21-G23 VanDerWaalsContact O-N 3.15Å; G23-S25 VanDerWaalsContact C-N 3.26Å; G23-S25 PolarHBondContact O-N 3.06Å
24	L	46.3	Very low	50.3	Low	118 Å²	118	91.9 Å²	91.9	62%	0.618	48%	0.478	S	S	*	.			trans	-77	85.8	163.8	-65.9	176.7	0	0	0	107.6	I22 D26	I22-L24 HydrophobicContact CG2-CD2 4.33Å; I22-L24 HydrophobicContact CG2-CG 3.94Å; I22-L24 PolarHBondContact O-N 3.5Å; L24-D26 VanDerWaalsContact C-N 3.33Å; L24-D26 PolarHBondContact O-N 2.87Å; L24-D26 VanDerWaalsContact O-N 3.14Å
25	S	44.1	Very low	48.5	Very low	39 Å²	39	100.7 Å²	100.7	27%	0.273	52%	0.515	S	S	.	.			trans	-76.5	94.4	163.2	-177.1	0	0	0	0	107.2	G23	G23-S25 VanDerWaalsContact C-N 3.26Å; G23-S25 PolarHBondContact O-N 3.06Å
26	D	42.5	Very low	46.7	Very low	122 Å²	122	99.9 Å²	99.9	65%	0.652	51%	0.509	S	S	*	.			trans	-84.4	145.6	154.7	-67.3	-23.8	0	0	0	106.7	L24 G28	L24-D26 VanDerWaalsContact C-N 3.33Å; L24-D26 PolarHBondContact O-N 2.87Å; L24-D26 VanDerWaalsContact O-N 3.14Å; D26-G28 PolarHBondContact O-N 3.34Å
27	N	40.4	Very low	44.9	Very low	126 Å²	126	106.9 Å²	106.9	67%	0.674	55%	0.552	S	S	*	*	S	Bend	trans	-61.8	53	-168.3	-59.9	-12.7	0	0	0	115.5	N29	N27-N29 PolarHBondContact O-N 3.01Å
28	G	37	Very low	43.4	Very low	60 Å²	60	107.2 Å²	107.2	62%	0.619	56%	0.56	S	S	*	*			trans	-76.5	117.5	164.4	0	0	0	0	0	108.2	D26 F30	D26-G28 PolarHBondContact O-N 3.34Å; G28-F30 VanDerWaalsContact C-N 3.26Å; G28-F30 PolarHBondContact O-N 3.23Å
29	N	29.9	Very low	42.3	Very low	160 Å²	160	102.9 Å²	102.9	86%	0.856	55%	0.551	S	S	*	*			trans	-52.9	92.2	167.8	-72.1	-11.3	0	0	0	109.1	N27	N27-N29 PolarHBondContact O-N 3.01Å
30	F	34.4	Very low	41.3	Very low	182 Å²	182	102.1 Å²	102.1	80%	0.798	56%	0.559	S	S	*	*			trans	-103.8	96	166.8	-146.4	-92.2	0	0	0	105.7	G28 F32	G28-F30 VanDerWaalsContact C-N 3.26Å; G28-F30 PolarHBondContact O-N 3.23Å; F30-F32 PolarHBondContact O-N 2.72Å
31	E	28.6	Very low	40.7	Very low	188 Å²	188	100.5 Å²	100.5	88%	0.879	55%	0.552	S	S	*	*			trans	-62.2	104.5	172.3	-85	-175.5	153	0	0	108.4
32	F	36.9	Very low	40.5	Very low	107 Å²	107	108.4 Å²	108.4	47%	0.469	59%	0.585	S	S	.	*			trans	-86.6	111.3	171.9	-158.2	-90.3	0	0	0	107.8	F30 Q34 T54	F30-F32 PolarHBondContact O-N 2.72Å; F32-Q34 VanDerWaalsContact C-N 3.34Å; F32-Q34 PolarHBondContact O-N 2.75Å; F32-T54 HydrophobicContact CD1-CG2 4.04Å; F32-T54 HydrophobicContact CE1-CG2 3.46Å; F32-T54 VanDerWaalsContact CE1-CG2 3.46Å; F32-T54 HydrophobicContact CE2-CG2 4.41Å; F32-T54 HydrophobicContact CZ-CG2 3.68Å
33	T	28	Very low	40.5	Very low	130 Å²	130	111.9 Å²	111.9	80%	0.798	60%	0.601	S	S	*	*			trans	-69.8	98.1	167.2	-44.1	0	0	0	0	107.6	K35	T33-K35 PolarHBondContact O-N 3.2Å; T33-K35 VanDerWaalsContact O-N 3.13Å
34	Q	38.3	Very low	41.2	Very low	113 Å²	113	112.7 Å²	112.7	53%	0.528	61%	0.605	S	S	.	*			trans	-58.7	113.9	-178.3	-167.1	171.5	-37.6	0	0	109.9	F32 V41	F32-Q34 VanDerWaalsContact C-N 3.34Å; F32-Q34 PolarHBondContact O-N 2.75Å; Q34-V41 PolarHBondContact NE2-O 3.2Å
35	K	31.4	Very low	42.5	Very low	202 Å²	202	111.6 Å²	111.6	88%	0.878	60%	0.6	S	S	*	*			trans	-139.8	56.1	171.9	-134	-177.3	-169.5	-177.9	0	108.8	T33	T33-K35 PolarHBondContact O-N 3.2Å; T33-K35 VanDerWaalsContact O-N 3.13Å
36	S	36.9	Very low	44	Very low	39 Å²	39	113.2 Å²	113.2	27%	0.273	60%	0.601	S	S	.	*			trans	-109.6	116.5	172.4	34.7	0	0	0	0	109.8	T54	S36-T54 WeakPolarHBondContact CB-O 3.44Å; S36-T54 PolarHBondContact OG-O 3.23Å
37	V	37.4	Very low	45.5	Very low	151 Å²	151	114.3 Å²	114.3	92%	0.915	61%	0.606	S	S	*	*	S	Bend	trans	-69.3	126.8	166.4	175.6	0	0	0	0	107.3
38	G	38.8	Very low	47.2	Very low	35 Å²	35	109.2 Å²	109.2	36%	0.361	58%	0.58	S	S	.	*	S	Bend	trans	101.2	27.9	159	0	0	0	0	0	117.3	H142	G38-H142 PolarHBondContact O-CE1 2.82Å; G38-H142 PolarHBondContact O-ND1 2.92Å
39	A	42.4	Very low	49.3	Very low	32 Å²	32	108.8 Å²	108.8	26%	0.264	57%	0.566	S	S	.	*			trans	-143.9	129	148	0	0	0	0	0	109.5	V41	A39-V41 VanDerWaalsContact C-N 3.27Å; A39-V41 HydrophobicContact CB-CG2 3.46Å; A39-V41 VanDerWaalsContact CB-CG2 3.46Å; A39-V41 WeakPolarHBondContact O-CB 3.43Å; A39-V41 WeakPolarHBondContact O-CG2 3.47Å; A39-V41 PolarHBondContact O-N 3.1Å
40	D	41.6	Very low	52	Low	162 Å²	162	101.4 Å²	101.4	87%	0.866	53%	0.528	S	S	*	.			trans	-67.8	91.5	175.7	-158.2	6.4	0	0	0	107.9
41	V	50.3	Low	54.7	Low	31 Å²	31	92.8 Å²	92.8	19%	0.188	49%	0.49	C	S	.	.			trans	-117.1	57.3	-163.9	174	0	0	0	0	107.7	Q34 A39 Y46	Q34-V41 PolarHBondContact NE2-O 3.2Å; A39-V41 VanDerWaalsContact C-N 3.27Å; A39-V41 HydrophobicContact CB-CG2 3.46Å; A39-V41 VanDerWaalsContact CB-CG2 3.46Å; A39-V41 WeakPolarHBondContact O-CB 3.43Å; A39-V41 WeakPolarHBondContact O-CG2 3.47Å; A39-V41 PolarHBondContact O-N 3.1Å; V41-Y46 HydrophobicContact CG1-CD2 4.4Å; V41-Y46 HydrophobicContact CG1-CE2 3.22Å; V41-Y46 VanDerWaalsContact CG1-CZ 3.46Å; V41-Y46 WeakPolarHBondContact CG1-OH 3.31Å
42	E	54.3	Low	57.8	Low	186 Å²	186	84 Å²	84	87%	0.869	45%	0.449	S	S	*	.	S	Bend	trans	-109.8	-16.2	171.9	-142.9	176.3	-166.2	0	0	112.6
43	M	60.1	Low	60.5	Low	160 Å²	160	79 Å²	79	79%	0.788	43%	0.427	S	S	*	.	S	Bend	trans	-92.6	-13.3	-175.3	-160.1	-179.2	-69	0	0	115.1
44	V	65.5	Low	63.6	Low	23 Å²	23	74.4 Å²	74.4	14%	0.139	40%	0.399	C	S	.	.			trans	-94	125.2	-171.7	179.2	0	0	0	0	111.1	Y46 N149 F150	V44-Y46 HydrophobicContact CB-CD2 4.24Å; V44-Y46 HydrophobicContact CB-CE1 4.16Å; V44-Y46 HydrophobicContact CB-CE2 3.52Å; V44-Y46 VanDerWaalsContact CB-CZ 3.48Å; V44-Y46 HydrophobicContact CG1-CD1 4Å; V44-Y46 HydrophobicContact CG1-CD2 4.23Å; V44-Y46 HydrophobicContact CG1-CE1 3.55Å; V44-Y46 HydrophobicContact CG1-CE2 3.78Å; V44-Y46 HydrophobicContact CG1-CG 4.32Å; V44-Y46 VanDerWaalsContact CG1-CZ 3.43Å; V44-Y46 WeakPolarHBondContact O-CD2 3.41Å; V44-Y46 WeakPolarHBondContact O-CE2 3.36Å; V44-Y46 PolarHBondContact O-N 3.29Å; V44-N149 HydrophobicContact CG1-CB 4.35Å; V44-F150 HydrophobicContact CG2-CB 4.26Å
45	N	73.9	Confident	66.1	Low	96 Å²	96	70.4 Å²	70.4	51%	0.513	39%	0.385	S	S	.	.			trans	-80.1	86.6	175.6	-177	4	0	0	0	111.7	N47 T48	N45-N47 PolarHBondContact O-N 2.85Å; N45-N47 WeakPolarHBondContact OD1-CB 3.26Å; N45-N47 PolarHBondContact OD1-N 2.93Å; N45-N47 VanDerWaalsContact OD1-N 3.1Å; N45-T48 VanDerWaalsContact O-CB 3.31Å; N45-T48 WeakPolarHBondContact O-CB 3.11Å; N45-T48 PolarHBondContact O-N 3.47Å; N45-T48 PolarHBondContact O-OG1 3.23Å
46	Y	75.7	Confident	69.1	Low	73 Å²	73	62.3 Å²	62.3	29%	0.286	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-5.3	177.1	-62.9	-74	0	0	0	115	V41 V44 T48 Y52 N149	V41-Y46 HydrophobicContact CG1-CD2 4.4Å; V41-Y46 HydrophobicContact CG1-CE2 3.22Å; V41-Y46 VanDerWaalsContact CG1-CZ 3.46Å; V41-Y46 WeakPolarHBondContact CG1-OH 3.31Å; V44-Y46 HydrophobicContact CB-CD2 4.24Å; V44-Y46 HydrophobicContact CB-CE1 4.16Å; V44-Y46 HydrophobicContact CB-CE2 3.52Å; V44-Y46 VanDerWaalsContact CB-CZ 3.48Å; V44-Y46 HydrophobicContact CG1-CD1 4Å; V44-Y46 HydrophobicContact CG1-CD2 4.23Å; V44-Y46 HydrophobicContact CG1-CE1 3.55Å; V44-Y46 HydrophobicContact CG1-CE2 3.78Å; V44-Y46 HydrophobicContact CG1-CG 4.32Å; V44-Y46 VanDerWaalsContact CG1-CZ 3.43Å; V44-Y46 WeakPolarHBondContact O-CD2 3.41Å; V44-Y46 WeakPolarHBondContact O-CE2 3.36Å; V44-Y46 PolarHBondContact O-N 3.29Å; Y46-T48 PolarHBondContact O-N 3.1Å; Y46-Y52 AromaticContact CD1-CD1 3.95Å; Y46-Y52 HydrophobicContact CD1-CD1 3.95Å; Y46-Y52 AromaticContact CD1-CD2 3.85Å; Y46-Y52 HydrophobicContact CD1-CD2 3.85Å; Y46-Y52 HydrophobicContact CD1-CE1 4.42Å; Y46-Y52 HydrophobicContact CD1-CE2 4.33Å; Y46-Y52 AromaticContact CD1-CG 3.64Å; Y46-Y52 HydrophobicContact CD1-CG 3.64Å; Y46-Y52 AromaticContact CE1-CD1 3.93Å; Y46-Y52 HydrophobicContact CE1-CD1 3.93Å; Y46-Y52 AromaticContact CE1-CG 3.85Å; Y46-Y52 HydrophobicContact CE1-CG 3.85Å; Y46-N149 HydrophobicContact CE1-CB 4.36Å; Y46-N149 PolarHBondContact OH-ND2 2.84Å
47	N	74.1	Confident	71.7	Confident	144 Å²	144	63.5 Å²	63.5	77%	0.77	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-7.7	174.1	-137.6	13.3	0	0	0	112.1	N45	N45-N47 PolarHBondContact O-N 2.85Å; N45-N47 WeakPolarHBondContact OD1-CB 3.26Å; N45-N47 PolarHBondContact OD1-N 2.93Å; N45-N47 VanDerWaalsContact OD1-N 3.1Å
48	T	75	Confident	74.4	Confident	20 Å²	20	59.2 Å²	59.2	12%	0.123	33%	0.328	C	S	.	.	S	Bend	trans	-80.9	121.6	177.5	-56.8	0	0	0	0	110	N45 Y46 G50 Y52 R155	N45-T48 VanDerWaalsContact O-CB 3.31Å; N45-T48 WeakPolarHBondContact O-CB 3.11Å; N45-T48 PolarHBondContact O-N 3.47Å; N45-T48 PolarHBondContact O-OG1 3.23Å; Y46-T48 PolarHBondContact O-N 3.1Å; T48-G50 PolarHBondContact O-N 3.2Å; T48-Y52 WeakPolarHBondContact CB-OH 3.47Å; T48-Y52 VanDerWaalsContact O-CE2 3.26Å; T48-Y52 WeakPolarHBondContact O-CE2 3.19Å; T48-Y52 PolarHBondContact O-OH 3.07Å; T48-R155 VanDerWaalsContact CG2-NH2 3.26Å
49	P	82.3	Confident	77	Confident	50 Å²	50	63 Å²	63	33%	0.325	34%	0.34	S	S	.	.	S	Bend	trans	-58.2	125.4	-179.4	14.4	-29.1	0	0	0	111.9	R155	P49-R155 VanDerWaalsContact CG-NH2 3.27Å; P49-R155 PolarHBondContact O-NH1 3.09Å
50	G	87	Confident	79.4	Confident	5 Å²	5	61.6 Å²	61.6	5%	0.052	33%	0.328	C	S	.	.	S	Bend	trans	174	174	-176.2	0	0	0	0	0	111.7	T48 N64 P77	T48-G50 PolarHBondContact O-N 3.2Å; G50-N64 PolarHBondContact O-ND2 3.34Å; G50-P77 CarbonylContact C-O 3.56Å; G50-P77 VanDerWaalsContact CA-O 3.23Å; G50-P77 WeakPolarHBondContact CA-O 3.17Å
51	M	89.8	Confident	81.9	Confident	2 Å²	2	54 Å²	54	1%	0.01	29%	0.287	C	S	.	.			trans	-93.1	128.6	170.6	-77.7	-56.8	-49.4	0	0	110.7	L63 T65 P77 F79 F148 N152	M51-L63 HydrophobicContact CE-CB 3.53Å; M51-L63 HydrophobicContact CE-CD1 3.49Å; M51-L63 VanDerWaalsContact CE-CD1 3.49Å; M51-L63 HydrophobicContact CE-CD2 3.83Å; M51-L63 HydrophobicContact CE-CG 3.78Å; M51-T65 HydrophobicContact CE-CG2 4.29Å; M51-T65 HydrophobicContact SD-CG2 3.75Å; M51-P77 PolarHBondContact N-O 3.34Å; M51-F79 VanDerWaalsContact CG-N 3.31Å; M51-F148 WeakPolarHBondContact O-CE1 3.31Å; M51-N152 PolarHBondContact O-ND2 2.82Å
52	Y	93.3	Very high	83.9	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.008	29%	0.289	C	S	.	.			trans	-131.8	148.6	177.5	-53.9	-79.8	0	0	0	110.7	Y46 T48 L63 N64 N149 N152	Y46-Y52 AromaticContact CD1-CD1 3.95Å; Y46-Y52 HydrophobicContact CD1-CD1 3.95Å; Y46-Y52 AromaticContact CD1-CD2 3.85Å; Y46-Y52 HydrophobicContact CD1-CD2 3.85Å; Y46-Y52 HydrophobicContact CD1-CE1 4.42Å; Y46-Y52 HydrophobicContact CD1-CE2 4.33Å; Y46-Y52 AromaticContact CD1-CG 3.64Å; Y46-Y52 HydrophobicContact CD1-CG 3.64Å; Y46-Y52 AromaticContact CE1-CD1 3.93Å; Y46-Y52 HydrophobicContact CE1-CD1 3.93Å; Y46-Y52 AromaticContact CE1-CG 3.85Å; Y46-Y52 HydrophobicContact CE1-CG 3.85Å; T48-Y52 WeakPolarHBondContact CB-OH 3.47Å; T48-Y52 VanDerWaalsContact O-CE2 3.26Å; T48-Y52 WeakPolarHBondContact O-CE2 3.19Å; T48-Y52 PolarHBondContact O-OH 3.07Å; Y52-L63 CarbonylContact O-C 3.57Å; Y52-L63 VanDerWaalsContact O-CA 3.29Å; Y52-L63 WeakPolarHBondContact O-CA 3.26Å; Y52-N64 HydrophobicContact CD2-CB 4.47Å; Y52-N64 PolarHBondContact N-OD1 3.41Å; Y52-N64 PolarHBondContact O-N 2.85Å; Y52-N64 PolarHBondContact O-OD1 2.91Å; Y52-N149 WeakPolarHBondContact CA-OD1 3.42Å; Y52-N149 HydrophobicContact CD1-CB 4.15Å; Y52-N152 HydrophobicContact CE1-CB 4.11Å
53	F	94.1	Very high	85.7	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	126.8	166.9	-69.5	-73.7	0	0	0	109.2	F61 L63 C73 A75 I145 F148 N149 A160 V162	F53-F61 HydrophobicContact CD1-CB 3.79Å; F53-F61 AromaticContact CD1-CD1 3.94Å; F53-F61 HydrophobicContact CD1-CD1 3.94Å; F53-F61 HydrophobicContact CD1-CG 4.04Å; F53-F61 HydrophobicContact CE1-CB 3.73Å; F53-F61 AromaticContact CE1-CD1 3.9Å; F53-F61 HydrophobicContact CE1-CD1 3.9Å; F53-F61 HydrophobicContact CE1-CD2 4.4Å; F53-F61 AromaticContact CE1-CG 3.74Å; F53-F61 HydrophobicContact CE1-CG 3.74Å; F53-L63 HydrophobicContact CD1-CD2 3.73Å; F53-L63 HydrophobicContact CE1-CD2 3.84Å; F53-L63 HydrophobicContact CG-CD2 4.46Å; F53-C73 HydrophobicContact CE1-CB 4.39Å; F53-A75 HydrophobicContact CE2-CB 3.52Å; F53-A75 HydrophobicContact CZ-CB 3.5Å; F53-I145 HydrophobicContact CB-CB 4.44Å; F53-I145 HydrophobicContact CB-CD1 4.49Å; F53-I145 HydrophobicContact CB-CG1 4.14Å; F53-I145 HydrophobicContact CB-CG2 3.68Å; F53-I145 HydrophobicContact CD2-CG1 4.03Å; F53-I145 HydrophobicContact CG-CG1 4.03Å; F53-I145 HydrophobicContact CG-CG2 4.42Å; F53-F148 AromaticContact CD2-CD1 3.77Å; F53-F148 HydrophobicContact CD2-CD1 3.77Å; F53-F148 HydrophobicContact CD2-CE1 4.2Å; F53-F148 AromaticContact CE2-CD1 3.88Å; F53-F148 HydrophobicContact CE2-CD1 3.88Å; F53-F148 HydrophobicContact CE2-CE1 4.16Å; F53-F148 HydrophobicContact CE2-CG 4.49Å; F53-N149 PolarHBondContact N-OD1 2.78Å; F53-N149 PolarHBondContact O-ND2 2.88Å; F53-A160 HydrophobicContact CE2-CB 4.48Å; F53-V162 HydrophobicContact CE1-CG2 4.07Å; F53-V162 HydrophobicContact CE2-CG2 4.22Å; F53-V162 HydrophobicContact CZ-CG2 3.55Å
54	T	92.5	Very high	87.2	Confident	33 Å²	33	40.2 Å²	40.2	20%	0.202	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-37.7	179.3	-56.9	0	0	0	0	111.7	F32 S36 I62 N64	F32-T54 HydrophobicContact CD1-CG2 4.04Å; F32-T54 HydrophobicContact CE1-CG2 3.46Å; F32-T54 VanDerWaalsContact CE1-CG2 3.46Å; F32-T54 HydrophobicContact CE2-CG2 4.41Å; F32-T54 HydrophobicContact CZ-CG2 3.68Å; S36-T54 WeakPolarHBondContact CB-O 3.44Å; S36-T54 PolarHBondContact OG-O 3.23Å; T54-I62 PolarHBondContact N-O 3.45Å; T54-N64 VanDerWaalsContact OG1-CA 3.27Å; T54-N64 WeakPolarHBondContact OG1-CA 3.46Å; T54-N64 PolarHBondContact OG1-N 3.42Å
55	A	91.6	Very high	88.1	Confident	28 Å²	28	41.6 Å²	41.6	23%	0.231	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	163.1	178	0	0	0	0	0	110.5	I62	A55-I62 HydrophobicContact CB-CB 4.21Å; A55-I62 HydrophobicContact CB-CD1 4.28Å; A55-I62 HydrophobicContact CB-CG1 4.41Å; A55-I62 PolarHBondContact N-O 2.84Å; A55-I62 PolarHBondContact O-N 3.23Å
56	Y	94.1	Very high	88.7	Confident	32 Å²	32	39.2 Å²	39.2	13%	0.125	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.1	173.4	65.4	-84.1	0	0	0	110.1	G60 I145 P165 L168 Y171	Y56-G60 WeakPolarHBondContact CA-O 3.31Å; Y56-I145 HydrophobicContact CD1-CD1 3.4Å; Y56-I145 HydrophobicContact CE1-CD1 4.07Å; Y56-I145 HydrophobicContact CG-CD1 3.79Å; Y56-P165 HydrophobicContact CD2-CG 3.83Å; Y56-P165 HydrophobicContact CE2-CG 3.7Å; Y56-L168 HydrophobicContact CD2-CD2 3.99Å; Y56-L168 HydrophobicContact CE2-CD2 3.52Å; Y56-Y171 WeakPolarHBondContact OH-CE2 3.38Å; Y56-Y171 PolarHBondContact OH-OH 3.24Å
57	N	92.6	Very high	89.3	Confident	65 Å²	65	38.4 Å²	38.4	35%	0.348	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	176.7	172.8	64.2	32.6	0	0	0	108.7	N59 G60 P164	N57-N59 PolarHBondContact O-N 3.24Å; N57-N59 WeakPolarHBondContact OD1-CA 3.48Å; N57-N59 WeakPolarHBondContact OD1-CB 3.42Å; N57-N59 PolarHBondContact OD1-N 2.94Å; N57-G60 PolarHBondContact N-O 2.78Å; N57-G60 PolarHBondContact O-N 3.09Å; N57-G60 PolarHBondContact OD1-N 2.92Å; N57-G60 VanDerWaalsContact OD1-N 3.13Å; N57-P164 WeakPolarHBondContact O-CB 3.45Å
58	P	93.3	Very high	90.1	Very high	61 Å²	61	38.7 Å²	38.7	40%	0.396	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-19	-179.7	-28.4	37.2	0	0	0	115.5	P165	P58-P165 VanDerWaalsContact CA-O 3.23Å; P58-P165 WeakPolarHBondContact CA-O 3.32Å; P58-P165 WeakPolarHBondContact CB-O 3.4Å
59	N	92.6	Very high	90.9	Very high	114 Å²	114	38.1 Å²	38.1	61%	0.61	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-16.4	178.5	-63.2	-14.9	0	0	0	113	N57 I70 G71	N57-N59 PolarHBondContact O-N 3.24Å; N57-N59 WeakPolarHBondContact OD1-CA 3.48Å; N57-N59 WeakPolarHBondContact OD1-CB 3.42Å; N57-N59 PolarHBondContact OD1-N 2.94Å; N59-I70 WeakPolarHBondContact O-CA 3.25Å; N59-G71 PolarHBondContact O-N 3.29Å
60	G	93.3	Very high	91.4	Very high	2 Å²	2	41.4 Å²	41.4	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.3	-147.3	-177.5	0	0	0	0	0	114.2	Y56 N57 V69	Y56-G60 WeakPolarHBondContact CA-O 3.31Å; N57-G60 PolarHBondContact N-O 2.78Å; N57-G60 PolarHBondContact O-N 3.09Å; N57-G60 PolarHBondContact OD1-N 2.92Å; N57-G60 VanDerWaalsContact OD1-N 3.13Å; G60-V69 CarbonylContact C-O 3.59Å; G60-V69 VanDerWaalsContact CA-O 3.31Å; G60-V69 WeakPolarHBondContact CA-O 3.1Å
61	F	94.3	Very high	91.7	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.013	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150.5	-167.5	-54.5	-84.9	0	0	0	112.1	F53 K68 V69 G71 C73 T141 I145 V162 P164	F53-F61 HydrophobicContact CD1-CB 3.79Å; F53-F61 AromaticContact CD1-CD1 3.94Å; F53-F61 HydrophobicContact CD1-CD1 3.94Å; F53-F61 HydrophobicContact CD1-CG 4.04Å; F53-F61 HydrophobicContact CE1-CB 3.73Å; F53-F61 AromaticContact CE1-CD1 3.9Å; F53-F61 HydrophobicContact CE1-CD1 3.9Å; F53-F61 HydrophobicContact CE1-CD2 4.4Å; F53-F61 AromaticContact CE1-CG 3.74Å; F53-F61 HydrophobicContact CE1-CG 3.74Å; F61-K68 CarbonylContact O-C 3.53Å; F61-K68 WeakPolarHBondContact O-CA 3.17Å; F61-V69 PolarHBondContact N-O 3.48Å; F61-V69 PolarHBondContact O-N 2.91Å; F61-G71 WeakPolarHBondContact CE2-O 3.17Å; F61-C73 HydrophobicContact CD2-CB 3.43Å; F61-C73 VanDerWaalsContact CD2-CB 3.43Å; F61-C73 HydrophobicContact CE2-CB 3.71Å; F61-C73 HydrophobicContact CG-CB 4.29Å; F61-T141 HydrophobicContact CE1-CG2 3.67Å; F61-T141 HydrophobicContact CZ-CG2 3.98Å; F61-I145 HydrophobicContact CD1-CD1 3.96Å; F61-I145 HydrophobicContact CE1-CD1 3.85Å; F61-V162 HydrophobicContact CD1-CG2 4.31Å; F61-V162 HydrophobicContact CD2-CG2 4.28Å; F61-V162 HydrophobicContact CE1-CB 4.18Å; F61-V162 HydrophobicContact CE1-CG2 3.77Å; F61-V162 HydrophobicContact CE2-CB 4.39Å; F61-V162 HydrophobicContact CE2-CG2 3.68Å; F61-V162 HydrophobicContact CZ-CB 3.75Å; F61-V162 HydrophobicContact CZ-CG2 3.4Å; F61-V162 VanDerWaalsContact CZ-CG2 3.4Å; F61-P164 HydrophobicContact CE2-CB 4.17Å; F61-P164 HydrophobicContact CE2-CG 4.34Å; F61-P164 HydrophobicContact CZ-CB 4.06Å
62	I	93	Very high	92	Very high	42 Å²	42	42.4 Å²	42.4	22%	0.215	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.9	172.1	-52.3	-174.5	0	0	0	107.5	T54 A55 K68	T54-I62 PolarHBondContact N-O 3.45Å; A55-I62 HydrophobicContact CB-CB 4.21Å; A55-I62 HydrophobicContact CB-CD1 4.28Å; A55-I62 HydrophobicContact CB-CG1 4.41Å; A55-I62 PolarHBondContact N-O 2.84Å; A55-I62 PolarHBondContact O-N 3.23Å; I62-K68 HydrophobicContact CG1-CG 4.25Å
63	L	91.9	Very high	92.1	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	161.1	-179.2	-57.2	168.2	0	0	0	110.8	M51 Y52 F53 T65 G66 V67 V69 A80	M51-L63 HydrophobicContact CE-CB 3.53Å; M51-L63 HydrophobicContact CE-CD1 3.49Å; M51-L63 VanDerWaalsContact CE-CD1 3.49Å; M51-L63 HydrophobicContact CE-CD2 3.83Å; M51-L63 HydrophobicContact CE-CG 3.78Å; Y52-L63 CarbonylContact O-C 3.57Å; Y52-L63 VanDerWaalsContact O-CA 3.29Å; Y52-L63 WeakPolarHBondContact O-CA 3.26Å; F53-L63 HydrophobicContact CD1-CD2 3.73Å; F53-L63 HydrophobicContact CE1-CD2 3.84Å; F53-L63 HydrophobicContact CG-CD2 4.46Å; L63-T65 PolarHBondContact O-N 2.88Å; L63-T65 VanDerWaalsContact O-N 3.09Å; L63-G66 WeakPolarHBondContact O-CA 3.16Å; L63-G66 PolarHBondContact O-N 3.45Å; L63-V67 HydrophobicContact CD1-CB 4.2Å; L63-V67 HydrophobicContact CD1-CG1 4.22Å; L63-V67 PolarHBondContact N-O 3.41Å; L63-V69 HydrophobicContact CD1-CG2 3.65Å; L63-V69 HydrophobicContact CG-CG2 4.35Å; L63-A80 HydrophobicContact CD1-CB 3.88Å; L63-A80 HydrophobicContact CD2-CB 4.44Å
64	N	90.7	Very high	92.1	Very high	44 Å²	44	42.1 Å²	42.1	24%	0.235	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.8	177	65.5	-44.4	0	0	0	113.8	G50 Y52 T54 G66	G50-N64 PolarHBondContact O-ND2 3.34Å; Y52-N64 HydrophobicContact CD2-CB 4.47Å; Y52-N64 PolarHBondContact N-OD1 3.41Å; Y52-N64 PolarHBondContact O-N 2.85Å; Y52-N64 PolarHBondContact O-OD1 2.91Å; T54-N64 VanDerWaalsContact OG1-CA 3.27Å; T54-N64 WeakPolarHBondContact OG1-CA 3.46Å; T54-N64 PolarHBondContact OG1-N 3.42Å; N64-G66 PolarHBondContact O-N 2.81Å
65	T	85.6	Confident	92.2	Very high	52 Å²	52	40.6 Å²	40.6	32%	0.319	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-2.6	173.7	58.8	0	0	0	0	113.8	M51 L63 V67	M51-T65 HydrophobicContact CE-CG2 4.29Å; M51-T65 HydrophobicContact SD-CG2 3.75Å; L63-T65 PolarHBondContact O-N 2.88Å; L63-T65 VanDerWaalsContact O-N 3.09Å; T65-V67 PolarHBondContact O-N 3.38Å; T65-V67 WeakPolarHBondContact OG1-CG2 3.04Å
66	G	86.6	Confident	92.2	Very high	46 Å²	46	39.3 Å²	39.3	47%	0.474	22%	0.222	S	C	.	.	S	Bend	trans	80.7	-6	-171.7	0	0	0	0	0	114.1	L63 N64 K68	L63-G66 WeakPolarHBondContact O-CA 3.16Å; L63-G66 PolarHBondContact O-N 3.45Å; N64-G66 PolarHBondContact O-N 2.81Å; G66-K68 PolarHBondContact O-N 3.48Å
67	V	88	Confident	92.1	Very high	56 Å²	56	38.8 Å²	38.8	34%	0.339	22%	0.223	S	C	.	.			trans	-67.5	132.1	177.5	174.2	0	0	0	0	110.2	A21 L63 T65 V69	A21-V67 HydrophobicContact CB-CG1 4.26Å; L63-V67 HydrophobicContact CD1-CB 4.2Å; L63-V67 HydrophobicContact CD1-CG1 4.22Å; L63-V67 PolarHBondContact N-O 3.41Å; T65-V67 PolarHBondContact O-N 3.38Å; T65-V67 WeakPolarHBondContact OG1-CG2 3.04Å; V67-V69 HydrophobicContact CG1-CG2 4.49Å
68	K	91.2	Very high	91.9	Very high	150 Å²	150	40.3 Å²	40.3	65%	0.652	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.8	173	-59.6	-173.6	179.7	175.7	0	109.9	F61 I62 G66	F61-K68 CarbonylContact O-C 3.53Å; F61-K68 WeakPolarHBondContact O-CA 3.17Å; I62-K68 HydrophobicContact CG1-CG 4.25Å; G66-K68 PolarHBondContact O-N 3.48Å
69	V	91.7	Very high	91.7	Very high	7 Å²	7	38 Å²	38	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115.2	173	-176.2	0	0	0	0	108.3	A21 G60 F61 L63 V67 C73	A21-V69 HydrophobicContact CB-CG2 4.06Å; G60-V69 CarbonylContact C-O 3.59Å; G60-V69 VanDerWaalsContact CA-O 3.31Å; G60-V69 WeakPolarHBondContact CA-O 3.1Å; F61-V69 PolarHBondContact N-O 3.48Å; F61-V69 PolarHBondContact O-N 2.91Å; L63-V69 HydrophobicContact CD1-CG2 3.65Å; L63-V69 HydrophobicContact CG-CG2 4.35Å; V67-V69 HydrophobicContact CG1-CG2 4.49Å; V69-C73 HydrophobicContact CB-CB 4.37Å; V69-C73 HydrophobicContact CG1-CB 3.83Å
70	I	92.3	Very high	91.6	Very high	119 Å²	119	32.5 Å²	32.5	61%	0.61	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.9	-179.9	-54.5	-59.2	0	0	0	110	N59	N59-I70 WeakPolarHBondContact O-CA 3.25Å
71	G	94	Very high	91.4	Very high	16 Å²	16	32.4 Å²	32.4	17%	0.165	18%	0.177	C	C	.	.	S	Bend	trans	77.7	-160.5	-178.6	0	0	0	0	0	113.7	N59 F61	N59-G71 PolarHBondContact O-N 3.29Å; F61-G71 WeakPolarHBondContact CE2-O 3.17Å
72	P	95	Very high	91.3	Very high	12 Å²	12	32.8 Å²	32.8	8%	0.078	18%	0.18	C	C	.	.	S	Bend	trans	-57.4	141.1	175.8	-26.2	36.6	0	0	0	112.2	S82 W83 M85 V162 I163	P72-S82 WeakPolarHBondContact O-CA 3.23Å; P72-W83 HydrophobicContact CB-CB 4.2Å; P72-W83 HydrophobicContact CB-CE3 4.13Å; P72-W83 PolarHBondContact O-N 3.34Å; P72-M85 HydrophobicContact CB-CB 4.14Å; P72-M85 HydrophobicContact CG-CB 4.12Å; P72-M85 WeakPolarHBondContact CG-O 3.46Å; P72-V162 CarbonylContact C-O 3.4Å; P72-V162 VanDerWaalsContact CA-O 3.27Å; P72-V162 WeakPolarHBondContact CA-O 3.25Å; P72-I163 HydrophobicContact CB-CG1 4.21Å; P72-I163 HydrophobicContact CG-CG1 4.28Å; P72-I163 HydrophobicContact CG-CG2 4.36Å
73	C	94.9	Very high	91.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.4	-173.6	-179.2	0	0	0	0	109.6	F53 F61 V69 F81 V162	F53-C73 HydrophobicContact CE1-CB 4.39Å; F61-C73 HydrophobicContact CD2-CB 3.43Å; F61-C73 VanDerWaalsContact CD2-CB 3.43Å; F61-C73 HydrophobicContact CE2-CB 3.71Å; F61-C73 HydrophobicContact CG-CB 4.29Å; V69-C73 HydrophobicContact CB-CB 4.37Å; V69-C73 HydrophobicContact CG1-CB 3.83Å; C73-F81 CarbonylContact C-O 3.55Å; C73-F81 WeakPolarHBondContact CA-O 3.31Å; C73-V162 HydrophobicContact CB-CG2 3.99Å; C73-V162 PolarHBondContact N-O 2.72Å; C73-V162 VanDerWaalsContact O-CG2 3.31Å; C73-V162 WeakPolarHBondContact O-CG2 3.46Å; C73-V162 PolarHBondContact O-N 3.2Å
74	A	94.7	Very high	91.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.7	164.7	0	0	0	0	0	109.2	F76 A80 F81 W83 F99 A160	A74-F76 HydrophobicContact CB-CE2 4.35Å; A74-A80 CarbonylContact O-C 3.53Å; A74-A80 WeakPolarHBondContact O-CA 3.23Å; A74-F81 HydrophobicContact CB-CD1 4.28Å; A74-F81 HydrophobicContact CB-CD2 4Å; A74-F81 HydrophobicContact CB-CE1 3.75Å; A74-F81 HydrophobicContact CB-CE2 3.4Å; A74-F81 VanDerWaalsContact CB-CE2 3.4Å; A74-F81 HydrophobicContact CB-CG 4.38Å; A74-F81 HydrophobicContact CB-CZ 3.23Å; A74-F81 PolarHBondContact N-O 3.22Å; A74-F81 PolarHBondContact O-N 3.07Å; A74-W83 HydrophobicContact CB-CB 4.23Å; A74-F99 HydrophobicContact CB-CE1 4.38Å; A74-F99 HydrophobicContact CB-CZ 3.84Å; A74-A160 CarbonylContact C-O 3.52Å; A74-A160 WeakPolarHBondContact CA-O 3.46Å
75	A	94.1	Very high	91.2	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.2	-179	0	0	0	0	0	111.2	F53 A80 F148 A159 A160	F53-A75 HydrophobicContact CE2-CB 3.52Å; F53-A75 HydrophobicContact CZ-CB 3.5Å; A75-A80 HydrophobicContact CB-CB 4.31Å; A75-F148 HydrophobicContact CB-CE1 3.91Å; A75-F148 HydrophobicContact CB-CE2 4.21Å; A75-F148 HydrophobicContact CB-CZ 3.7Å; A75-A159 CarbonylContact O-C 3.41Å; A75-A159 VanDerWaalsContact O-CA 3.27Å; A75-A159 WeakPolarHBondContact O-CA 3.48Å; A75-A160 PolarHBondContact N-O 2.97Å; A75-A160 PolarHBondContact O-N 3.26Å
76	F	93.1	Very high	91.3	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	168.6	179.9	-73	-100.2	0	0	0	108	A74 R78 F79 F81 L98 F99 L102 A159	A74-F76 HydrophobicContact CB-CE2 4.35Å; F76-R78 PolarHBondContact O-N 3.43Å; F76-F79 WeakPolarHBondContact CA-O 3.48Å; F76-F79 HydrophobicContact CB-CD1 4.23Å; F76-F79 HydrophobicContact CB-CD2 3.93Å; F76-F79 HydrophobicContact CB-CE1 3.91Å; F76-F79 HydrophobicContact CB-CE2 3.57Å; F76-F79 HydrophobicContact CB-CG 4.22Å; F76-F79 HydrophobicContact CB-CZ 3.55Å; F76-F79 WeakPolarHBondContact CB-O 3.46Å; F76-F79 AromaticContact CD1-CE2 4Å; F76-F79 HydrophobicContact CD1-CE2 4Å; F76-F79 AromaticContact CD1-CZ 3.74Å; F76-F79 HydrophobicContact CD1-CZ 3.74Å; F76-F79 AromaticContact CD2-CD2 3.94Å; F76-F79 HydrophobicContact CD2-CD2 3.94Å; F76-F79 AromaticContact CD2-CE2 3.32Å; F76-F79 HydrophobicContact CD2-CE2 3.32Å; F76-F79 AromaticContact CD2-CZ 3.95Å; F76-F79 HydrophobicContact CD2-CZ 3.95Å; F76-F79 HydrophobicContact CE1-CZ 4.41Å; F76-F79 HydrophobicContact CE2-CE2 4.03Å; F76-F79 HydrophobicContact CG-CD2 4.08Å; F76-F79 HydrophobicContact CG-CE1 4.29Å; F76-F79 AromaticContact CG-CE2 3.32Å; F76-F79 HydrophobicContact CG-CE2 3.32Å; F76-F79 AromaticContact CG-CZ 3.44Å; F76-F79 HydrophobicContact CG-CZ 3.44Å; F76-F79 VanDerWaalsContact CG-CZ 3.44Å; F76-F79 PolarHBondContact N-O 2.88Å; F76-F79 PolarHBondContact O-N 3.39Å; F76-F79 VanDerWaalsContact O-O 3.12Å; F76-F81 HydrophobicContact CD2-CD1 4.48Å; F76-F81 AromaticContact CD2-CE1 3.98Å; F76-F81 HydrophobicContact CD2-CE1 3.98Å; F76-F81 HydrophobicContact CE2-CD1 4.24Å; F76-F81 AromaticContact CE2-CE1 3.34Å; F76-F81 HydrophobicContact CE2-CE1 3.34Å; F76-F81 AromaticContact CE2-CZ 4Å; F76-F81 HydrophobicContact CE2-CZ 4Å; F76-F81 HydrophobicContact CZ-CE1 4.2Å; F76-L98 HydrophobicContact CE2-CD2 4.32Å; F76-L98 HydrophobicContact CZ-CD2 4.02Å; F76-F99 HydrophobicContact CE1-CD1 4.42Å; F76-F99 HydrophobicContact CE1-CE1 4.48Å; F76-F99 AromaticContact CE2-CE1 3.84Å; F76-F99 HydrophobicContact CE2-CE1 3.84Å; F76-F99 AromaticContact CZ-CD1 3.74Å; F76-F99 HydrophobicContact CZ-CD1 3.74Å; F76-F99 AromaticContact CZ-CE1 3.52Å; F76-F99 HydrophobicContact CZ-CE1 3.52Å; F76-L102 HydrophobicContact CE1-CD1 3.55Å; F76-L102 HydrophobicContact CE1-CD2 3.88Å; F76-L102 HydrophobicContact CE1-CG 4.37Å; F76-L102 HydrophobicContact CZ-CD1 4.16Å; F76-L102 HydrophobicContact CZ-CD2 4.44Å; F76-A159 HydrophobicContact CD1-CB 4.06Å; F76-A159 HydrophobicContact CE1-CB 3.91Å; F76-A159 HydrophobicContact CG-CB 4.48Å; F76-A159 HydrophobicContact CZ-CB 4.16Å
77	P	91.4	Very high	91.4	Very high	21 Å²	21	40.7 Å²	40.7	14%	0.136	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-26	-174.2	-31.9	40.7	0	0	0	114.5	G50 M51 N152 Y157 V158	G50-P77 CarbonylContact C-O 3.56Å; G50-P77 VanDerWaalsContact CA-O 3.23Å; G50-P77 WeakPolarHBondContact CA-O 3.17Å; M51-P77 PolarHBondContact N-O 3.34Å; P77-N152 WeakPolarHBondContact CA-OD1 3.33Å; P77-N152 WeakPolarHBondContact CB-OD1 3.18Å; P77-N152 PolarHBondContact O-ND2 2.98Å; P77-Y157 HydrophobicContact CG-CD2 4Å; P77-Y157 HydrophobicContact CG-CE2 4.29Å; P77-V158 VanDerWaalsContact CD-O 3.25Å; P77-V158 WeakPolarHBondContact CD-O 3.49Å
78	R	88	Confident	91.6	Very high	97 Å²	97	38.1 Å²	38.1	37%	0.366	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	0.3	-174.3	-59.9	-163.2	67.5	-160.3	0.3	115.9	F76	F76-R78 PolarHBondContact O-N 3.43Å
79	F	88.3	Confident	91.7	Very high	12 Å²	12	35 Å²	35	5%	0.053	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	166.7	178.5	55.1	-91	0	0	0	110.5	V7 L11 M51 F76	V7-F79 HydrophobicContact CB-CE1 4.37Å; V7-F79 HydrophobicContact CB-CZ 3.97Å; V7-F79 HydrophobicContact CG1-CE1 4.36Å; V7-F79 HydrophobicContact CG1-CE2 4.15Å; V7-F79 HydrophobicContact CG1-CZ 3.5Å; V7-F79 VanDerWaalsContact CG1-CZ 3.5Å; L11-F79 HydrophobicContact CD1-CD2 4.08Å; L11-F79 HydrophobicContact CD1-CE2 3.61Å; L11-F79 HydrophobicContact CD1-CZ 4.14Å; M51-F79 VanDerWaalsContact CG-N 3.31Å; F76-F79 WeakPolarHBondContact CA-O 3.48Å; F76-F79 HydrophobicContact CB-CD1 4.23Å; F76-F79 HydrophobicContact CB-CD2 3.93Å; F76-F79 HydrophobicContact CB-CE1 3.91Å; F76-F79 HydrophobicContact CB-CE2 3.57Å; F76-F79 HydrophobicContact CB-CG 4.22Å; F76-F79 HydrophobicContact CB-CZ 3.55Å; F76-F79 WeakPolarHBondContact CB-O 3.46Å; F76-F79 AromaticContact CD1-CE2 4Å; F76-F79 HydrophobicContact CD1-CE2 4Å; F76-F79 AromaticContact CD1-CZ 3.74Å; F76-F79 HydrophobicContact CD1-CZ 3.74Å; F76-F79 AromaticContact CD2-CD2 3.94Å; F76-F79 HydrophobicContact CD2-CD2 3.94Å; F76-F79 AromaticContact CD2-CE2 3.32Å; F76-F79 HydrophobicContact CD2-CE2 3.32Å; F76-F79 AromaticContact CD2-CZ 3.95Å; F76-F79 HydrophobicContact CD2-CZ 3.95Å; F76-F79 HydrophobicContact CE1-CZ 4.41Å; F76-F79 HydrophobicContact CE2-CE2 4.03Å; F76-F79 HydrophobicContact CG-CD2 4.08Å; F76-F79 HydrophobicContact CG-CE1 4.29Å; F76-F79 AromaticContact CG-CE2 3.32Å; F76-F79 HydrophobicContact CG-CE2 3.32Å; F76-F79 AromaticContact CG-CZ 3.44Å; F76-F79 HydrophobicContact CG-CZ 3.44Å; F76-F79 VanDerWaalsContact CG-CZ 3.44Å; F76-F79 PolarHBondContact N-O 2.88Å; F76-F79 PolarHBondContact O-N 3.39Å; F76-F79 VanDerWaalsContact O-O 3.12Å
80	A	91.2	Very high	91.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	166.7	173.1	0	0	0	0	0	110.3	A21 L63 A74 A75	A21-A80 CarbonylContact C-O 3.43Å; A21-A80 WeakPolarHBondContact CA-O 3.39Å; A21-A80 WeakPolarHBondContact CB-O 3.43Å; A21-A80 PolarHBondContact N-O 3.49Å; A21-A80 CarbonylContact O-C 3.57Å; A21-A80 PolarHBondContact O-N 3Å; L63-A80 HydrophobicContact CD1-CB 3.88Å; L63-A80 HydrophobicContact CD2-CB 4.44Å; A74-A80 CarbonylContact O-C 3.53Å; A74-A80 WeakPolarHBondContact O-CA 3.23Å; A75-A80 HydrophobicContact CB-CB 4.31Å
81	F	89.8	Confident	91.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	160.8	172.2	60.9	-98.4	0	0	0	111.3	L11 V17 Y19 L20 C73 A74 F76 W83 L98	L11-F81 HydrophobicContact CD2-CD1 3.66Å; L11-F81 HydrophobicContact CD2-CE1 3.45Å; L11-F81 VanDerWaalsContact CD2-CE1 3.45Å; L11-F81 HydrophobicContact CD2-CG 4.42Å; L11-F81 HydrophobicContact CD2-CZ 4.1Å; V17-F81 HydrophobicContact CB-CD2 4.24Å; V17-F81 HydrophobicContact CB-CE2 4.43Å; V17-F81 HydrophobicContact CG1-CB 4.19Å; V17-F81 HydrophobicContact CG1-CD2 3.85Å; V17-F81 HydrophobicContact CG1-CE2 4.5Å; V17-F81 HydrophobicContact CG1-CG 4.11Å; V17-F81 HydrophobicContact CG2-CD2 3.9Å; V17-F81 HydrophobicContact CG2-CE2 3.72Å; V17-F81 HydrophobicContact CG2-CG 4.45Å; V17-F81 HydrophobicContact CG2-CZ 4.11Å; Y19-F81 CarbonylContact O-C 3.55Å; Y19-F81 WeakPolarHBondContact O-CA 3.41Å; Y19-F81 VanDerWaalsContact O-CB 3.3Å; Y19-F81 WeakPolarHBondContact O-CB 3.43Å; L20-F81 HydrophobicContact CD1-CB 4.14Å; C73-F81 CarbonylContact C-O 3.55Å; C73-F81 WeakPolarHBondContact CA-O 3.31Å; A74-F81 HydrophobicContact CB-CD1 4.28Å; A74-F81 HydrophobicContact CB-CD2 4Å; A74-F81 HydrophobicContact CB-CE1 3.75Å; A74-F81 HydrophobicContact CB-CE2 3.4Å; A74-F81 VanDerWaalsContact CB-CE2 3.4Å; A74-F81 HydrophobicContact CB-CG 4.38Å; A74-F81 HydrophobicContact CB-CZ 3.23Å; A74-F81 PolarHBondContact N-O 3.22Å; A74-F81 PolarHBondContact O-N 3.07Å; F76-F81 HydrophobicContact CD2-CD1 4.48Å; F76-F81 AromaticContact CD2-CE1 3.98Å; F76-F81 HydrophobicContact CD2-CE1 3.98Å; F76-F81 HydrophobicContact CE2-CD1 4.24Å; F76-F81 AromaticContact CE2-CE1 3.34Å; F76-F81 HydrophobicContact CE2-CE1 3.34Å; F76-F81 AromaticContact CE2-CZ 4Å; F76-F81 HydrophobicContact CE2-CZ 4Å; F76-F81 HydrophobicContact CZ-CE1 4.2Å; F81-W83 PolarHBondContact O-N 2.66Å; F81-L98 HydrophobicContact CE1-CD2 3.37Å; F81-L98 HydrophobicContact CE2-CD2 4.22Å; F81-L98 HydrophobicContact CZ-CD2 3.14Å
82	S	91.7	Very high	91.9	Very high	11 Å²	11	34.9 Å²	34.9	8%	0.077	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	116.3	173.1	-178.3	0	0	0	0	110	R18 Y19 P72	R18-S82 PolarHBondContact N-O 2.76Å; Y19-S82 PolarHBondContact O-N 3.33Å; P72-S82 WeakPolarHBondContact O-CA 3.23Å
83	W	92.6	Very high	91.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130.2	179.6	-176	36.2	0	0	0	110	P72 A74 F81 M85 I91 S95 L96 A161 I163	P72-W83 HydrophobicContact CB-CB 4.2Å; P72-W83 HydrophobicContact CB-CE3 4.13Å; P72-W83 PolarHBondContact O-N 3.34Å; A74-W83 HydrophobicContact CB-CB 4.23Å; F81-W83 PolarHBondContact O-N 2.66Å; W83-M85 HydrophobicContact CD2-CB 4.03Å; W83-M85 HydrophobicContact CD2-CG 3.41Å; W83-M85 VanDerWaalsContact CD2-CG 3.41Å; W83-M85 HydrophobicContact CE3-CB 4.05Å; W83-M85 HydrophobicContact CE3-CG 3.74Å; W83-M85 HydrophobicContact CG-CG 4.04Å; W83-M85 HydrophobicContact CH2-CG 3.74Å; W83-M85 HydrophobicContact CZ2-CG 3.4Å; W83-M85 HydrophobicContact CZ2-SD 4.16Å; W83-M85 HydrophobicContact CZ3-CB 4.34Å; W83-M85 HydrophobicContact CZ3-CG 3.89Å; W83-M85 PolarHBondContact O-N 3.12Å; W83-I91 HydrophobicContact CH2-CD1 4.16Å; W83-I91 HydrophobicContact CH2-CG1 4.04Å; W83-S95 PolarHBondContact NE1-O 3.28Å; W83-L96 HydrophobicContact CH2-CD2 4.37Å; W83-L96 HydrophobicContact CZ2-CD2 3.79Å; W83-A161 HydrophobicContact CD2-CB 4.28Å; W83-A161 HydrophobicContact CE3-CB 3.88Å; W83-A161 HydrophobicContact CH2-CB 3.87Å; W83-A161 HydrophobicContact CZ2-CB 4.26Å; W83-A161 HydrophobicContact CZ3-CB 3.66Å; W83-I163 HydrophobicContact CE3-CG1 4.45Å; W83-I163 HydrophobicContact CZ3-CD1 4.32Å; W83-I163 HydrophobicContact CZ3-CG1 4.03Å
84	K	90	Very high	91.8	Very high	119 Å²	119	43.5 Å²	43.5	52%	0.517	21%	0.21	S	C	.	.			trans	-77.5	73.9	-178.7	-167.4	-176.3	177.3	-174.2	0	111.1	S15 C16 R18	S15-K84 WeakPolarHBondContact O-CD 3.44Å; C16-K84 WeakPolarHBondContact O-CB 3.24Å; C16-K84 PolarHBondContact O-N 3.47Å; R18-K84 HydrophobicContact CG-CB 4.07Å; R18-K84 HydrophobicContact CG-CD 4.35Å; R18-K84 HydrophobicContact CG-CG 3.99Å
85	M	90	Very high	91.7	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.059	21%	0.213	C	C	.	.			trans	-130.7	158.3	175.8	-76.7	-60.5	-65.2	0	0	111.6	R18 P72 W83 D87 N90 I91 S95	R18-M85 PolarHBondContact NH2-O 3.49Å; R18-M85 VanDerWaalsContact NH2-O 3.14Å; P72-M85 HydrophobicContact CB-CB 4.14Å; P72-M85 HydrophobicContact CG-CB 4.12Å; P72-M85 WeakPolarHBondContact CG-O 3.46Å; W83-M85 HydrophobicContact CD2-CB 4.03Å; W83-M85 HydrophobicContact CD2-CG 3.41Å; W83-M85 VanDerWaalsContact CD2-CG 3.41Å; W83-M85 HydrophobicContact CE3-CB 4.05Å; W83-M85 HydrophobicContact CE3-CG 3.74Å; W83-M85 HydrophobicContact CG-CG 4.04Å; W83-M85 HydrophobicContact CH2-CG 3.74Å; W83-M85 HydrophobicContact CZ2-CG 3.4Å; W83-M85 HydrophobicContact CZ2-SD 4.16Å; W83-M85 HydrophobicContact CZ3-CB 4.34Å; W83-M85 HydrophobicContact CZ3-CG 3.89Å; W83-M85 PolarHBondContact O-N 3.12Å; M85-D87 WeakPolarHBondContact CE-O 3.48Å; M85-N90 HydrophobicContact CE-CB 4.05Å; M85-I91 HydrophobicContact CE-CB 4.26Å; M85-I91 HydrophobicContact CE-CG1 3.53Å; M85-S95 WeakPolarHBondContact SD-CB 3.19Å
86	K	87.5	Confident	91.7	Very high	172 Å²	172	43.9 Å²	43.9	75%	0.748	21%	0.212	S	C	*	.	S	Bend	trans	-107.4	-55.1	170.5	-70.3	-174.7	178.6	-178.4	0	110.5
87	D	89.3	Confident	91.6	Very high	48 Å²	48	45.4 Å²	45.4	26%	0.257	22%	0.223	S	C	.	.			trans	-146	159.7	-173.9	-70.4	-42.8	0	0	0	111	M85 L89 N90 R166	M85-D87 WeakPolarHBondContact CE-O 3.48Å; D87-L89 PolarHBondContact O-N 3.42Å; D87-N90 PolarHBondContact O-N 2.96Å; D87-N90 VanDerWaalsContact O-N 3.07Å; D87-R166 IonicContact OD1-CZ 3.5Å; D87-R166 IonicContact OD1-NE 3.63Å; D87-R166 IonicContact OD1-NH2 3.11Å; D87-R166 PolarHBondContact OD1-NH2 3.11Å; D87-R166 IonicContact OD2-NH2 3.43Å; D87-R166 PolarHBondContact OD2-NH2 2.78Å
88	A	91.8	Very high	91.6	Very high	3 Å²	3	44.4 Å²	44.4	3%	0.025	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-62.1	-27.7	179.9	0	0	0	0	0	113.4	N90 I91 K113 V120 I163	A88-N90 PolarHBondContact O-N 3.11Å; A88-I91 HydrophobicContact CB-CD1 4.37Å; A88-I91 WeakPolarHBondContact O-CD1 3.35Å; A88-I91 VanDerWaalsContact O-CG1 3.28Å; A88-I91 WeakPolarHBondContact O-CG1 3.48Å; A88-I91 PolarHBondContact O-N 3.41Å; A88-K113 HydrophobicContact CB-CB 3.8Å; A88-V120 HydrophobicContact CB-CB 4.14Å; A88-V120 HydrophobicContact CB-CG2 3.95Å; A88-I163 HydrophobicContact CB-CD1 4.07Å
89	L	94.4	Very high	91.9	Very high	85 Å²	85	40 Å²	40	45%	0.445	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-65.4	-24	175.1	-72.6	173.9	0	0	0	113.8	D87 I91 P119	D87-L89 PolarHBondContact O-N 3.42Å; L89-I91 VanDerWaalsContact C-N 3.32Å; L89-P119 HydrophobicContact CD1-CB 4.33Å; L89-P119 HydrophobicContact CD1-CG 3.86Å; L89-P119 HydrophobicContact CD2-CB 4.13Å; L89-P119 HydrophobicContact CD2-CG 4.48Å; L89-P119 HydrophobicContact CG-CB 4.36Å; L89-P119 HydrophobicContact CG-CG 4.18Å
90	N	93.1	Very high	92.1	Very high	92 Å²	92	41.4 Å²	41.4	49%	0.492	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-93.2	9.6	-175.4	-67.3	-45.6	0	0	0	112.8	M85 D87 A88 S92	M85-N90 HydrophobicContact CE-CB 4.05Å; D87-N90 PolarHBondContact O-N 2.96Å; D87-N90 VanDerWaalsContact O-N 3.07Å; A88-N90 PolarHBondContact O-N 3.11Å; N90-S92 PolarHBondContact O-N 3.41Å
91	I	94.8	Very high	92	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.227	C	C	.	.			trans	-65.9	119.5	-178.1	-66.6	169.4	0	0	0	108.3	W83 M85 A88 L89 L96 I111 I125	W83-I91 HydrophobicContact CH2-CD1 4.16Å; W83-I91 HydrophobicContact CH2-CG1 4.04Å; M85-I91 HydrophobicContact CE-CB 4.26Å; M85-I91 HydrophobicContact CE-CG1 3.53Å; A88-I91 HydrophobicContact CB-CD1 4.37Å; A88-I91 WeakPolarHBondContact O-CD1 3.35Å; A88-I91 VanDerWaalsContact O-CG1 3.28Å; A88-I91 WeakPolarHBondContact O-CG1 3.48Å; A88-I91 PolarHBondContact O-N 3.41Å; L89-I91 VanDerWaalsContact C-N 3.32Å; I91-L96 HydrophobicContact CG2-CD1 3.76Å; I91-L96 HydrophobicContact CG2-CD2 4.31Å; I91-L96 HydrophobicContact CG2-CG 3.98Å; I91-I111 HydrophobicContact CD1-CG2 3.88Å; I91-I125 HydrophobicContact CB-CD1 4.25Å; I91-I125 HydrophobicContact CB-CG1 4.16Å; I91-I125 HydrophobicContact CD1-CD1 3.68Å; I91-I125 HydrophobicContact CD1-CG1 4.46Å; I91-I125 HydrophobicContact CG2-CD1 4.29Å; I91-I125 HydrophobicContact CG2-CG1 3.9Å
92	S	94.2	Very high	92	Very high	45 Å²	45	46 Å²	46	32%	0.315	23%	0.23	S	C	.	.			trans	-124	165	-177.6	72.1	0	0	0	0	111.3	N90 E94 S95 L96	N90-S92 PolarHBondContact O-N 3.41Å; S92-E94 PolarHBondContact O-N 2.9Å; S92-S95 PolarHBondContact N-OG 3.48Å; S92-S95 PolarHBondContact O-N 3.27Å; S92-S95 VanDerWaalsContact O-N 3.09Å; S92-S95 PolarHBondContact O-OG 3.43Å; S92-S95 PolarHBondContact OG-N 2.71Å; S92-L96 PolarHBondContact O-N 2.94Å
93	E	94.6	Very high	91.7	Very high	72 Å²	72	52.8 Å²	52.8	34%	0.336	26%	0.261	S	S	.	.	H	α-helix	trans	-57.7	-37.9	174.8	-171.9	169.8	-176.6	0	0	111.4	S95 L96 S97 F100 I128 K131 H132	E93-S95 PolarHBondContact O-N 3.27Å; E93-L96 PolarHBondContact O-N 2.69Å; E93-S97 PolarHBondContact O-N 2.78Å; E93-F100 HydrophobicContact CG-CE2 4.05Å; E93-F100 WeakPolarHBondContact O-CE2 3.41Å; E93-I128 HydrophobicContact CB-CD1 4.41Å; E93-I128 HydrophobicContact CB-CG1 4.38Å; E93-I128 HydrophobicContact CB-CG2 4.03Å; E93-I128 HydrophobicContact CG-CG2 4.1Å; E93-K131 IonicContact OE1-NZ 3.25Å; E93-K131 PolarHBondContact OE1-NZ 3.44Å; E93-K131 IonicContact OE2-NZ 2.69Å; E93-K131 PolarHBondContact OE2-NZ 3.44Å; E93-H132 IonicContact OE1-CD2 2.71Å; E93-H132 IonicContact OE1-CE1 3.81Å; E93-H132 PolarHBondContact OE1-CE1 3.21Å; E93-H132 IonicContact OE1-NE2 2.86Å; E93-H132 PolarHBondContact OE1-NE2 3.2Å
94	E	92.4	Very high	91.6	Very high	121 Å²	121	55.1 Å²	55.1	57%	0.565	28%	0.276	S	S	*	.	H	α-helix	trans	-63.5	-43	175.3	-168.3	-170.3	168.7	0	0	111.8	S15 S92 L96 S97	S15-E94 WeakPolarHBondContact CB-OE1 3.32Å; S15-E94 WeakPolarHBondContact OG-CG 3.49Å; S15-E94 PolarHBondContact OG-OE1 3.44Å; S92-E94 PolarHBondContact O-N 2.9Å; E94-L96 PolarHBondContact O-N 2.95Å; E94-S97 VanDerWaalsContact O-CB 3.27Å; E94-S97 WeakPolarHBondContact O-CB 3.47Å; E94-S97 PolarHBondContact O-N 3.23Å; E94-S97 VanDerWaalsContact O-N 3.16Å; E94-S97 PolarHBondContact O-OG 3.02Å
95	S	92.9	Very high	91.7	Very high	8 Å²	8	54.3 Å²	54.3	6%	0.056	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-25.3	-179.4	73.1	0	0	0	0	113.2	C16 W83 M85 S92 E93	C16-S95 WeakPolarHBondContact CB-O 3.42Å; W83-S95 PolarHBondContact NE1-O 3.28Å; M85-S95 WeakPolarHBondContact SD-CB 3.19Å; S92-S95 PolarHBondContact N-OG 3.48Å; S92-S95 PolarHBondContact O-N 3.27Å; S92-S95 VanDerWaalsContact O-N 3.09Å; S92-S95 PolarHBondContact O-OG 3.43Å; S92-S95 PolarHBondContact OG-N 2.71Å; E93-S95 PolarHBondContact O-N 3.27Å
96	L	94.2	Very high	91.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-101	-2.3	179.8	-63.4	179.6	0	0	0	113.3	W83 I91 S92 E93 E94 L98 F99 F100 L109 I111 I128	W83-L96 HydrophobicContact CH2-CD2 4.37Å; W83-L96 HydrophobicContact CZ2-CD2 3.79Å; I91-L96 HydrophobicContact CG2-CD1 3.76Å; I91-L96 HydrophobicContact CG2-CD2 4.31Å; I91-L96 HydrophobicContact CG2-CG 3.98Å; S92-L96 PolarHBondContact O-N 2.94Å; E93-L96 PolarHBondContact O-N 2.69Å; E94-L96 PolarHBondContact O-N 2.95Å; L96-L98 PolarHBondContact O-N 3.01Å; L96-L98 VanDerWaalsContact O-N 3.08Å; L96-F99 HydrophobicContact CB-CD2 4.24Å; L96-F99 HydrophobicContact CD2-CD2 3.87Å; L96-F99 HydrophobicContact CD2-CE2 3.93Å; L96-F99 WeakPolarHBondContact O-CB 3.46Å; L96-F99 WeakPolarHBondContact O-CD2 3.27Å; L96-F99 PolarHBondContact O-N 3.39Å; L96-F100 HydrophobicContact CB-CE1 4.04Å; L96-F100 HydrophobicContact CB-CE2 3.97Å; L96-F100 HydrophobicContact CB-CZ 3.4Å; L96-F100 HydrophobicContact CD1-CZ 4.42Å; L96-L109 HydrophobicContact CD2-CD2 4.2Å; L96-I111 HydrophobicContact CD2-CD1 4.47Å; L96-I128 HydrophobicContact CD1-CG2 4.3Å
97	S	91.8	Very high	92.3	Very high	33 Å²	33	50 Å²	50	23%	0.231	27%	0.266	C	S	.	.	H	α-helix	trans	-51.6	-37.6	-172.3	58.2	0	0	0	0	114.5	E93 E94 F99 F100	E93-S97 PolarHBondContact O-N 2.78Å; E94-S97 VanDerWaalsContact O-CB 3.27Å; E94-S97 WeakPolarHBondContact O-CB 3.47Å; E94-S97 PolarHBondContact O-N 3.23Å; E94-S97 VanDerWaalsContact O-N 3.16Å; E94-S97 PolarHBondContact O-OG 3.02Å; S97-F99 VanDerWaalsContact C-N 3.28Å; S97-F99 PolarHBondContact O-N 3.44Å; S97-F100 PolarHBondContact O-N 3.47Å
98	L	90.5	Very high	92.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.2	-39.5	176.4	178.6	75.5	0	0	0	112.3	L11 C16 V17 F76 F81 L96 F100 I101 L102	L11-L98 HydrophobicContact CD2-CD1 3.81Å; L11-L98 HydrophobicContact CD2-CD2 3.4Å; L11-L98 VanDerWaalsContact CD2-CD2 3.4Å; L11-L98 HydrophobicContact CD2-CG 4.25Å; L11-L98 HydrophobicContact CG-CD1 4.17Å; L11-L98 HydrophobicContact CG-CD2 4.47Å; C16-L98 VanDerWaalsContact SG-CB 3.56Å; V17-L98 HydrophobicContact CG2-CD2 4.43Å; F76-L98 HydrophobicContact CE2-CD2 4.32Å; F76-L98 HydrophobicContact CZ-CD2 4.02Å; F81-L98 HydrophobicContact CE1-CD2 3.37Å; F81-L98 HydrophobicContact CE2-CD2 4.22Å; F81-L98 HydrophobicContact CZ-CD2 3.14Å; L96-L98 PolarHBondContact O-N 3.01Å; L96-L98 VanDerWaalsContact O-N 3.08Å; L98-F100 PolarHBondContact O-N 3.23Å; L98-I101 HydrophobicContact CD1-CD1 4.36Å; L98-I101 VanDerWaalsContact O-CG1 3.22Å; L98-I101 WeakPolarHBondContact O-CG1 3.41Å; L98-I101 PolarHBondContact O-N 2.86Å; L98-L102 WeakPolarHBondContact O-CG 3.22Å
99	F	93.6	Very high	92.9	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-70.2	-19	-175.4	-56.5	-73.6	0	0	0	112.4	A74 F76 L96 S97 L102 L106 L109 L134 A159 A161	A74-F99 HydrophobicContact CB-CE1 4.38Å; A74-F99 HydrophobicContact CB-CZ 3.84Å; F76-F99 HydrophobicContact CE1-CD1 4.42Å; F76-F99 HydrophobicContact CE1-CE1 4.48Å; F76-F99 AromaticContact CE2-CE1 3.84Å; F76-F99 HydrophobicContact CE2-CE1 3.84Å; F76-F99 AromaticContact CZ-CD1 3.74Å; F76-F99 HydrophobicContact CZ-CD1 3.74Å; F76-F99 AromaticContact CZ-CE1 3.52Å; F76-F99 HydrophobicContact CZ-CE1 3.52Å; L96-F99 HydrophobicContact CB-CD2 4.24Å; L96-F99 HydrophobicContact CD2-CD2 3.87Å; L96-F99 HydrophobicContact CD2-CE2 3.93Å; L96-F99 WeakPolarHBondContact O-CB 3.46Å; L96-F99 WeakPolarHBondContact O-CD2 3.27Å; L96-F99 PolarHBondContact O-N 3.39Å; S97-F99 VanDerWaalsContact C-N 3.28Å; S97-F99 PolarHBondContact O-N 3.44Å; F99-L102 HydrophobicContact CB-CD1 4.48Å; F99-L102 HydrophobicContact CD1-CD1 4.38Å; F99-L106 HydrophobicContact CB-CD1 4.18Å; F99-L106 HydrophobicContact CD1-CD1 3.98Å; F99-L109 HydrophobicContact CB-CD2 4.34Å; F99-L109 HydrophobicContact CD1-CD1 3.8Å; F99-L109 HydrophobicContact CD2-CD1 4.42Å; F99-L109 HydrophobicContact CD2-CD2 4.05Å; F99-L109 HydrophobicContact CE1-CD1 3.77Å; F99-L109 HydrophobicContact CE2-CD1 4.42Å; F99-L109 HydrophobicContact CG-CD1 4.13Å; F99-L109 HydrophobicContact CG-CD2 4.08Å; F99-L109 HydrophobicContact CZ-CD1 4.11Å; F99-L134 HydrophobicContact CB-CD2 3.75Å; F99-A159 HydrophobicContact CD1-CB 4.13Å; F99-A159 HydrophobicContact CE1-CB 4.03Å; F99-A161 HydrophobicContact CE2-CB 4.1Å; F99-A161 HydrophobicContact CZ-CB 3.83Å
100	F	92.3	Very high	93.1	Very high	43 Å²	43	44.2 Å²	44.2	19%	0.189	24%	0.235	C	C	.	.	H	α-helix	trans	-83.5	-21.3	179.9	-48.3	-36.9	0	0	0	113.5	E93 L96 S97 L98 I128 H132 L134	E93-F100 HydrophobicContact CG-CE2 4.05Å; E93-F100 WeakPolarHBondContact O-CE2 3.41Å; L96-F100 HydrophobicContact CB-CE1 4.04Å; L96-F100 HydrophobicContact CB-CE2 3.97Å; L96-F100 HydrophobicContact CB-CZ 3.4Å; L96-F100 HydrophobicContact CD1-CZ 4.42Å; S97-F100 PolarHBondContact O-N 3.47Å; L98-F100 PolarHBondContact O-N 3.23Å; F100-I128 HydrophobicContact CE2-CG2 4.3Å; F100-I128 HydrophobicContact CZ-CG2 3.64Å; F100-H132 HydrophobicContact CB-CB 4.23Å; F100-H132 HydrophobicContact CD1-CB 3.41Å; F100-H132 VanDerWaalsContact CD1-CB 3.41Å; F100-H132 AromaticContact CD1-CG 3.66Å; F100-H132 HydrophobicContact CD2-CB 4.33Å; F100-H132 AromaticContact CD2-CD2 3.57Å; F100-H132 AromaticContact CD2-CE1 3.81Å; F100-H132 AromaticContact CD2-CG 3.65Å; F100-H132 AromaticContact CD2-ND1 3.83Å; F100-H132 AromaticContact CD2-NE2 3.67Å; F100-H132 HydrophobicContact CE1-CB 3.79Å; F100-H132 AromaticContact CE1-CD2 3.87Å; F100-H132 AromaticContact CE1-CG 3.95Å; F100-H132 AromaticContact CE2-CD2 3.43Å; F100-H132 VanDerWaalsContact CE2-CD2 3.43Å; F100-H132 WeakPolarHBondContact CE2-CD2 3.24Å; F100-H132 AromaticContact CE2-CG 3.96Å; F100-H132 AromaticContact CE2-NE2 3.65Å; F100-H132 HydrophobicContact CG-CB 3.74Å; F100-H132 AromaticContact CG-CD2 3.89Å; F100-H132 AromaticContact CG-CG 3.53Å; F100-H132 AromaticContact CG-ND1 3.82Å; F100-H132 HydrophobicContact CZ-CB 4.41Å; F100-H132 AromaticContact CZ-CD2 3.59Å; F100-L134 HydrophobicContact CD1-CB 4.4Å; F100-L134 HydrophobicContact CD1-CD2 3.86Å; F100-L134 HydrophobicContact CE1-CB 4.48Å; F100-L134 HydrophobicContact CE1-CD2 3.71Å
101	I	89.9	Confident	93.3	Very high	84 Å²	84	39.8 Å²	39.8	43%	0.431	21%	0.211	S	C	.	.	S	Bend	trans	-100.6	4.6	-173.3	61.2	173.8	0	0	0	113.5	Q10 L98	Q10-I101 HydrophobicContact CB-CD1 4.21Å; Q10-I101 PolarHBondContact OE1-O 3.21Å; Q10-I101 VanDerWaalsContact OE1-O 3.09Å; L98-I101 HydrophobicContact CD1-CD1 4.36Å; L98-I101 VanDerWaalsContact O-CG1 3.22Å; L98-I101 WeakPolarHBondContact O-CG1 3.41Å; L98-I101 PolarHBondContact O-N 2.86Å
102	L	89.6	Confident	93.5	Very high	12 Å²	12	39.7 Å²	39.7	6%	0.063	21%	0.211	C	C	.	.			trans	-71.9	140.8	-176.7	-61.4	166.5	0	0	0	111.8	V7 F76 L98 F99 P104 L106	V7-L102 HydrophobicContact CG1-CD2 3.62Å; V7-L102 HydrophobicContact CG2-CD2 4.07Å; F76-L102 HydrophobicContact CE1-CD1 3.55Å; F76-L102 HydrophobicContact CE1-CD2 3.88Å; F76-L102 HydrophobicContact CE1-CG 4.37Å; F76-L102 HydrophobicContact CZ-CD1 4.16Å; F76-L102 HydrophobicContact CZ-CD2 4.44Å; L98-L102 WeakPolarHBondContact O-CG 3.22Å; F99-L102 HydrophobicContact CB-CD1 4.48Å; F99-L102 HydrophobicContact CD1-CD1 4.38Å; L102-P104 CarbonylContact C-O 3.59Å; L102-P104 CarbonylContact O-C 3.56Å; L102-L106 HydrophobicContact CD1-CD1 3.45Å; L102-L106 VanDerWaalsContact CD1-CD1 3.45Å; L102-L106 HydrophobicContact CD1-CD2 3.94Å; L102-L106 HydrophobicContact CD1-CG 3.52Å
103	E	86.5	Confident	93.5	Very high	153 Å²	153	38.1 Å²	38.1	72%	0.715	20%	0.198	S	C	*	.	S	Bend	trans	-131.7	118.3	172.9	-167.9	155.4	-159.7	0	0	110.6
104	P	90.5	Very high	93.5	Very high	50 Å²	50	34.9 Å²	34.9	33%	0.325	18%	0.184	S	C	.	.	S	Bend	cis	-64.7	163.1	0.4	30.2	-35.9	0	0	0	113.2	L102 Y157	L102-P104 CarbonylContact C-O 3.59Å; L102-P104 CarbonylContact O-C 3.56Å; P104-Y157 HydrophobicContact CG-CD1 3.91Å; P104-Y157 HydrophobicContact CG-CE1 3.96Å; P104-Y157 HydrophobicContact CG-CG 4.38Å; P104-Y157 WeakPolarHBondContact O-CE1 3.12Å
105	P	91.9	Very high	93.5	Very high	102 Å²	102	30.9 Å²	30.9	66%	0.662	17%	0.166	S	C	*	.	P	Polyproline II helix	trans	-63.6	149.7	172.7	27.8	-34.7	0	0	0	110.6	Y157	P105-Y157 WeakPolarHBondContact O-CD1 3.14Å
106	L	93.7	Very high	93.3	Very high	9 Å²	9	33.8 Å²	33.8	5%	0.047	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-65.6	140.1	176.7	-68.4	169.3	0	0	0	111	F99 L102 V108 L109 L134 Y157 A159	F99-L106 HydrophobicContact CB-CD1 4.18Å; F99-L106 HydrophobicContact CD1-CD1 3.98Å; L102-L106 HydrophobicContact CD1-CD1 3.45Å; L102-L106 VanDerWaalsContact CD1-CD1 3.45Å; L102-L106 HydrophobicContact CD1-CD2 3.94Å; L102-L106 HydrophobicContact CD1-CG 3.52Å; L106-V108 VanDerWaalsContact C-N 3.35Å; L106-L109 HydrophobicContact CD1-CB 4.47Å; L106-L134 HydrophobicContact CB-CD1 3.79Å; L106-L134 HydrophobicContact CD1-CD1 3.95Å; L106-L134 HydrophobicContact CG-CD1 4.42Å; L106-Y157 HydrophobicContact CD2-CD1 3.83Å; L106-Y157 HydrophobicContact CD2-CE1 3.62Å; L106-Y157 HydrophobicContact CG-CE1 4.31Å; L106-A159 HydrophobicContact CD1-CB 3.62Å; L106-A159 HydrophobicContact CD2-CB 3.69Å; L106-A159 HydrophobicContact CG-CB 4.33Å
107	E	95.7	Very high	93	Very high	85 Å²	85	42.3 Å²	42.3	40%	0.397	22%	0.22	S	C	.	.	S	Bend	trans	-69.6	-38.1	169.4	-69.9	177.2	-131.8	0	0	111.3	P135 R156 Y157	E107-P135 WeakPolarHBondContact O-CB 3.46Å; E107-P135 WeakPolarHBondContact O-CG 3.39Å; E107-R156 IonicContact OE2-CZ 2.8Å; E107-R156 VanDerWaalsContact OE2-CZ 3.28Å; E107-R156 IonicContact OE2-NE 2.78Å; E107-R156 PolarHBondContact OE2-NE 2.86Å; E107-R156 IonicContact OE2-NH2 3.28Å; E107-R156 PolarHBondContact OE2-NH2 3.32Å; E107-Y157 PolarHBondContact N-O 2.77Å; E107-Y157 PolarHBondContact OE1-N 3.07Å
108	V	97	Very high	92.9	Very high	13 Å²	13	41.9 Å²	41.9	8%	0.079	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	140.9	175.4	66	0	0	0	0	110.5	L106 I110 E137 L151 V158 A159	L106-V108 VanDerWaalsContact C-N 3.35Å; V108-I110 HydrophobicContact CG2-CG1 4.48Å; V108-E137 HydrophobicContact CG2-CG 4.12Å; V108-L151 HydrophobicContact CG1-CD1 3.87Å; V108-V158 HydrophobicContact CG1-CB 4.26Å; V108-V158 HydrophobicContact CG1-CG2 3.73Å; V108-A159 PolarHBondContact O-N 3.27Å
109	L	97.9	Very high	93	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.6	165.9	173.4	64.4	0	0	0	109.2	L96 F99 L106 I111 L134 P135 V136 E137 A159 A161	L96-L109 HydrophobicContact CD2-CD2 4.2Å; F99-L109 HydrophobicContact CB-CD2 4.34Å; F99-L109 HydrophobicContact CD1-CD1 3.8Å; F99-L109 HydrophobicContact CD2-CD1 4.42Å; F99-L109 HydrophobicContact CD2-CD2 4.05Å; F99-L109 HydrophobicContact CE1-CD1 3.77Å; F99-L109 HydrophobicContact CE2-CD1 4.42Å; F99-L109 HydrophobicContact CG-CD1 4.13Å; F99-L109 HydrophobicContact CG-CD2 4.08Å; F99-L109 HydrophobicContact CZ-CD1 4.11Å; L106-L109 HydrophobicContact CD1-CB 4.47Å; L109-I111 HydrophobicContact CD2-CD1 4.2Å; L109-I111 HydrophobicContact CD2-CG1 4.17Å; L109-I111 HydrophobicContact CG-CG1 4.13Å; L109-L134 HydrophobicContact CB-CD1 4.18Å; L109-L134 HydrophobicContact CB-CD2 4.05Å; L109-L134 HydrophobicContact CB-CG 4.15Å; L109-L134 HydrophobicContact CD2-CD2 3.66Å; L109-L134 HydrophobicContact CG-CD2 4.48Å; L109-P135 PolarHBondContact N-O 2.79Å; L109-V136 HydrophobicContact CB-CG2 4.43Å; L109-V136 HydrophobicContact CD2-CG2 4.42Å; L109-V136 HydrophobicContact CG-CG2 4.42Å; L109-V136 CarbonylContact O-C 3.55Å; L109-V136 VanDerWaalsContact O-CA 3.26Å; L109-V136 WeakPolarHBondContact O-CA 3.28Å; L109-V136 WeakPolarHBondContact O-CG2 3.42Å; L109-E137 PolarHBondContact O-N 3.09Å; L109-A159 WeakPolarHBondContact CA-O 3.27Å; L109-A159 HydrophobicContact CD1-CB 4.11Å; L109-A161 HydrophobicContact CD1-CB 4.29Å
110	I	98.4	Very high	93.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.9	173.8	-59.2	-159	0	0	0	109.9	V108 E137 M139 A144 T147 L151 V158 A159 A160 A161	V108-I110 HydrophobicContact CG2-CG1 4.48Å; I110-E137 CarbonylContact C-O 3.46Å; I110-E137 WeakPolarHBondContact CA-O 3.34Å; I110-M139 HydrophobicContact CD1-CE 4.44Å; I110-M139 HydrophobicContact CG2-CE 4.14Å; I110-M139 HydrophobicContact CG2-CG 4.21Å; I110-M139 HydrophobicContact CG2-SD 4.06Å; I110-A144 HydrophobicContact CG2-CB 3.6Å; I110-T147 HydrophobicContact CD1-CG2 3.28Å; I110-L151 HydrophobicContact CD1-CD1 3.82Å; I110-V158 HydrophobicContact CG1-CG2 4.3Å; I110-A159 PolarHBondContact N-O 3.24Å; I110-A160 HydrophobicContact CB-CB 4.45Å; I110-A160 CarbonylContact O-C 3.33Å; I110-A160 WeakPolarHBondContact O-CA 3.19Å; I110-A161 PolarHBondContact O-N 3.18Å
111	I	97.9	Very high	93.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.8	177.4	-61.1	-179.9	0	0	0	109.4	I91 L96 L109 I125 V136 E137 V138 M139 A161	I91-I111 HydrophobicContact CD1-CG2 3.88Å; L96-I111 HydrophobicContact CD2-CD1 4.47Å; L109-I111 HydrophobicContact CD2-CD1 4.2Å; L109-I111 HydrophobicContact CD2-CG1 4.17Å; L109-I111 HydrophobicContact CG-CG1 4.13Å; I111-I125 HydrophobicContact CD1-CG2 3.69Å; I111-V136 HydrophobicContact CD1-CG2 3.61Å; I111-V136 HydrophobicContact CG1-CG2 3.94Å; I111-E137 PolarHBondContact N-O 3.32Å; I111-V138 HydrophobicContact CB-CG1 4.5Å; I111-V138 HydrophobicContact CB-CG2 4.2Å; I111-V138 HydrophobicContact CD1-CG2 4.39Å; I111-V138 HydrophobicContact CG2-CG1 4.42Å; I111-M139 PolarHBondContact O-N 3.24Å; I111-A161 CarbonylContact C-O 3.21Å; I111-A161 VanDerWaalsContact CA-O 3.32Å; I111-A161 WeakPolarHBondContact CA-O 3.42Å
112	G	97.3	Very high	93.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	107.7	171.8	0	0	0	0	0	110.8	G114 M139 T141 A161 I163	G112-G114 PolarHBondContact O-N 2.86Å; G112-M139 WeakPolarHBondContact CA-O 3.42Å; G112-T141 PolarHBondContact O-OG1 2.95Å; G112-A161 PolarHBondContact N-O 3.36Å; G112-I163 PolarHBondContact O-N 3.36Å
113	K	95.2	Very high	93.9	Very high	11 Å²	11	53.6 Å²	53.6	5%	0.048	28%	0.277	C	S	.	.			trans	-80	5.6	-171.6	74.3	-175.1	178.2	68.9	0	115.6	A88 E115 T116 S118 V120 Y122 M139	A88-K113 HydrophobicContact CB-CB 3.8Å; K113-E115 PolarHBondContact NZ-O 2.87Å; K113-T116 VanDerWaalsContact NZ-C 3.31Å; K113-T116 PolarHBondContact NZ-O 3.44Å; K113-S118 PolarHBondContact NZ-O 2.98Å; K113-S118 PolarHBondContact O-OG 2.77Å; K113-S118 VanDerWaalsContact O-OG 3.09Å; K113-V120 HydrophobicContact CB-CB 4.47Å; K113-V120 HydrophobicContact CD-CB 4.13Å; K113-V120 HydrophobicContact CD-CG1 3.64Å; K113-Y122 WeakPolarHBondContact CE-OH 3.29Å; K113-M139 WeakPolarHBondContact CG-O 3.46Å; K113-M139 PolarHBondContact N-O 3.03Å
114	G	94.3	Very high	94.3	Very high	4 Å²	4	52.6 Å²	52.6	4%	0.041	27%	0.267	C	S	.	.	S	Bend	trans	92.5	-132.9	-167.7	0	0	0	0	0	110.9	G112 T141 I163	G112-G114 PolarHBondContact O-N 2.86Å; G114-T141 WeakPolarHBondContact CA-OG1 3.1Å; G114-T141 PolarHBondContact N-OG1 3.43Å; G114-T141 PolarHBondContact O-N 3.5Å; G114-T141 PolarHBondContact O-OG1 3.3Å; G114-I163 WeakPolarHBondContact CA-O 3.42Å
115	E	91.7	Very high	94.6	Very high	38 Å²	38	50.3 Å²	50.3	18%	0.178	25%	0.252	C	S	.	.	S	Bend	trans	-60.9	154.2	179.1	-64.1	131.9	-145	0	0	112.1	K113 K117 S118 P165 R166 R167 D169	K113-E115 PolarHBondContact NZ-O 2.87Å; E115-K117 PolarHBondContact O-N 2.97Å; E115-S118 WeakPolarHBondContact O-CB 3.48Å; E115-S118 PolarHBondContact O-N 3Å; E115-P165 HydrophobicContact CG-CB 3.94Å; E115-R166 VanDerWaalsContact OE1-CA 3.24Å; E115-R166 WeakPolarHBondContact OE1-CA 3.39Å; E115-R166 WeakPolarHBondContact OE1-CB 3.48Å; E115-R166 PolarHBondContact OE1-N 2.76Å; E115-R167 HydrophobicContact CG-CB 4.47Å; E115-R167 WeakPolarHBondContact CG-O 3.43Å; E115-R167 PolarHBondContact OE1-N 3.4Å; E115-D169 VanDerWaalsContact CA-OD2 3.32Å; E115-D169 WeakPolarHBondContact CA-OD2 3.25Å
116	T	88.6	Confident	94.9	Very high	68 Å²	68	49.3 Å²	49.3	42%	0.417	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-38.9	174.1	-53.2	0	0	0	0	111.4	K113 D169	K113-T116 VanDerWaalsContact NZ-C 3.31Å; K113-T116 PolarHBondContact NZ-O 3.44Å; T116-D169 VanDerWaalsContact CB-OD2 3.24Å; T116-D169 WeakPolarHBondContact CB-OD2 3.45Å; T116-D169 PolarHBondContact N-OD2 3.26Å; T116-D169 PolarHBondContact OG1-OD2 3.4Å
117	K	88.9	Confident	95.1	Very high	180 Å²	180	52.8 Å²	52.8	78%	0.783	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	4.1	177.5	-63.5	175.8	-176.1	166.4	0	114.1	E115	E115-K117 PolarHBondContact O-N 2.97Å
118	S	89.4	Confident	95.1	Very high	24 Å²	24	49.7 Å²	49.7	17%	0.168	25%	0.245	C	C	.	.			trans	-60.5	131.2	177.4	177.9	0	0	0	0	111.3	K113 E115	K113-S118 PolarHBondContact NZ-O 2.98Å; K113-S118 PolarHBondContact O-OG 2.77Å; K113-S118 VanDerWaalsContact O-OG 3.09Å; E115-S118 WeakPolarHBondContact O-CB 3.48Å; E115-S118 PolarHBondContact O-N 3Å
119	P	92.7	Very high	95.1	Very high	83 Å²	83	49.1 Å²	49.1	54%	0.539	24%	0.242	S	C	.	.			trans	-69.1	140.2	179.3	30.4	-36	0	0	0	111.2	L89	L89-P119 HydrophobicContact CD1-CB 4.33Å; L89-P119 HydrophobicContact CD1-CG 3.86Å; L89-P119 HydrophobicContact CD2-CB 4.13Å; L89-P119 HydrophobicContact CD2-CG 4.48Å; L89-P119 HydrophobicContact CG-CB 4.36Å; L89-P119 HydrophobicContact CG-CG 4.18Å
120	V	94.9	Very high	95.1	Very high	21 Å²	21	59.2 Å²	59.2	13%	0.127	28%	0.28	C	S	.	.			trans	-148.2	142.4	176.8	68.4	0	0	0	0	110.6	A88 K113 Y122 I125 V138	A88-V120 HydrophobicContact CB-CB 4.14Å; A88-V120 HydrophobicContact CB-CG2 3.95Å; K113-V120 HydrophobicContact CB-CB 4.47Å; K113-V120 HydrophobicContact CD-CB 4.13Å; K113-V120 HydrophobicContact CD-CG1 3.64Å; V120-Y122 HydrophobicContact CG1-CD1 4.19Å; V120-Y122 HydrophobicContact CG1-CD2 3.47Å; V120-Y122 VanDerWaalsContact CG1-CD2 3.47Å; V120-Y122 HydrophobicContact CG1-CE1 3.87Å; V120-Y122 HydrophobicContact CG1-CE2 3.07Å; V120-Y122 HydrophobicContact CG1-CG 4.01Å; V120-Y122 PolarHBondContact O-N 2.98Å; V120-I125 HydrophobicContact CG2-CD1 3.45Å; V120-I125 VanDerWaalsContact CG2-CD1 3.45Å; V120-V138 HydrophobicContact CG1-CG1 4.39Å; V120-V138 HydrophobicContact CG2-CG1 4.42Å
121	D	95.8	Very high	95	Very high	60 Å²	60	65.5 Å²	65.5	32%	0.321	31%	0.307	S	S	.	.			trans	-86.9	82.1	174.8	-173.8	-13.3	0	0	0	109.5	Q123 R124 I125	D121-Q123 VanDerWaalsContact C-N 3.27Å; D121-Q123 PolarHBondContact O-N 3.33Å; D121-Q123 PolarHBondContact OD1-N 2.81Å; D121-R124 HydrophobicContact CB-CB 4.06Å; D121-R124 PolarHBondContact O-N 3.2Å; D121-R124 WeakPolarHBondContact OD1-CB 3.16Å; D121-R124 PolarHBondContact OD1-N 3.11Å; D121-R124 VanDerWaalsContact OD2-CB 3.26Å; D121-R124 WeakPolarHBondContact OD2-CB 3.27Å; D121-R124 IonicContact OD2-CZ 3.4Å; D121-R124 IonicContact OD2-NE 3.62Å; D121-R124 PolarHBondContact OD2-NE 2.84Å; D121-I125 WeakPolarHBondContact O-CG1 3.29Å; D121-I125 PolarHBondContact O-N 3.04Å
122	Y	96.2	Very high	94.9	Very high	107 Å²	107	68.8 Å²	68.8	42%	0.42	32%	0.322	S	S	.	.	H	α-helix	trans	-56	-42.9	179.8	-72.5	-85.3	0	0	0	111.8	K113 V120 R124 I125 L126 V138	K113-Y122 WeakPolarHBondContact CE-OH 3.29Å; V120-Y122 HydrophobicContact CG1-CD1 4.19Å; V120-Y122 HydrophobicContact CG1-CD2 3.47Å; V120-Y122 VanDerWaalsContact CG1-CD2 3.47Å; V120-Y122 HydrophobicContact CG1-CE1 3.87Å; V120-Y122 HydrophobicContact CG1-CE2 3.07Å; V120-Y122 HydrophobicContact CG1-CG 4.01Å; V120-Y122 PolarHBondContact O-N 2.98Å; Y122-R124 PolarHBondContact O-N 3.45Å; Y122-I125 PolarHBondContact O-N 2.84Å; Y122-L126 WeakPolarHBondContact O-CB 3.26Å; Y122-L126 VanDerWaalsContact O-CG 3.23Å; Y122-L126 WeakPolarHBondContact O-CG 3.19Å; Y122-L126 PolarHBondContact O-N 3.19Å; Y122-V138 HydrophobicContact CD1-CB 3.97Å; Y122-V138 HydrophobicContact CD1-CG1 4.04Å; Y122-V138 HydrophobicContact CD1-CG2 4.43Å; Y122-V138 HydrophobicContact CE1-CB 3.69Å; Y122-V138 HydrophobicContact CE1-CG1 3.57Å
123	Q	96.6	Very high	94.8	Very high	118 Å²	118	79.7 Å²	79.7	55%	0.551	36%	0.364	S	S	*	.	H	α-helix	trans	-63.1	-43.7	-176.3	-169.8	65.6	37.3	0	0	111.5	D121 N127	D121-Q123 VanDerWaalsContact C-N 3.27Å; D121-Q123 PolarHBondContact O-N 3.33Å; D121-Q123 PolarHBondContact OD1-N 2.81Å; Q123-N127 PolarHBondContact NE2-OD1 3.33Å; Q123-N127 VanDerWaalsContact NE2-OD1 3.12Å; Q123-N127 VanDerWaalsContact O-CB 3.31Å; Q123-N127 WeakPolarHBondContact O-CB 3.44Å; Q123-N127 PolarHBondContact O-N 3.41Å; Q123-N127 PolarHBondContact O-ND2 3.17Å; Q123-N127 PolarHBondContact O-OD1 3.18Å
124	R	96.2	Very high	94.9	Very high	131 Å²	131	79.8 Å²	79.8	49%	0.494	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-47.3	175.9	176.2	177.2	-69.8	175.9	-1.4	111.7	D121 Y122 N127 I128	D121-R124 HydrophobicContact CB-CB 4.06Å; D121-R124 PolarHBondContact O-N 3.2Å; D121-R124 WeakPolarHBondContact OD1-CB 3.16Å; D121-R124 PolarHBondContact OD1-N 3.11Å; D121-R124 VanDerWaalsContact OD2-CB 3.26Å; D121-R124 WeakPolarHBondContact OD2-CB 3.27Å; D121-R124 IonicContact OD2-CZ 3.4Å; D121-R124 IonicContact OD2-NE 3.62Å; D121-R124 PolarHBondContact OD2-NE 2.84Å; Y122-R124 PolarHBondContact O-N 3.45Å; R124-N127 PolarHBondContact O-N 2.93Å; R124-I128 HydrophobicContact CG-CD1 3.73Å; R124-I128 WeakPolarHBondContact O-CD1 3.26Å; R124-I128 VanDerWaalsContact O-CG1 3.25Å; R124-I128 WeakPolarHBondContact O-CG1 3.39Å; R124-I128 PolarHBondContact O-N 3.04Å
125	I	97.1	Very high	95	Very high	2 Å²	2	82.7 Å²	82.7	1%	0.01	38%	0.383	C	S	.	.	H	α-helix	trans	-61.5	-49.9	-179.3	-65.5	171.9	0	0	0	110.3	I91 I111 V120 D121 Y122 N127 I128 C129 V136 V138	I91-I125 HydrophobicContact CB-CD1 4.25Å; I91-I125 HydrophobicContact CB-CG1 4.16Å; I91-I125 HydrophobicContact CD1-CD1 3.68Å; I91-I125 HydrophobicContact CD1-CG1 4.46Å; I91-I125 HydrophobicContact CG2-CD1 4.29Å; I91-I125 HydrophobicContact CG2-CG1 3.9Å; I111-I125 HydrophobicContact CD1-CG2 3.69Å; V120-I125 HydrophobicContact CG2-CD1 3.45Å; V120-I125 VanDerWaalsContact CG2-CD1 3.45Å; D121-I125 WeakPolarHBondContact O-CG1 3.29Å; D121-I125 PolarHBondContact O-N 3.04Å; Y122-I125 PolarHBondContact O-N 2.84Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 PolarHBondContact O-N 2.83Å; I125-I128 PolarHBondContact O-N 2.95Å; I125-C129 WeakPolarHBondContact O-CB 3.42Å; I125-C129 PolarHBondContact O-N 3.36Å; I125-C129 PolarHBondContact O-SG 3.19Å; I125-V136 HydrophobicContact CG2-CG2 4.32Å; I125-V138 HydrophobicContact CD1-CG2 4.42Å; I125-V138 HydrophobicContact CG2-CG2 3.94Å
126	L	97	Very high	95.3	Very high	81 Å²	81	82.2 Å²	82.2	42%	0.424	38%	0.382	S	S	.	.	H	α-helix	trans	-59.8	-43.8	179.5	-69	172.5	0	0	0	111.6	Y122 C129 W130 V136	Y122-L126 WeakPolarHBondContact O-CB 3.26Å; Y122-L126 VanDerWaalsContact O-CG 3.23Å; Y122-L126 WeakPolarHBondContact O-CG 3.19Å; Y122-L126 PolarHBondContact O-N 3.19Å; L126-C129 PolarHBondContact O-N 3.09Å; L126-W130 WeakPolarHBondContact O-CB 3.44Å; L126-W130 PolarHBondContact O-N 2.99Å; L126-V136 HydrophobicContact CD2-CG1 3.83Å
127	N	97.4	Very high	95.7	Very high	83 Å²	83	83.5 Å²	83.5	44%	0.444	38%	0.384	S	S	.	.	H	α-helix	trans	-62.1	-44.3	177.7	-74.5	-9.5	0	0	0	112.3	Q123 R124 I125 K131	Q123-N127 PolarHBondContact NE2-OD1 3.33Å; Q123-N127 VanDerWaalsContact NE2-OD1 3.12Å; Q123-N127 VanDerWaalsContact O-CB 3.31Å; Q123-N127 WeakPolarHBondContact O-CB 3.44Å; Q123-N127 PolarHBondContact O-N 3.41Å; Q123-N127 PolarHBondContact O-ND2 3.17Å; Q123-N127 PolarHBondContact O-OD1 3.18Å; R124-N127 PolarHBondContact O-N 2.93Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 PolarHBondContact O-N 2.83Å; N127-K131 WeakPolarHBondContact O-CB 3.18Å; N127-K131 PolarHBondContact O-N 3.41Å; N127-K131 VanDerWaalsContact O-N 3.11Å
128	I	97.4	Very high	96.1	Very high	20 Å²	20	76.2 Å²	76.2	10%	0.103	35%	0.354	C	S	.	.	H	α-helix	trans	-61.8	-51.5	177.4	-69.4	163.2	0	0	0	110	E93 L96 F100 R124 I125 W130 K131 H132	E93-I128 HydrophobicContact CB-CD1 4.41Å; E93-I128 HydrophobicContact CB-CG1 4.38Å; E93-I128 HydrophobicContact CB-CG2 4.03Å; E93-I128 HydrophobicContact CG-CG2 4.1Å; L96-I128 HydrophobicContact CD1-CG2 4.3Å; F100-I128 HydrophobicContact CE2-CG2 4.3Å; F100-I128 HydrophobicContact CZ-CG2 3.64Å; R124-I128 HydrophobicContact CG-CD1 3.73Å; R124-I128 WeakPolarHBondContact O-CD1 3.26Å; R124-I128 VanDerWaalsContact O-CG1 3.25Å; R124-I128 WeakPolarHBondContact O-CG1 3.39Å; R124-I128 PolarHBondContact O-N 3.04Å; I125-I128 PolarHBondContact O-N 2.95Å; I128-W130 PolarHBondContact O-N 2.96Å; I128-K131 WeakPolarHBondContact O-CB 3.25Å; I128-K131 PolarHBondContact O-N 3.37Å; I128-H132 PolarHBondContact O-CD2 2.78Å; I128-H132 VanDerWaalsContact O-CD2 3.28Å; I128-H132 PolarHBondContact O-N 3.36Å
129	C	96.7	Very high	96.4	Very high	1 Å²	1	76.8 Å²	76.8	1%	0.007	35%	0.354	C	S	.	.	H	α-helix	trans	-64.9	-39.1	-177.6	-72.5	0	0	0	0	112.2	I125 L126 H132 R133 L134 V136	I125-C129 WeakPolarHBondContact O-CB 3.42Å; I125-C129 PolarHBondContact O-N 3.36Å; I125-C129 PolarHBondContact O-SG 3.19Å; L126-C129 PolarHBondContact O-N 3.09Å; C129-H132 CarbonylContact O-C 3.5Å; C129-H132 PolarHBondContact O-N 3.04Å; C129-R133 PolarHBondContact O-N 3.14Å; C129-R133 VanDerWaalsContact O-N 3.1Å; C129-L134 HydrophobicContact CB-CB 4.43Å; C129-L134 WeakPolarHBondContact CB-O 3.41Å; C129-L134 PolarHBondContact O-N 3.49Å; C129-V136 HydrophobicContact CB-CB 4.03Å; C129-V136 HydrophobicContact CB-CG1 3.61Å
130	W	96.7	Very high	96.5	Very high	211 Å²	211	73.1 Å²	73.1	80%	0.799	33%	0.331	S	S	*	.	H	α-helix	trans	-61.9	-43.9	175.8	-179.2	64	0	0	0	112.3	L126 I128 H132 R133	L126-W130 WeakPolarHBondContact O-CB 3.44Å; L126-W130 PolarHBondContact O-N 2.99Å; I128-W130 PolarHBondContact O-N 2.96Å; W130-H132 PolarHBondContact O-N 3.25Å; W130-R133 PolarHBondContact O-N 2.71Å; W130-R133 VanDerWaalsContact O-N 3.07Å
131	K	97.2	Very high	96.6	Very high	133 Å²	133	72.1 Å²	72.1	58%	0.578	33%	0.325	S	S	*	.	H	α-helix	trans	-55.8	-35.8	175.2	-179.5	-172.1	174	-162.7	0	112.4	E93 N127 I128	E93-K131 IonicContact OE1-NZ 3.25Å; E93-K131 PolarHBondContact OE1-NZ 3.44Å; E93-K131 IonicContact OE2-NZ 2.69Å; E93-K131 PolarHBondContact OE2-NZ 3.44Å; N127-K131 WeakPolarHBondContact O-CB 3.18Å; N127-K131 PolarHBondContact O-N 3.41Å; N127-K131 VanDerWaalsContact O-N 3.11Å; I128-K131 WeakPolarHBondContact O-CB 3.25Å; I128-K131 PolarHBondContact O-N 3.37Å
132	H	96	Very high	96.4	Very high	68 Å²	68	70.5 Å²	70.5	32%	0.315	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	8.6	-179.7	-70	-71.9	0	0	0	114.4	E93 F100 I128 C129 W130 L134	E93-H132 IonicContact OE1-CD2 2.71Å; E93-H132 IonicContact OE1-CE1 3.81Å; E93-H132 PolarHBondContact OE1-CE1 3.21Å; E93-H132 IonicContact OE1-NE2 2.86Å; E93-H132 PolarHBondContact OE1-NE2 3.2Å; F100-H132 HydrophobicContact CB-CB 4.23Å; F100-H132 HydrophobicContact CD1-CB 3.41Å; F100-H132 VanDerWaalsContact CD1-CB 3.41Å; F100-H132 AromaticContact CD1-CG 3.66Å; F100-H132 HydrophobicContact CD2-CB 4.33Å; F100-H132 AromaticContact CD2-CD2 3.57Å; F100-H132 AromaticContact CD2-CE1 3.81Å; F100-H132 AromaticContact CD2-CG 3.65Å; F100-H132 AromaticContact CD2-ND1 3.83Å; F100-H132 AromaticContact CD2-NE2 3.67Å; F100-H132 HydrophobicContact CE1-CB 3.79Å; F100-H132 AromaticContact CE1-CD2 3.87Å; F100-H132 AromaticContact CE1-CG 3.95Å; F100-H132 AromaticContact CE2-CD2 3.43Å; F100-H132 VanDerWaalsContact CE2-CD2 3.43Å; F100-H132 WeakPolarHBondContact CE2-CD2 3.24Å; F100-H132 AromaticContact CE2-CG 3.96Å; F100-H132 AromaticContact CE2-NE2 3.65Å; F100-H132 HydrophobicContact CG-CB 3.74Å; F100-H132 AromaticContact CG-CD2 3.89Å; F100-H132 AromaticContact CG-CG 3.53Å; F100-H132 AromaticContact CG-ND1 3.82Å; F100-H132 HydrophobicContact CZ-CB 4.41Å; F100-H132 AromaticContact CZ-CD2 3.59Å; I128-H132 PolarHBondContact O-CD2 2.78Å; I128-H132 VanDerWaalsContact O-CD2 3.28Å; I128-H132 PolarHBondContact O-N 3.36Å; C129-H132 CarbonylContact O-C 3.5Å; C129-H132 PolarHBondContact O-N 3.04Å; W130-H132 PolarHBondContact O-N 3.25Å; H132-L134 PolarHBondContact O-N 2.78Å
133	R	95.6	Very high	96.4	Very high	230 Å²	230	70.3 Å²	70.3	87%	0.868	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	35.4	-177.1	-53.2	-177.3	-179.1	-158.5	-0.4	113.3	C129 W130 P135	C129-R133 PolarHBondContact O-N 3.14Å; C129-R133 VanDerWaalsContact O-N 3.1Å; W130-R133 PolarHBondContact O-N 2.71Å; W130-R133 VanDerWaalsContact O-N 3.07Å; R133-P135 WeakPolarHBondContact O-CD 3.27Å
134	L	96.1	Very high	96.4	Very high	12 Å²	12	64.7 Å²	64.7	6%	0.063	29%	0.291	C	S	.	.			trans	-101.2	111.3	178.7	179.7	62.1	0	0	0	109.5	F99 F100 L106 L109 C129 H132 V136	F99-L134 HydrophobicContact CB-CD2 3.75Å; F100-L134 HydrophobicContact CD1-CB 4.4Å; F100-L134 HydrophobicContact CD1-CD2 3.86Å; F100-L134 HydrophobicContact CE1-CB 4.48Å; F100-L134 HydrophobicContact CE1-CD2 3.71Å; L106-L134 HydrophobicContact CB-CD1 3.79Å; L106-L134 HydrophobicContact CD1-CD1 3.95Å; L106-L134 HydrophobicContact CG-CD1 4.42Å; L109-L134 HydrophobicContact CB-CD1 4.18Å; L109-L134 HydrophobicContact CB-CD2 4.05Å; L109-L134 HydrophobicContact CB-CG 4.15Å; L109-L134 HydrophobicContact CD2-CD2 3.66Å; L109-L134 HydrophobicContact CG-CD2 4.48Å; C129-L134 HydrophobicContact CB-CB 4.43Å; C129-L134 WeakPolarHBondContact CB-O 3.41Å; C129-L134 PolarHBondContact O-N 3.49Å; H132-L134 PolarHBondContact O-N 2.78Å; L134-V136 PolarHBondContact O-N 2.66Å
135	P	97.1	Very high	96.4	Very high	66 Å²	66	58.8 Å²	58.8	43%	0.429	27%	0.27	S	S	.	.			trans	-62.7	133.5	172	-20.4	34.1	0	0	0	110	E107 L109 R133	E107-P135 WeakPolarHBondContact O-CB 3.46Å; E107-P135 WeakPolarHBondContact O-CG 3.39Å; L109-P135 PolarHBondContact N-O 2.79Å; R133-P135 WeakPolarHBondContact O-CD 3.27Å
136	V	97.8	Very high	96.3	Very high	27 Å²	27	60.1 Å²	60.1	16%	0.164	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138.8	-173.8	68.2	0	0	0	0	111.7	L109 I111 I125 L126 C129 L134 V138	L109-V136 HydrophobicContact CB-CG2 4.43Å; L109-V136 HydrophobicContact CD2-CG2 4.42Å; L109-V136 HydrophobicContact CG-CG2 4.42Å; L109-V136 CarbonylContact O-C 3.55Å; L109-V136 VanDerWaalsContact O-CA 3.26Å; L109-V136 WeakPolarHBondContact O-CA 3.28Å; L109-V136 WeakPolarHBondContact O-CG2 3.42Å; I111-V136 HydrophobicContact CD1-CG2 3.61Å; I111-V136 HydrophobicContact CG1-CG2 3.94Å; I125-V136 HydrophobicContact CG2-CG2 4.32Å; L126-V136 HydrophobicContact CD2-CG1 3.83Å; C129-V136 HydrophobicContact CB-CB 4.03Å; C129-V136 HydrophobicContact CB-CG1 3.61Å; L134-V136 PolarHBondContact O-N 2.66Å; V136-V138 HydrophobicContact CG2-CG2 4.33Å
137	E	97.7	Very high	96.2	Very high	96 Å²	96	58.2 Å²	58.2	45%	0.449	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.1	169.6	-68.9	-169.5	170.2	0	0	110	V108 L109 I110 I111 M139	V108-E137 HydrophobicContact CG2-CG 4.12Å; L109-E137 PolarHBondContact O-N 3.09Å; I110-E137 CarbonylContact C-O 3.46Å; I110-E137 WeakPolarHBondContact CA-O 3.34Å; I111-E137 PolarHBondContact N-O 3.32Å; E137-M139 HydrophobicContact CB-CE 3.83Å; E137-M139 VanDerWaalsContact OE2-CE 3.31Å; E137-M139 WeakPolarHBondContact OE2-CE 3.19Å
138	V	97.2	Very high	96.2	Very high	27 Å²	27	54.3 Å²	54.3	16%	0.164	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.6	-178.6	-176.1	0	0	0	0	109.2	I111 V120 Y122 I125 V136	I111-V138 HydrophobicContact CB-CG1 4.5Å; I111-V138 HydrophobicContact CB-CG2 4.2Å; I111-V138 HydrophobicContact CD1-CG2 4.39Å; I111-V138 HydrophobicContact CG2-CG1 4.42Å; V120-V138 HydrophobicContact CG1-CG1 4.39Å; V120-V138 HydrophobicContact CG2-CG1 4.42Å; Y122-V138 HydrophobicContact CD1-CB 3.97Å; Y122-V138 HydrophobicContact CD1-CG1 4.04Å; Y122-V138 HydrophobicContact CD1-CG2 4.43Å; Y122-V138 HydrophobicContact CE1-CB 3.69Å; Y122-V138 HydrophobicContact CE1-CG1 3.57Å; I125-V138 HydrophobicContact CD1-CG2 4.42Å; I125-V138 HydrophobicContact CG2-CG2 3.94Å; V136-V138 HydrophobicContact CG2-CG2 4.33Å
139	M	96.2	Very high	96.1	Very high	35 Å²	35	53.5 Å²	53.5	17%	0.172	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	177.4	-175.2	60.3	-174.8	74.1	0	0	112.1	I110 I111 G112 K113 E137 H143 A144 T147	I110-M139 HydrophobicContact CD1-CE 4.44Å; I110-M139 HydrophobicContact CG2-CE 4.14Å; I110-M139 HydrophobicContact CG2-CG 4.21Å; I110-M139 HydrophobicContact CG2-SD 4.06Å; I111-M139 PolarHBondContact O-N 3.24Å; G112-M139 WeakPolarHBondContact CA-O 3.42Å; K113-M139 WeakPolarHBondContact CG-O 3.46Å; K113-M139 PolarHBondContact N-O 3.03Å; E137-M139 HydrophobicContact CB-CE 3.83Å; E137-M139 VanDerWaalsContact OE2-CE 3.31Å; E137-M139 WeakPolarHBondContact OE2-CE 3.19Å; M139-H143 HydrophobicContact CB-CB 4.36Å; M139-H143 HydrophobicContact CG-CB 4.2Å; M139-H143 HydrophobicContact SD-CB 3.82Å; M139-A144 HydrophobicContact CG-CB 3.73Å; M139-A144 WeakPolarHBondContact SD-CA 3.44Å; M139-A144 HydrophobicContact SD-CB 4.2Å; M139-A144 PolarHBondContact SD-N 3.43Å; M139-A144 VanDerWaalsContact SD-N 3.39Å; M139-T147 HydrophobicContact CE-CG2 4.47Å
140	S	94.5	Very high	96.1	Very high	6 Å²	6	56.9 Å²	56.9	4%	0.042	27%	0.265	C	S	.	.			trans	-63.1	151.9	172.3	73.5	0	0	0	0	110	H142 H143 A144	S140-H142 PolarHBondContact O-N 3.16Å; S140-H143 PolarHBondContact O-N 3.31Å; S140-H143 PolarHBondContact OG-CD2 2.89Å; S140-H143 PolarHBondContact OG-N 3.22Å; S140-A144 WeakPolarHBondContact O-CB 3.49Å; S140-A144 PolarHBondContact O-N 3.45Å
141	T	95.5	Very high	96	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-33.8	-177.3	-70.2	0	0	0	0	112.4	F61 G112 G114 A144 I145 V162 I163	F61-T141 HydrophobicContact CE1-CG2 3.67Å; F61-T141 HydrophobicContact CZ-CG2 3.98Å; G112-T141 PolarHBondContact O-OG1 2.95Å; G114-T141 WeakPolarHBondContact CA-OG1 3.1Å; G114-T141 PolarHBondContact N-OG1 3.43Å; G114-T141 PolarHBondContact O-N 3.5Å; G114-T141 PolarHBondContact O-OG1 3.3Å; T141-A144 PolarHBondContact O-N 3.36Å; T141-I145 HydrophobicContact CG2-CD1 3.96Å; T141-I145 HydrophobicContact CG2-CG1 4.45Å; T141-I145 WeakPolarHBondContact O-CB 3.28Å; T141-I145 VanDerWaalsContact O-CG1 3.3Å; T141-I145 WeakPolarHBondContact O-CG1 3.3Å; T141-I145 PolarHBondContact O-N 2.61Å; T141-V162 HydrophobicContact CG2-CB 4.32Å; T141-I163 WeakPolarHBondContact CB-O 3.37Å; T141-I163 WeakPolarHBondContact CG2-O 3.48Å; T141-I163 PolarHBondContact OG1-O 3.49Å
142	H	92.9	Very high	95.8	Very high	26 Å²	26	41.6 Å²	41.6	12%	0.12	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-51.6	175.2	175.3	42.2	0	0	0	112.4	G38 S140 A144 I145 G146 Y171	G38-H142 PolarHBondContact O-CE1 2.82Å; G38-H142 PolarHBondContact O-ND1 2.92Å; S140-H142 PolarHBondContact O-N 3.16Å; H142-A144 VanDerWaalsContact C-N 3.33Å; H142-A144 PolarHBondContact O-N 2.87Å; H142-I145 PolarHBondContact O-N 2.88Å; H142-G146 PolarHBondContact O-N 2.9Å; H142-Y171 HydrophobicContact CB-CD1 4.3Å; H142-Y171 HydrophobicContact CB-CE1 3.53Å; H142-Y171 HydrophobicContact CB-CE2 4.05Å; H142-Y171 VanDerWaalsContact CB-CZ 3.4Å; H142-Y171 WeakPolarHBondContact CB-OH 3.37Å; H142-Y171 AromaticContact CD2-CD1 3.67Å; H142-Y171 AromaticContact CD2-CD2 3.76Å; H142-Y171 AromaticContact CD2-CE1 3.78Å; H142-Y171 AromaticContact CD2-CE2 3.87Å; H142-Y171 AromaticContact CD2-CG 3.68Å; H142-Y171 AromaticContact CD2-CZ 3.9Å; H142-Y171 AromaticContact CG-CE1 3.86Å; H142-Y171 AromaticContact CG-CE2 3.8Å; H142-Y171 AromaticContact CG-CZ 3.66Å
143	H	94.8	Very high	95.7	Very high	103 Å²	103	39.1 Å²	39.1	48%	0.477	20%	0.196	S	C	.	.	H	α-helix	trans	-65.9	-36.6	176.6	-65.9	-50.1	0	0	0	112.2	M139 S140 I145 G146 T147	M139-H143 HydrophobicContact CB-CB 4.36Å; M139-H143 HydrophobicContact CG-CB 4.2Å; M139-H143 HydrophobicContact SD-CB 3.82Å; S140-H143 PolarHBondContact O-N 3.31Å; S140-H143 PolarHBondContact OG-CD2 2.89Å; S140-H143 PolarHBondContact OG-N 3.22Å; H143-I145 VanDerWaalsContact C-N 3.33Å; H143-I145 PolarHBondContact O-N 2.66Å; H143-G146 PolarHBondContact O-N 3.25Å; H143-T147 WeakPolarHBondContact O-CB 3.42Å; H143-T147 PolarHBondContact O-N 3.08Å; H143-T147 PolarHBondContact O-OG1 2.82Å
144	A	97	Very high	95.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-43.7	178	0	0	0	0	0	111.8	I110 M139 S140 T141 H142 F148 V162	I110-A144 HydrophobicContact CG2-CB 3.6Å; M139-A144 HydrophobicContact CG-CB 3.73Å; M139-A144 WeakPolarHBondContact SD-CA 3.44Å; M139-A144 HydrophobicContact SD-CB 4.2Å; M139-A144 PolarHBondContact SD-N 3.43Å; M139-A144 VanDerWaalsContact SD-N 3.39Å; S140-A144 WeakPolarHBondContact O-CB 3.49Å; S140-A144 PolarHBondContact O-N 3.45Å; T141-A144 PolarHBondContact O-N 3.36Å; H142-A144 VanDerWaalsContact C-N 3.33Å; H142-A144 PolarHBondContact O-N 2.87Å; A144-F148 VanDerWaalsContact O-CB 3.27Å; A144-F148 WeakPolarHBondContact O-CB 3.3Å; A144-F148 PolarHBondContact O-N 3.35Å; A144-V162 HydrophobicContact CB-CG1 3.99Å
145	I	95.9	Very high	95.2	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-49.8	176.3	-78.8	169.3	0	0	0	111.1	F53 Y56 F61 T141 H142 H143 F148 N149	F53-I145 HydrophobicContact CB-CB 4.44Å; F53-I145 HydrophobicContact CB-CD1 4.49Å; F53-I145 HydrophobicContact CB-CG1 4.14Å; F53-I145 HydrophobicContact CB-CG2 3.68Å; F53-I145 HydrophobicContact CD2-CG1 4.03Å; F53-I145 HydrophobicContact CG-CG1 4.03Å; F53-I145 HydrophobicContact CG-CG2 4.42Å; Y56-I145 HydrophobicContact CD1-CD1 3.4Å; Y56-I145 HydrophobicContact CE1-CD1 4.07Å; Y56-I145 HydrophobicContact CG-CD1 3.79Å; F61-I145 HydrophobicContact CD1-CD1 3.96Å; F61-I145 HydrophobicContact CE1-CD1 3.85Å; T141-I145 HydrophobicContact CG2-CD1 3.96Å; T141-I145 HydrophobicContact CG2-CG1 4.45Å; T141-I145 WeakPolarHBondContact O-CB 3.28Å; T141-I145 VanDerWaalsContact O-CG1 3.3Å; T141-I145 WeakPolarHBondContact O-CG1 3.3Å; T141-I145 PolarHBondContact O-N 2.61Å; H142-I145 PolarHBondContact O-N 2.88Å; H143-I145 VanDerWaalsContact C-N 3.33Å; H143-I145 PolarHBondContact O-N 2.66Å; I145-F148 PolarHBondContact O-N 2.67Å; I145-N149 WeakPolarHBondContact O-CB 3.4Å; I145-N149 PolarHBondContact O-N 2.97Å
146	G	95.1	Very high	95	Very high	29 Å²	29	41 Å²	41	30%	0.299	20%	0.198	S	C	.	.	H	α-helix	trans	-61.5	-47.6	-179.4	0	0	0	0	0	111.9	H142 H143 N149 F150	H142-G146 PolarHBondContact O-N 2.9Å; H143-G146 PolarHBondContact O-N 3.25Å; G146-N149 PolarHBondContact O-N 2.89Å; G146-F150 WeakPolarHBondContact O-CB 3.3Å; G146-F150 PolarHBondContact O-N 2.84Å
147	T	96.7	Very high	94.8	Very high	42 Å²	42	41.2 Å²	41.2	26%	0.258	20%	0.196	S	C	.	.	H	α-helix	trans	-64.3	-43.8	-179.5	-48.1	0	0	0	0	111.5	I110 M139 H143 F150 L151	I110-T147 HydrophobicContact CD1-CG2 3.28Å; M139-T147 HydrophobicContact CE-CG2 4.47Å; H143-T147 WeakPolarHBondContact O-CB 3.42Å; H143-T147 PolarHBondContact O-N 3.08Å; H143-T147 PolarHBondContact O-OG1 2.82Å; T147-F150 PolarHBondContact O-N 3.15Å; T147-L151 HydrophobicContact CG2-CD1 3.94Å; T147-L151 HydrophobicContact CG2-CG 4.34Å; T147-L151 WeakPolarHBondContact O-CB 3.46Å; T147-L151 VanDerWaalsContact O-CG 3.25Å; T147-L151 WeakPolarHBondContact O-CG 3.42Å; T147-L151 PolarHBondContact O-N 2.82Å
148	F	97	Very high	94.7	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-48.3	174.6	172	-97.4	0	0	0	111.7	M51 F53 A75 A144 I145 F150 L151 N152 V158 A160	M51-F148 WeakPolarHBondContact O-CE1 3.31Å; F53-F148 AromaticContact CD2-CD1 3.77Å; F53-F148 HydrophobicContact CD2-CD1 3.77Å; F53-F148 HydrophobicContact CD2-CE1 4.2Å; F53-F148 AromaticContact CE2-CD1 3.88Å; F53-F148 HydrophobicContact CE2-CD1 3.88Å; F53-F148 HydrophobicContact CE2-CE1 4.16Å; F53-F148 HydrophobicContact CE2-CG 4.49Å; A75-F148 HydrophobicContact CB-CE1 3.91Å; A75-F148 HydrophobicContact CB-CE2 4.21Å; A75-F148 HydrophobicContact CB-CZ 3.7Å; A144-F148 VanDerWaalsContact O-CB 3.27Å; A144-F148 WeakPolarHBondContact O-CB 3.3Å; A144-F148 PolarHBondContact O-N 3.35Å; I145-F148 PolarHBondContact O-N 2.67Å; F148-F150 VanDerWaalsContact C-N 3.32Å; F148-F150 PolarHBondContact O-N 2.84Å; F148-L151 PolarHBondContact O-N 3.26Å; F148-N152 HydrophobicContact CE1-CB 4.49Å; F148-N152 HydrophobicContact CZ-CB 4.38Å; F148-N152 WeakPolarHBondContact O-CB 3.46Å; F148-N152 PolarHBondContact O-N 3.28Å; F148-V158 HydrophobicContact CD2-CG1 3.98Å; F148-V158 HydrophobicContact CD2-CG2 4.11Å; F148-V158 HydrophobicContact CE2-CG1 4.03Å; F148-A160 HydrophobicContact CB-CB 3.9Å; F148-A160 HydrophobicContact CD2-CB 3.51Å; F148-A160 HydrophobicContact CE2-CB 4.2Å; F148-A160 HydrophobicContact CG-CB 3.72Å
149	N	95.6	Very high	94.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.011	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-44.8	-179.7	-78.9	-0.8	0	0	0	111.4	V44 Y46 Y52 F53 I145 G146 N152 S153	V44-N149 HydrophobicContact CG1-CB 4.35Å; Y46-N149 HydrophobicContact CE1-CB 4.36Å; Y46-N149 PolarHBondContact OH-ND2 2.84Å; Y52-N149 WeakPolarHBondContact CA-OD1 3.42Å; Y52-N149 HydrophobicContact CD1-CB 4.15Å; F53-N149 PolarHBondContact N-OD1 2.78Å; F53-N149 PolarHBondContact O-ND2 2.88Å; I145-N149 WeakPolarHBondContact O-CB 3.4Å; I145-N149 PolarHBondContact O-N 2.97Å; G146-N149 PolarHBondContact O-N 2.89Å; N149-N152 PolarHBondContact O-N 2.81Å; N149-S153 WeakPolarHBondContact O-CB 3.44Å; N149-S153 PolarHBondContact O-N 3.24Å
150	F	95.7	Very high	94.8	Very high	73 Å²	73	33.8 Å²	33.8	32%	0.32	16%	0.159	S	C	.	.	H	α-helix	trans	-59.6	-57.1	177.3	178.4	-95.9	0	0	0	111.4	V44 G146 T147 F148 N152 S153 E154	V44-F150 HydrophobicContact CG2-CB 4.26Å; G146-F150 WeakPolarHBondContact O-CB 3.3Å; G146-F150 PolarHBondContact O-N 2.84Å; T147-F150 PolarHBondContact O-N 3.15Å; F148-F150 VanDerWaalsContact C-N 3.32Å; F148-F150 PolarHBondContact O-N 2.84Å; F150-N152 VanDerWaalsContact C-N 3.27Å; F150-N152 PolarHBondContact O-N 3.16Å; F150-S153 WeakPolarHBondContact O-CB 3.49Å; F150-S153 PolarHBondContact O-N 3.32Å; F150-S153 PolarHBondContact O-OG 2.94Å; F150-E154 VanDerWaalsContact CE1-CD 3.45Å; F150-E154 HydrophobicContact CE1-CG 4.18Å; F150-E154 WeakPolarHBondContact CE1-OE1 3.4Å; F150-E154 HydrophobicContact CZ-CG 4.23Å; F150-E154 WeakPolarHBondContact CZ-OE1 3.14Å; F150-E154 PolarHBondContact O-N 3.15Å
151	L	95.3	Very high	94.9	Very high	15 Å²	15	33.5 Å²	33.5	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-37.1	-178.9	-66.8	174.6	0	0	0	112.4	V108 I110 T147 F148 E154 R155 R156 V158	V108-L151 HydrophobicContact CG1-CD1 3.87Å; I110-L151 HydrophobicContact CD1-CD1 3.82Å; T147-L151 HydrophobicContact CG2-CD1 3.94Å; T147-L151 HydrophobicContact CG2-CG 4.34Å; T147-L151 WeakPolarHBondContact O-CB 3.46Å; T147-L151 VanDerWaalsContact O-CG 3.25Å; T147-L151 WeakPolarHBondContact O-CG 3.42Å; T147-L151 PolarHBondContact O-N 2.82Å; F148-L151 PolarHBondContact O-N 3.26Å; L151-E154 PolarHBondContact O-N 3.31Å; L151-R155 PolarHBondContact O-N 3.39Å; L151-R156 WeakPolarHBondContact O-CB 3.28Å; L151-R156 PolarHBondContact O-N 3.03Å; L151-R156 VanDerWaalsContact O-N 3.15Å; L151-V158 HydrophobicContact CB-CB 4.21Å; L151-V158 HydrophobicContact CB-CG1 3.85Å; L151-V158 HydrophobicContact CB-CG2 4.37Å; L151-V158 HydrophobicContact CD1-CB 4.49Å; L151-V158 HydrophobicContact CD1-CG2 3.97Å
152	N	93.2	Very high	94.9	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-68.8	-36.7	176.7	-167.1	34.3	0	0	0	111.8	M51 Y52 P77 F148 N149 F150 E154 R155 V158	M51-N152 PolarHBondContact O-ND2 2.82Å; Y52-N152 HydrophobicContact CE1-CB 4.11Å; P77-N152 WeakPolarHBondContact CA-OD1 3.33Å; P77-N152 WeakPolarHBondContact CB-OD1 3.18Å; P77-N152 PolarHBondContact O-ND2 2.98Å; F148-N152 HydrophobicContact CE1-CB 4.49Å; F148-N152 HydrophobicContact CZ-CB 4.38Å; F148-N152 WeakPolarHBondContact O-CB 3.46Å; F148-N152 PolarHBondContact O-N 3.28Å; N149-N152 PolarHBondContact O-N 2.81Å; F150-N152 VanDerWaalsContact C-N 3.27Å; F150-N152 PolarHBondContact O-N 3.16Å; N152-E154 VanDerWaalsContact C-N 3.26Å; N152-E154 PolarHBondContact O-N 3.13Å; N152-R155 PolarHBondContact O-N 3.43Å; N152-V158 HydrophobicContact CB-CG1 4.13Å
153	S	92.8	Very high	95.1	Very high	16 Å²	16	32.7 Å²	32.7	11%	0.112	15%	0.153	C	C	.	.	H	α-helix	trans	-65.8	-30.4	174.4	78.4	0	0	0	0	112.5	N149 F150 R155	N149-S153 WeakPolarHBondContact O-CB 3.44Å; N149-S153 PolarHBondContact O-N 3.24Å; F150-S153 WeakPolarHBondContact O-CB 3.49Å; F150-S153 PolarHBondContact O-N 3.32Å; F150-S153 PolarHBondContact O-OG 2.94Å; S153-R155 PolarHBondContact O-N 3.3Å
154	E	91.8	Very high	95.1	Very high	101 Å²	101	28.4 Å²	28.4	47%	0.472	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	5.2	171.3	-66.2	-166.3	145.5	0	0	113.9	F150 L151 N152 R156	F150-E154 VanDerWaalsContact CE1-CD 3.45Å; F150-E154 HydrophobicContact CE1-CG 4.18Å; F150-E154 WeakPolarHBondContact CE1-OE1 3.4Å; F150-E154 HydrophobicContact CZ-CG 4.23Å; F150-E154 WeakPolarHBondContact CZ-OE1 3.14Å; F150-E154 PolarHBondContact O-N 3.15Å; L151-E154 PolarHBondContact O-N 3.31Å; N152-E154 VanDerWaalsContact C-N 3.26Å; N152-E154 PolarHBondContact O-N 3.13Å; E154-R156 HydrophobicContact CB-CG 4.17Å; E154-R156 PolarHBondContact O-N 2.86Å
155	R	90.5	Very high	94.9	Very high	154 Å²	154	28.4 Å²	28.4	58%	0.581	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	21.1	-179.3	-51.5	-62.2	-157.8	169.8	-2.6	114.7	T48 P49 L151 N152 S153	T48-R155 VanDerWaalsContact CG2-NH2 3.26Å; P49-R155 VanDerWaalsContact CG-NH2 3.27Å; P49-R155 PolarHBondContact O-NH1 3.09Å; L151-R155 PolarHBondContact O-N 3.39Å; N152-R155 PolarHBondContact O-N 3.43Å; S153-R155 PolarHBondContact O-N 3.3Å
156	R	93	Very high	94.6	Very high	93 Å²	93	35.9 Å²	35.9	35%	0.351	16%	0.162	S	C	.	.			trans	-74.5	148.8	174.8	-62	-173.3	61.5	-171.1	-4.1	111	E107 L151 E154 V158	E107-R156 IonicContact OE2-CZ 2.8Å; E107-R156 VanDerWaalsContact OE2-CZ 3.28Å; E107-R156 IonicContact OE2-NE 2.78Å; E107-R156 PolarHBondContact OE2-NE 2.86Å; E107-R156 IonicContact OE2-NH2 3.28Å; E107-R156 PolarHBondContact OE2-NH2 3.32Å; L151-R156 WeakPolarHBondContact O-CB 3.28Å; L151-R156 PolarHBondContact O-N 3.03Å; L151-R156 VanDerWaalsContact O-N 3.15Å; E154-R156 HydrophobicContact CB-CG 4.17Å; E154-R156 PolarHBondContact O-N 2.86Å; R156-V158 VanDerWaalsContact C-N 3.28Å; R156-V158 PolarHBondContact O-N 3.43Å
157	Y	93.1	Very high	94.1	Very high	32 Å²	32	43.7 Å²	43.7	13%	0.125	18%	0.183	C	C	.	.			trans	-83.5	77	177.3	-164.4	-117.1	0	0	0	111	P77 P104 P105 L106 E107	P77-Y157 HydrophobicContact CG-CD2 4Å; P77-Y157 HydrophobicContact CG-CE2 4.29Å; P104-Y157 HydrophobicContact CG-CD1 3.91Å; P104-Y157 HydrophobicContact CG-CE1 3.96Å; P104-Y157 HydrophobicContact CG-CG 4.38Å; P104-Y157 WeakPolarHBondContact O-CE1 3.12Å; P105-Y157 WeakPolarHBondContact O-CD1 3.14Å; L106-Y157 HydrophobicContact CD2-CD1 3.83Å; L106-Y157 HydrophobicContact CD2-CE1 3.62Å; L106-Y157 HydrophobicContact CG-CE1 4.31Å; E107-Y157 PolarHBondContact N-O 2.77Å; E107-Y157 PolarHBondContact OE1-N 3.07Å
158	V	95.5	Very high	93.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	147.6	-178.3	61.4	0	0	0	0	111.6	P77 V108 I110 F148 L151 N152 R156	P77-V158 VanDerWaalsContact CD-O 3.25Å; P77-V158 WeakPolarHBondContact CD-O 3.49Å; V108-V158 HydrophobicContact CG1-CB 4.26Å; V108-V158 HydrophobicContact CG1-CG2 3.73Å; I110-V158 HydrophobicContact CG1-CG2 4.3Å; F148-V158 HydrophobicContact CD2-CG1 3.98Å; F148-V158 HydrophobicContact CD2-CG2 4.11Å; F148-V158 HydrophobicContact CE2-CG1 4.03Å; L151-V158 HydrophobicContact CB-CB 4.21Å; L151-V158 HydrophobicContact CB-CG1 3.85Å; L151-V158 HydrophobicContact CB-CG2 4.37Å; L151-V158 HydrophobicContact CD1-CB 4.49Å; L151-V158 HydrophobicContact CD1-CG2 3.97Å; N152-V158 HydrophobicContact CB-CG1 4.13Å; R156-V158 VanDerWaalsContact C-N 3.28Å; R156-V158 PolarHBondContact O-N 3.43Å
159	A	96.5	Very high	92.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	155.2	164.8	0	0	0	0	0	110.4	A75 F76 F99 L106 V108 L109 I110	A75-A159 CarbonylContact O-C 3.41Å; A75-A159 VanDerWaalsContact O-CA 3.27Å; A75-A159 WeakPolarHBondContact O-CA 3.48Å; F76-A159 HydrophobicContact CD1-CB 4.06Å; F76-A159 HydrophobicContact CE1-CB 3.91Å; F76-A159 HydrophobicContact CG-CB 4.48Å; F76-A159 HydrophobicContact CZ-CB 4.16Å; F99-A159 HydrophobicContact CD1-CB 4.13Å; F99-A159 HydrophobicContact CE1-CB 4.03Å; L106-A159 HydrophobicContact CD1-CB 3.62Å; L106-A159 HydrophobicContact CD2-CB 3.69Å; L106-A159 HydrophobicContact CG-CB 4.33Å; V108-A159 PolarHBondContact O-N 3.27Å; L109-A159 WeakPolarHBondContact CA-O 3.27Å; L109-A159 HydrophobicContact CD1-CB 4.11Å; I110-A159 PolarHBondContact N-O 3.24Å
160	A	97.5	Very high	91.1	Very high	0 Å²	0	51 Å²	51	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.2	172.6	0	0	0	0	0	110.8	F53 A74 A75 I110 F148 V162	F53-A160 HydrophobicContact CE2-CB 4.48Å; A74-A160 CarbonylContact C-O 3.52Å; A74-A160 WeakPolarHBondContact CA-O 3.46Å; A75-A160 PolarHBondContact N-O 2.97Å; A75-A160 PolarHBondContact O-N 3.26Å; I110-A160 HydrophobicContact CB-CB 4.45Å; I110-A160 CarbonylContact O-C 3.33Å; I110-A160 WeakPolarHBondContact O-CA 3.19Å; F148-A160 HydrophobicContact CB-CB 3.9Å; F148-A160 HydrophobicContact CD2-CB 3.51Å; F148-A160 HydrophobicContact CE2-CB 4.2Å; F148-A160 HydrophobicContact CG-CB 3.72Å; A160-V162 HydrophobicContact CB-CG1 4.24Å
161	A	97	Very high	89.6	Confident	0 Å²	0	51 Å²	51	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	100.9	170.3	0	0	0	0	0	108.1	W83 F99 L109 I110 I111 G112	W83-A161 HydrophobicContact CD2-CB 4.28Å; W83-A161 HydrophobicContact CE3-CB 3.88Å; W83-A161 HydrophobicContact CH2-CB 3.87Å; W83-A161 HydrophobicContact CZ2-CB 4.26Å; W83-A161 HydrophobicContact CZ3-CB 3.66Å; F99-A161 HydrophobicContact CE2-CB 4.1Å; F99-A161 HydrophobicContact CZ-CB 3.83Å; L109-A161 HydrophobicContact CD1-CB 4.29Å; I110-A161 PolarHBondContact O-N 3.18Å; I111-A161 CarbonylContact C-O 3.21Å; I111-A161 VanDerWaalsContact CA-O 3.32Å; I111-A161 WeakPolarHBondContact CA-O 3.42Å; G112-A161 PolarHBondContact N-O 3.36Å
162	V	97	Very high	88.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.8	-168.2	-67.1	0	0	0	0	111.6	F53 F61 P72 C73 T141 A144 A160	F53-V162 HydrophobicContact CE1-CG2 4.07Å; F53-V162 HydrophobicContact CE2-CG2 4.22Å; F53-V162 HydrophobicContact CZ-CG2 3.55Å; F61-V162 HydrophobicContact CD1-CG2 4.31Å; F61-V162 HydrophobicContact CD2-CG2 4.28Å; F61-V162 HydrophobicContact CE1-CB 4.18Å; F61-V162 HydrophobicContact CE1-CG2 3.77Å; F61-V162 HydrophobicContact CE2-CB 4.39Å; F61-V162 HydrophobicContact CE2-CG2 3.68Å; F61-V162 HydrophobicContact CZ-CB 3.75Å; F61-V162 HydrophobicContact CZ-CG2 3.4Å; F61-V162 VanDerWaalsContact CZ-CG2 3.4Å; P72-V162 CarbonylContact C-O 3.4Å; P72-V162 VanDerWaalsContact CA-O 3.27Å; P72-V162 WeakPolarHBondContact CA-O 3.25Å; C73-V162 HydrophobicContact CB-CG2 3.99Å; C73-V162 PolarHBondContact N-O 2.72Å; C73-V162 VanDerWaalsContact O-CG2 3.31Å; C73-V162 WeakPolarHBondContact O-CG2 3.46Å; C73-V162 PolarHBondContact O-N 3.2Å; T141-V162 HydrophobicContact CG2-CB 4.32Å; A144-V162 HydrophobicContact CB-CG1 3.99Å; A160-V162 HydrophobicContact CB-CG1 4.24Å
163	I	96	Very high	87.3	Confident	9 Å²	9	60.5 Å²	60.5	5%	0.046	27%	0.267	C	S	.	.			trans	-105.5	128	174.8	-62	173.5	0	0	0	107.6	P72 W83 A88 G112 G114 T141	P72-I163 HydrophobicContact CB-CG1 4.21Å; P72-I163 HydrophobicContact CG-CG1 4.28Å; P72-I163 HydrophobicContact CG-CG2 4.36Å; W83-I163 HydrophobicContact CE3-CG1 4.45Å; W83-I163 HydrophobicContact CZ3-CD1 4.32Å; W83-I163 HydrophobicContact CZ3-CG1 4.03Å; A88-I163 HydrophobicContact CB-CD1 4.07Å; G112-I163 PolarHBondContact O-N 3.36Å; G114-I163 WeakPolarHBondContact CA-O 3.42Å; T141-I163 WeakPolarHBondContact CB-O 3.37Å; T141-I163 WeakPolarHBondContact CG2-O 3.48Å; T141-I163 PolarHBondContact OG1-O 3.49Å
164	P	94.8	Very high	86.4	Confident	13 Å²	13	62.6 Å²	62.6	8%	0.084	29%	0.286	C	S	.	.			trans	-63.2	133.3	177.8	25.9	-31.6	0	0	0	109.2	N57 F61	N57-P164 WeakPolarHBondContact O-CB 3.45Å; F61-P164 HydrophobicContact CE2-CB 4.17Å; F61-P164 HydrophobicContact CE2-CG 4.34Å; F61-P164 HydrophobicContact CZ-CB 4.06Å
165	P	93.1	Very high	85.6	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.006	29%	0.286	C	S	.	.			trans	-69.3	138	179	31.4	-35.2	0	0	0	109.5	Y56 P58 E115 R167 L168	Y56-P165 HydrophobicContact CD2-CG 3.83Å; Y56-P165 HydrophobicContact CE2-CG 3.7Å; P58-P165 VanDerWaalsContact CA-O 3.23Å; P58-P165 WeakPolarHBondContact CA-O 3.32Å; P58-P165 WeakPolarHBondContact CB-O 3.4Å; E115-P165 HydrophobicContact CG-CB 3.94Å; P165-R167 WeakPolarHBondContact CB-O 3.44Å; P165-R167 PolarHBondContact O-N 2.88Å; P165-L168 HydrophobicContact CG-CD2 4.19Å
166	R	89.6	Confident	85	Confident	164 Å²	164	59.5 Å²	59.5	62%	0.619	28%	0.281	S	S	*	.	S	Bend	trans	-71.7	-27.2	179.8	-49.5	173.4	173.4	-168.3	-3.9	110.7	D87 E115	D87-R166 IonicContact OD1-CZ 3.5Å; D87-R166 IonicContact OD1-NE 3.63Å; D87-R166 IonicContact OD1-NH2 3.11Å; D87-R166 PolarHBondContact OD1-NH2 3.11Å; D87-R166 IonicContact OD2-NH2 3.43Å; D87-R166 PolarHBondContact OD2-NH2 2.78Å; E115-R166 VanDerWaalsContact OE1-CA 3.24Å; E115-R166 WeakPolarHBondContact OE1-CA 3.39Å; E115-R166 WeakPolarHBondContact OE1-CB 3.48Å; E115-R166 PolarHBondContact OE1-N 2.76Å
167	R	85.5	Confident	84.5	Confident	194 Å²	194	60.5 Å²	60.5	73%	0.732	29%	0.287	S	S	*	.	S	Bend	trans	-127.4	137.8	172.5	-61.6	-179	179.7	179.5	-0.8	109.6	E115 P165 D169	E115-R167 HydrophobicContact CG-CB 4.47Å; E115-R167 WeakPolarHBondContact CG-O 3.43Å; E115-R167 PolarHBondContact OE1-N 3.4Å; P165-R167 WeakPolarHBondContact CB-O 3.44Å; P165-R167 PolarHBondContact O-N 2.88Å; R167-D169 PolarHBondContact O-N 3.38Å
168	L	81.7	Confident	84	Confident	102 Å²	102	61 Å²	61	53%	0.534	30%	0.298	S	S	.	.			trans	-75.5	115.1	172	-61	176.8	0	0	0	107.2	Y56 P165	Y56-L168 HydrophobicContact CD2-CD2 3.99Å; Y56-L168 HydrophobicContact CE2-CD2 3.52Å; P165-L168 HydrophobicContact CG-CD2 4.19Å
169	D	73.8	Confident	83.4	Confident	40 Å²	40	63.9 Å²	63.9	21%	0.214	32%	0.316	C	S	.	.			trans	-71.4	148.7	176.7	-62.9	-39.8	0	0	0	109.9	E115 T116 R167 Y171	E115-D169 VanDerWaalsContact CA-OD2 3.32Å; E115-D169 WeakPolarHBondContact CA-OD2 3.25Å; T116-D169 VanDerWaalsContact CB-OD2 3.24Å; T116-D169 WeakPolarHBondContact CB-OD2 3.45Å; T116-D169 PolarHBondContact N-OD2 3.26Å; T116-D169 PolarHBondContact OG1-OD2 3.4Å; R167-D169 PolarHBondContact O-N 3.38Å; D169-Y171 HydrophobicContact CB-CD1 4.14Å; D169-Y171 HydrophobicContact CB-CE1 3.69Å; D169-Y171 VanDerWaalsContact O-CD2 3.28Å; D169-Y171 WeakPolarHBondContact O-CD2 3.44Å; D169-Y171 WeakPolarHBondContact O-CE2 3.28Å
170	V	69.5	Low	82.9	Confident	57 Å²	57	69.3 Å²	69.3	35%	0.345	34%	0.341	S	S	.	.			trans	-83.5	112.3	166.2	-174.8	0	0	0	0	106.1	D175 E176	V170-D175 VanDerWaalsContact CG1-C 3.43Å; V170-D175 HydrophobicContact CG1-CB 3.26Å; V170-E176 HydrophobicContact CB-CG 3.83Å; V170-E176 HydrophobicContact CG1-CB 4.32Å; V170-E176 HydrophobicContact CG1-CG 3.69Å; V170-E176 VanDerWaalsContact CG1-N 3.31Å
171	Y	64.8	Low	82.4	Confident	72 Å²	72	74.9 Å²	74.9	28%	0.282	37%	0.37	S	S	.	.			trans	-87.8	-22.7	-167.1	-60.2	-72.7	0	0	0	113.5	Y56 H142 D169	Y56-Y171 WeakPolarHBondContact OH-CE2 3.38Å; Y56-Y171 PolarHBondContact OH-OH 3.24Å; H142-Y171 HydrophobicContact CB-CD1 4.3Å; H142-Y171 HydrophobicContact CB-CE1 3.53Å; H142-Y171 HydrophobicContact CB-CE2 4.05Å; H142-Y171 VanDerWaalsContact CB-CZ 3.4Å; H142-Y171 WeakPolarHBondContact CB-OH 3.37Å; H142-Y171 AromaticContact CD2-CD1 3.67Å; H142-Y171 AromaticContact CD2-CD2 3.76Å; H142-Y171 AromaticContact CD2-CE1 3.78Å; H142-Y171 AromaticContact CD2-CE2 3.87Å; H142-Y171 AromaticContact CD2-CG 3.68Å; H142-Y171 AromaticContact CD2-CZ 3.9Å; H142-Y171 AromaticContact CG-CE1 3.86Å; H142-Y171 AromaticContact CG-CE2 3.8Å; H142-Y171 AromaticContact CG-CZ 3.66Å; D169-Y171 HydrophobicContact CB-CD1 4.14Å; D169-Y171 HydrophobicContact CB-CE1 3.69Å; D169-Y171 VanDerWaalsContact O-CD2 3.28Å; D169-Y171 WeakPolarHBondContact O-CD2 3.44Å; D169-Y171 WeakPolarHBondContact O-CE2 3.28Å
172	D	69.3	Low	81.9	Confident	97 Å²	97	79.8 Å²	79.8	52%	0.519	40%	0.396	S	S	.	.			trans	-106.3	135	-176.1	-141.3	-24	0	0	0	110.6	A174 D175 E176	D172-A174 PolarHBondContact O-N 3.3Å; D172-D175 HydrophobicContact CB-CB 4.04Å; D172-D175 CarbonylContact O-C 3.57Å; D172-D175 WeakPolarHBondContact O-CA 3.27Å; D172-D175 WeakPolarHBondContact O-CB 3.34Å; D172-D175 PolarHBondContact O-N 2.93Å; D172-E176 PolarHBondContact O-N 2.97Å
173	E	70.6	Confident	81.4	Confident	124 Å²	124	85 Å²	85	58%	0.579	42%	0.423	S	S	*	.	H	α-helix	trans	-62.4	-30.4	178.3	-165.3	-172.2	154	0	0	110.4	E176 K177	E173-E176 PolarHBondContact O-N 3.37Å; E173-K177 WeakPolarHBondContact O-CB 3.35Å; E173-K177 VanDerWaalsContact O-CG 3.28Å; E173-K177 WeakPolarHBondContact O-CG 3.24Å; E173-K177 PolarHBondContact O-N 3.38Å; E173-K177 VanDerWaalsContact OE1-CE 3.24Å; E173-K177 WeakPolarHBondContact OE1-CE 3.47Å; E173-K177 IonicContact OE1-NZ 3.48Å; E173-K177 PolarHBondContact OE1-NZ 3.07Å
174	A	74	Confident	81	Confident	61 Å²	61	87.5 Å²	87.5	50%	0.504	44%	0.437	S	S	.	.	H	α-helix	trans	-64	-40.8	171.3	0	0	0	0	0	111.9	D172 K177 A178	D172-A174 PolarHBondContact O-N 3.3Å; A174-K177 PolarHBondContact O-N 2.94Å; A174-A178 VanDerWaalsContact O-CB 3.3Å; A174-A178 WeakPolarHBondContact O-CB 3.47Å; A174-A178 PolarHBondContact O-N 3.04Å
175	D	74.5	Confident	80.5	Confident	90 Å²	90	95.2 Å²	95.2	48%	0.481	46%	0.464	S	S	.	.	H	α-helix	trans	-71.2	-37.4	177.4	-72.8	-13.1	0	0	0	111.2	V170 D172 A178 T179	V170-D175 VanDerWaalsContact CG1-C 3.43Å; V170-D175 HydrophobicContact CG1-CB 3.26Å; D172-D175 HydrophobicContact CB-CB 4.04Å; D172-D175 CarbonylContact O-C 3.57Å; D172-D175 WeakPolarHBondContact O-CA 3.27Å; D172-D175 WeakPolarHBondContact O-CB 3.34Å; D172-D175 PolarHBondContact O-N 2.93Å; D175-A178 PolarHBondContact O-N 2.85Å; D175-T179 WeakPolarHBondContact O-CB 3.36Å; D175-T179 PolarHBondContact O-N 2.95Å; D175-T179 PolarHBondContact O-OG1 3.47Å
176	E	77.5	Confident	79.9	Confident	99 Å²	99	101 Å²	101	46%	0.463	49%	0.491	S	S	.	.	H	α-helix	trans	-62.1	-44.2	173.3	-76.5	-167.3	160.9	0	0	110.5	V170 D172 E173 T179 H180	V170-E176 HydrophobicContact CB-CG 3.83Å; V170-E176 HydrophobicContact CG1-CB 4.32Å; V170-E176 HydrophobicContact CG1-CG 3.69Å; V170-E176 VanDerWaalsContact CG1-N 3.31Å; D172-E176 PolarHBondContact O-N 2.97Å; E173-E176 PolarHBondContact O-N 3.37Å; E176-T179 WeakPolarHBondContact CA-OG1 3.31Å; E176-T179 PolarHBondContact O-N 3.32Å; E176-T179 PolarHBondContact O-OG1 3.13Å; E176-H180 WeakPolarHBondContact O-CB 3.41Å; E176-H180 PolarHBondContact O-N 2.85Å
177	K	83.1	Confident	79.3	Confident	114 Å²	114	96 Å²	96	50%	0.496	48%	0.481	S	S	.	.	H	α-helix	trans	-64.4	-43.4	174.7	-74.8	169.5	-173.9	162.5	0	111.8	E173 A174 H180 L181	E173-K177 WeakPolarHBondContact O-CB 3.35Å; E173-K177 VanDerWaalsContact O-CG 3.28Å; E173-K177 WeakPolarHBondContact O-CG 3.24Å; E173-K177 PolarHBondContact O-N 3.38Å; E173-K177 VanDerWaalsContact OE1-CE 3.24Å; E173-K177 WeakPolarHBondContact OE1-CE 3.47Å; E173-K177 IonicContact OE1-NZ 3.48Å; E173-K177 PolarHBondContact OE1-NZ 3.07Å; A174-K177 PolarHBondContact O-N 2.94Å; K177-H180 PolarHBondContact O-N 3.31Å; K177-L181 WeakPolarHBondContact O-CB 3.11Å; K177-L181 VanDerWaalsContact O-CG 3.25Å; K177-L181 WeakPolarHBondContact O-CG 3.44Å; K177-L181 PolarHBondContact O-N 2.91Å
178	A	83.5	Confident	78.8	Confident	43 Å²	43	93 Å²	93	36%	0.355	48%	0.475	S	S	.	.	H	α-helix	trans	-63.4	-42.8	178.6	0	0	0	0	0	111.6	A174 D175 L181 L182	A174-A178 VanDerWaalsContact O-CB 3.3Å; A174-A178 WeakPolarHBondContact O-CB 3.47Å; A174-A178 PolarHBondContact O-N 3.04Å; D175-A178 PolarHBondContact O-N 2.85Å; A178-L181 PolarHBondContact O-N 2.85Å; A178-L182 WeakPolarHBondContact O-CB 3.49Å; A178-L182 VanDerWaalsContact O-CG 3.25Å; A178-L182 WeakPolarHBondContact O-CG 3.36Å; A178-L182 PolarHBondContact O-N 2.83Å
179	T	82.7	Confident	78.1	Confident	61 Å²	61	94.5 Å²	94.5	37%	0.374	48%	0.48	S	S	.	.	H	α-helix	trans	-63.7	-42.1	174.8	34.9	0	0	0	0	111.7	D175 E176 L182 L183	D175-T179 WeakPolarHBondContact O-CB 3.36Å; D175-T179 PolarHBondContact O-N 2.95Å; D175-T179 PolarHBondContact O-OG1 3.47Å; E176-T179 WeakPolarHBondContact CA-OG1 3.31Å; E176-T179 PolarHBondContact O-N 3.32Å; E176-T179 PolarHBondContact O-OG1 3.13Å; T179-L182 PolarHBondContact O-N 3.48Å; T179-L183 VanDerWaalsContact O-CG 3.28Å; T179-L183 WeakPolarHBondContact O-CG 3.43Å; T179-L183 PolarHBondContact O-N 2.84Å
180	H	85.2	Confident	77.4	Confident	114 Å²	114	96.3 Å²	96.3	53%	0.528	50%	0.496	S	S	.	.	H	α-helix	trans	-60.3	-48.1	174	-166.8	-70.3	0	0	0	112.1	E176 K177 L182 L183 D184	E176-H180 WeakPolarHBondContact O-CB 3.41Å; E176-H180 PolarHBondContact O-N 2.85Å; K177-H180 PolarHBondContact O-N 3.31Å; H180-L182 VanDerWaalsContact C-N 3.31Å; H180-L182 PolarHBondContact O-N 3Å; H180-L183 PolarHBondContact O-N 3.19Å; H180-D184 IonicContact CE1-OD1 2.78Å; H180-D184 PolarHBondContact CE1-OD1 3.01Å; H180-D184 IonicContact CE1-OD2 2.86Å; H180-D184 PolarHBondContact CE1-OD2 2.74Å; H180-D184 IonicContact ND1-OD1 3.72Å; H180-D184 IonicContact ND1-OD2 2.66Å; H180-D184 PolarHBondContact ND1-OD2 3.02Å; H180-D184 VanDerWaalsContact O-CG 3.28Å; H180-D184 PolarHBondContact O-N 3.01Å
181	L	88.2	Confident	76.9	Confident	117 Å²	117	100.3 Å²	100.3	61%	0.613	52%	0.515	S	S	*	.	H	α-helix	trans	-63.2	-35.3	179.5	-70.6	172.8	0	0	0	112.7	K177 A178 R185	K177-L181 WeakPolarHBondContact O-CB 3.11Å; K177-L181 VanDerWaalsContact O-CG 3.25Å; K177-L181 WeakPolarHBondContact O-CG 3.44Å; K177-L181 PolarHBondContact O-N 2.91Å; A178-L181 PolarHBondContact O-N 2.85Å; L181-R185 WeakPolarHBondContact O-CB 3.5Å; L181-R185 PolarHBondContact O-N 2.8Å; L181-R185 VanDerWaalsContact O-N 3.07Å
182	L	86.3	Confident	76.5	Confident	104 Å²	104	104.8 Å²	104.8	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-67	-45.5	175.1	-74.9	166.7	0	0	0	111.3	A178 T179 H180 D184 R185 E186	A178-L182 WeakPolarHBondContact O-CB 3.49Å; A178-L182 VanDerWaalsContact O-CG 3.25Å; A178-L182 WeakPolarHBondContact O-CG 3.36Å; A178-L182 PolarHBondContact O-N 2.83Å; T179-L182 PolarHBondContact O-N 3.48Å; H180-L182 VanDerWaalsContact C-N 3.31Å; H180-L182 PolarHBondContact O-N 3Å; L182-D184 VanDerWaalsContact C-N 3.35Å; L182-D184 PolarHBondContact O-N 2.86Å; L182-R185 WeakPolarHBondContact O-CB 3.34Å; L182-R185 PolarHBondContact O-N 3.14Å; L182-E186 WeakPolarHBondContact O-CG 3.23Å; L182-E186 PolarHBondContact O-N 3.03Å
183	L	86.7	Confident	75.6	Confident	109 Å²	109	106 Å²	106	57%	0.571	54%	0.544	S	S	*	.	H	α-helix	trans	-61.9	-42.3	176.8	-70	167.1	0	0	0	111.7	T179 H180 R185 E186 S187	T179-L183 VanDerWaalsContact O-CG 3.28Å; T179-L183 WeakPolarHBondContact O-CG 3.43Å; T179-L183 PolarHBondContact O-N 2.84Å; H180-L183 PolarHBondContact O-N 3.19Å; L183-R185 VanDerWaalsContact C-N 3.31Å; L183-R185 PolarHBondContact O-N 2.84Å; L183-E186 PolarHBondContact O-N 3.44Å; L183-S187 PolarHBondContact O-N 3.18Å
184	D	86.4	Confident	74.3	Confident	61 Å²	61	105 Å²	105	33%	0.326	55%	0.548	S	S	.	.	H	α-helix	trans	-60.1	-43.4	175.2	-69.2	-25.9	0	0	0	110.9	H180 L182 S187 Q188	H180-D184 IonicContact CE1-OD1 2.78Å; H180-D184 PolarHBondContact CE1-OD1 3.01Å; H180-D184 IonicContact CE1-OD2 2.86Å; H180-D184 PolarHBondContact CE1-OD2 2.74Å; H180-D184 IonicContact ND1-OD1 3.72Å; H180-D184 IonicContact ND1-OD2 2.66Å; H180-D184 PolarHBondContact ND1-OD2 3.02Å; H180-D184 VanDerWaalsContact O-CG 3.28Å; H180-D184 PolarHBondContact O-N 3.01Å; L182-D184 VanDerWaalsContact C-N 3.35Å; L182-D184 PolarHBondContact O-N 2.86Å; D184-S187 PolarHBondContact O-N 2.66Å; D184-S187 PolarHBondContact O-OG 3.32Å; D184-Q188 WeakPolarHBondContact O-CG 3.38Å; D184-Q188 PolarHBondContact O-N 3.45Å
185	R	84.3	Confident	72.8	Confident	175 Å²	175	110.7 Å²	110.7	66%	0.66	57%	0.569	S	S	*	*	H	α-helix	trans	-64.7	-40.6	178.4	-169.5	-178.5	-175.5	104	2.9	112.5	L181 L182 L183 S187 Q188 Q189	L181-R185 WeakPolarHBondContact O-CB 3.5Å; L181-R185 PolarHBondContact O-N 2.8Å; L181-R185 VanDerWaalsContact O-N 3.07Å; L182-R185 WeakPolarHBondContact O-CB 3.34Å; L182-R185 PolarHBondContact O-N 3.14Å; L183-R185 VanDerWaalsContact C-N 3.31Å; L183-R185 PolarHBondContact O-N 2.84Å; R185-S187 VanDerWaalsContact C-N 3.33Å; R185-Q188 PolarHBondContact O-N 3.32Å; R185-Q189 WeakPolarHBondContact O-CB 3.4Å; R185-Q189 PolarHBondContact O-N 2.97Å
186	E	81.4	Confident	71.1	Confident	122 Å²	122	114.2 Å²	114.2	57%	0.57	59%	0.587	S	S	*	*	H	α-helix	trans	-64.4	-38.4	176.5	-72.8	179.2	171.2	0	0	111.8	L182 L183 Q189 S190	L182-E186 WeakPolarHBondContact O-CG 3.23Å; L182-E186 PolarHBondContact O-N 3.03Å; L183-E186 PolarHBondContact O-N 3.44Å; E186-Q189 PolarHBondContact O-N 3.03Å; E186-S190 PolarHBondContact O-N 3.13Å; E186-S190 VanDerWaalsContact O-N 3.17Å; E186-S190 PolarHBondContact O-OG 3.44Å
187	S	77.5	Confident	69.1	Low	59 Å²	59	113.5 Å²	113.5	41%	0.413	59%	0.593	S	S	.	*	H	α-helix	trans	-65.1	-45.1	175.6	71.4	0	0	0	0	112.2	L183 D184 R185 Q189 S190 D191	L183-S187 PolarHBondContact O-N 3.18Å; D184-S187 PolarHBondContact O-N 2.66Å; D184-S187 PolarHBondContact O-OG 3.32Å; R185-S187 VanDerWaalsContact C-N 3.33Å; S187-Q189 VanDerWaalsContact C-N 3.33Å; S187-Q189 PolarHBondContact O-N 2.93Å; S187-S190 WeakPolarHBondContact O-CB 3.48Å; S187-S190 PolarHBondContact O-N 2.79Å; S187-S190 VanDerWaalsContact O-N 3.13Å; S187-D191 PolarHBondContact O-N 3.2Å
188	Q	73.8	Confident	66.9	Low	131 Å²	131	114.5 Å²	114.5	61%	0.612	61%	0.611	S	S	*	*	H	α-helix	trans	-64.7	-35.9	177.5	-69.7	176.4	8.7	0	0	112.6	D184 R185 S190 D191 E192	D184-Q188 WeakPolarHBondContact O-CG 3.38Å; D184-Q188 PolarHBondContact O-N 3.45Å; R185-Q188 PolarHBondContact O-N 3.32Å; Q188-S190 VanDerWaalsContact C-N 3.26Å; Q188-S190 PolarHBondContact O-N 3.19Å; Q188-D191 PolarHBondContact O-N 3.07Å; Q188-E192 PolarHBondContact O-N 3.48Å
189	Q	67.4	Low	64.3	Low	135 Å²	135	117.8 Å²	117.8	63%	0.631	63%	0.627	S	S	*	*	H	α-helix	trans	-71.6	-22.6	177.3	-167.3	168.4	-17.8	0	0	112.8	R185 E186 S187	R185-Q189 WeakPolarHBondContact O-CB 3.4Å; R185-Q189 PolarHBondContact O-N 2.97Å; E186-Q189 PolarHBondContact O-N 3.03Å; S187-Q189 VanDerWaalsContact C-N 3.33Å; S187-Q189 PolarHBondContact O-N 2.93Å
190	S	59.6	Low	61.9	Low	77 Å²	77	119.5 Å²	119.5	54%	0.538	64%	0.641	S	S	.	*	H	α-helix	trans	-76.5	-33.4	175	-53.4	0	0	0	0	112.1	E186 S187 Q188	E186-S190 PolarHBondContact O-N 3.13Å; E186-S190 VanDerWaalsContact O-N 3.17Å; E186-S190 PolarHBondContact O-OG 3.44Å; S187-S190 WeakPolarHBondContact O-CB 3.48Å; S187-S190 PolarHBondContact O-N 2.79Å; S187-S190 VanDerWaalsContact O-N 3.13Å; Q188-S190 VanDerWaalsContact C-N 3.26Å; Q188-S190 PolarHBondContact O-N 3.19Å
191	D	58.9	Low	59.3	Low	141 Å²	141	121 Å²	121	75%	0.754	66%	0.658	S	S	*	*	H	α-helix	trans	-79	-21.6	179	-69.2	-23.9	0	0	0	113.2	S187 Q188 I193	S187-D191 PolarHBondContact O-N 3.2Å; Q188-D191 PolarHBondContact O-N 3.07Å; D191-I193 VanDerWaalsContact C-N 3.34Å
192	E	55.6	Low	56.7	Low	167 Å²	167	124.1 Å²	124.1	78%	0.78	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-4.3	177.1	-78.6	-100.9	141.7	0	0	114	Q188 P194	Q188-E192 PolarHBondContact O-N 3.48Å; E192-P194 WeakPolarHBondContact O-CD 3.14Å
193	I	50.5	Low	54.1	Low	122 Å²	122	127.5 Å²	127.5	63%	0.626	69%	0.685	S	S	*	*	S	Bend	trans	-75.7	109.1	169.6	-56.9	176	0	0	0	107	D191 L195	D191-I193 VanDerWaalsContact C-N 3.34Å; I193-L195 PolarHBondContact O-N 2.69Å
194	P	43	Very low	51.6	Low	104 Å²	104	130.6 Å²	130.6	68%	0.675	70%	0.701	S	S	*	*			trans	-60	132.8	177.9	-17.1	31.7	0	0	0	108	E192 L196	E192-P194 WeakPolarHBondContact O-CD 3.14Å; P194-L196 PolarHBondContact O-N 3.19Å
195	L	42.3	Very low	49	Very low	180 Å²	180	136.7 Å²	136.7	94%	0.942	73%	0.725	S	S	*	*			trans	-52.4	92.6	168.8	-73.7	167.6	0	0	0	108.6	I193 S197	I193-L195 PolarHBondContact O-N 2.69Å; L195-S197 PolarHBondContact O-N 3.43Å
196	L	39.7	Very low	46.7	Very low	164 Å²	164	134 Å²	134	86%	0.859	73%	0.733	S	S	*	*			trans	-63.8	105.1	167.1	-83.4	161.4	0	0	0	105.5	P194	P194-L196 PolarHBondContact O-N 3.19Å
197	S	34.6	Very low	44.5	Very low	83 Å²	83	133.5 Å²	133.5	58%	0.58	74%	0.743	S	S	*	*			trans	-39.1	143.9	172.1	52.5	0	0	0	0	111.3	L195 T199	L195-S197 PolarHBondContact O-N 3.43Å; S197-T199 PolarHBondContact O-N 3.13Å
198	P	38.5	Very low	42.5	Very low	135 Å²	135	138.8 Å²	138.8	88%	0.877	77%	0.766	S	S	*	*	S	Bend	trans	-71.3	83.4	178.7	31.1	-32.4	0	0	0	108.7
199	T	28.1	Very low	40.8	Very low	112 Å²	112	138.2 Å²	138.2	69%	0.687	78%	0.777	S	S	*	*			trans	-146	110.5	172.1	-52	0	0	0	0	109.6	S197	S197-T199 PolarHBondContact O-N 3.13Å
200	S	32.4	Very low	39.1	Very low	97 Å²	97	142.4 Å²	142.4	68%	0.678	79%	0.793	S	S	*	*			trans	77.2	84.6	168.2	-58	0	0	0	0	117.8	K202	S200-K202 PolarHBondContact O-N 3.17Å
201	T	29.9	Very low	37.9	Very low	145 Å²	145	141.9 Å²	141.9	89%	0.89	80%	0.799	S	S	*	*			trans	-63.9	84.7	144.5	39.7	0	0	0	0	109.4	L203	T201-L203 PolarHBondContact O-N 3.39Å
202	K	33.4	Very low	36.6	Very low	184 Å²	184	142.9 Å²	142.9	80%	0.8	81%	0.805	S	S	*	*			trans	-86.5	103.3	157.9	-78.5	-150.8	177.5	-176	0	109	S200 L204	S200-K202 PolarHBondContact O-N 3.17Å; K202-L204 PolarHBondContact O-N 3.47Å; K202-L204 VanDerWaalsContact O-N 3.14Å
203	L	32	Very low	35.8	Very low	174 Å²	174	141.1 Å²	141.1	91%	0.911	81%	0.805	S	S	*	*			trans	-42.1	111.6	161.7	-109.3	121	0	0	0	110.1	T201 K205	T201-L203 PolarHBondContact O-N 3.39Å; L203-K205 PolarHBondContact O-N 3.3Å
204	L	35.4	Very low	35	Very low	174 Å²	174	142.5 Å²	142.5	91%	0.911	81%	0.812	S	S	*	*			trans	-79	114.1	168.7	-94	156.2	0	0	0	108.6	K202	K202-L204 PolarHBondContact O-N 3.47Å; K202-L204 VanDerWaalsContact O-N 3.14Å
205	K	31.8	Very low	34.7	Very low	190 Å²	190	143 Å²	143	83%	0.826	81%	0.813	S	S	*	*			trans	-67.3	127.4	174.8	-163.4	167.6	-176	177	0	108.7	L203 S207	L203-K205 PolarHBondContact O-N 3.3Å; K205-S207 PolarHBondContact O-N 3.39Å
206	S	34.1	Very low	34.3	Very low	119 Å²	119	139.7 Å²	139.7	83%	0.832	81%	0.805	S	S	*	*			trans	-58.8	127.9	172.3	45.5	0	0	0	0	110.1
207	S	35.6	Very low	34.1	Very low	111 Å²	111	143.1 Å²	143.1	78%	0.776	81%	0.806	S	S	*	*			trans	-145.9	136	160.3	49.4	0	0	0	0	109.6	K205	K205-S207 PolarHBondContact O-N 3.39Å
208	D	36.2	Very low	34.2	Very low	170 Å²	170	144.2 Å²	144.2	91%	0.909	81%	0.814	S	S	*	*			trans	-55.4	129.8	-172.1	-65.9	-59.1	0	0	0	113.2
209	S	37.1	Very low	34	Very low	118 Å²	118	143.9 Å²	143.9	83%	0.825	81%	0.812	S	S	*	*			trans	-152.3	130.8	145.6	53.9	0	0	0	0	110.6	G211	S209-G211 PolarHBondContact O-N 3.29Å
210	K	33.4	Very low	34.4	Very low	224 Å²	224	146 Å²	146	97%	0.974	82%	0.819	S	S	*	*			trans	-74.9	110.3	-178.4	-164.5	169.9	-176.2	175.9	0	107.7
211	G	33.9	Very low	34.6	Very low	65 Å²	65	148.1 Å²	148.1	67%	0.67	82%	0.821	S	S	*	*			trans	-156.8	126.1	176.7	0	0	0	0	0	110.3	S209	S209-G211 PolarHBondContact O-N 3.29Å
212	D	32.2	Very low	34.6	Very low	162 Å²	162	146.3 Å²	146.3	87%	0.866	81%	0.814	S	S	*	*			trans	-60.3	133.8	-173.4	-76.3	-39.8	0	0	0	112.8	I214	D212-I214 PolarHBondContact O-N 2.76Å; D212-I214 VanDerWaalsContact O-N 3.11Å
213	V	38.3	Very low	34.6	Very low	131 Å²	131	143 Å²	143	79%	0.794	81%	0.813	S	S	*	*			trans	-72.3	101.1	171.8	177	0	0	0	0	108.6	V215	V213-V215 HydrophobicContact CG1-CG2 4Å; V213-V215 PolarHBondContact O-N 3.11Å
214	I	33.6	Very low	34.7	Very low	150 Å²	150	142 Å²	142	77%	0.769	81%	0.808	S	S	*	*			trans	-78.3	97.8	167.3	-60.8	176	0	0	0	107.7	D212 S216	D212-I214 PolarHBondContact O-N 2.76Å; D212-I214 VanDerWaalsContact O-N 3.11Å; I214-S216 PolarHBondContact O-N 3.44Å
215	V	36.3	Very low	34.7	Very low	114 Å²	114	141.1 Å²	141.1	69%	0.691	80%	0.804	S	S	*	*			trans	-69.3	108	167.4	179.5	0	0	0	0	107.9	V213 R217	V213-V215 HydrophobicContact CG1-CG2 4Å; V213-V215 PolarHBondContact O-N 3.11Å; V215-R217 PolarHBondContact O-N 3.24Å
216	S	33.9	Very low	34.7	Very low	111 Å²	111	138 Å²	138	78%	0.776	80%	0.803	S	S	*	*			trans	-62.4	114.1	172.3	-71.1	0	0	0	0	109.6	I214	I214-S216 PolarHBondContact O-N 3.44Å
217	R	36	Very low	34.8	Very low	236 Å²	236	137.6 Å²	137.6	89%	0.891	80%	0.8	S	S	*	*			trans	-88.5	129.2	169.4	-72.4	-174.9	174.9	-165	-0.4	109.2	V215	V215-R217 PolarHBondContact O-N 3.24Å
218	S	37.1	Very low	34.8	Very low	107 Å²	107	137.8 Å²	137.8	75%	0.748	80%	0.801	S	S	*	*			trans	-59.8	145.2	176	-48	0	0	0	0	112.1	L220	S218-L220 PolarHBondContact O-N 2.69Å
219	P	34.1	Very low	34.6	Very low	127 Å²	127	136.4 Å²	136.4	83%	0.825	80%	0.799	S	S	*	*			trans	-85.9	103.2	-179.2	33.2	-28.8	0	0	0	109.9
220	L	36.3	Very low	34.7	Very low	158 Å²	158	136 Å²	136	83%	0.827	80%	0.796	S	S	*	*			trans	-102	111.1	162.8	-73.3	178.8	0	0	0	109.4	S218	S218-L220 PolarHBondContact O-N 2.69Å
221	I	35.7	Very low	34.6	Very low	141 Å²	141	133.9 Å²	133.9	72%	0.723	80%	0.795	S	S	*	*			trans	29	106.3	144.1	-58.5	171.2	0	0	0	115	C223	I221-C223 PolarHBondContact O-N 3.39Å
222	S	30	Very low	34.8	Very low	107 Å²	107	136.4 Å²	136.4	75%	0.748	80%	0.802	S	S	*	*			trans	-67.2	98.9	165.3	61.3	0	0	0	0	109.9	N224	S222-N224 PolarHBondContact O-N 2.95Å
223	C	33.9	Very low	35	Very low	115 Å²	115	134.3 Å²	134.3	78%	0.777	80%	0.8	S	S	*	*			trans	-76.8	107.3	160.3	-68.8	0	0	0	0	108.1	I221 L225	I221-C223 PolarHBondContact O-N 3.39Å; C223-L225 PolarHBondContact O-N 2.74Å
224	N	33.7	Very low	34.8	Very low	153 Å²	153	131 Å²	131	82%	0.818	79%	0.793	S	S	*	*			trans	-61.5	118.9	168.5	-73.7	-28.6	0	0	0	109.2	S222	S222-N224 PolarHBondContact O-N 2.95Å
225	L	36.1	Very low	34.9	Very low	155 Å²	155	129.4 Å²	129.4	81%	0.812	80%	0.795	S	S	*	*			trans	-84.5	129.6	168.1	-160	78.1	0	0	0	108.3	C223 S227	C223-L225 PolarHBondContact O-N 2.74Å; L225-S227 PolarHBondContact O-N 2.95Å
226	P	31.2	Very low	35.1	Very low	124 Å²	124	133.7 Å²	133.7	81%	0.805	80%	0.804	S	S	*	*			trans	-77.4	105.5	170.2	29.9	-27.2	0	0	0	108.2
227	S	35.6	Very low	35.5	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-78.3	131.5	167.1	47.3	0	0	0	0	109.9	L225 T229	L225-S227 PolarHBondContact O-N 2.95Å; S227-T229 PolarHBondContact O-N 3.14Å
228	S	35.3	Very low	36.1	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-52.5	126.8	179.2	37.5	0	0	0	0	112.8	S230	S228-S230 PolarHBondContact O-N 3.41Å
229	T	33.8	Very low	36.8	Very low	142 Å²	142	141.2 Å²	141.2	87%	0.871	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-57.7	121.4	166.6	3.4	0	0	0	0	110.1	S227	S227-T229 PolarHBondContact O-N 3.14Å
230	S	39.1	Very low	37	Very low	109 Å²	109	142 Å²	142	76%	0.762	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-61.2	139	167.5	41	0	0	0	0	111.1	S228 S232	S228-S230 PolarHBondContact O-N 3.41Å; S230-S232 PolarHBondContact O-N 3.48Å
231	L	30.8	Very low	37	Very low	179 Å²	179	141.1 Å²	141.1	94%	0.937	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-56.6	123	167.4	-74.3	117.2	0	0	0	110.3
232	S	37.9	Very low	37.1	Very low	118 Å²	118	141.1 Å²	141.1	83%	0.825	84%	0.844	S	S	*	*			trans	-111.7	110.3	158.2	178.9	0	0	0	0	107.4	S230	S230-S232 PolarHBondContact O-N 3.48Å
233	S	35.5	Very low	37.5	Very low	118 Å²	118	143.1 Å²	143.1	83%	0.825	85%	0.85	S	S	*	*			trans	-93.1	132.1	170.7	49.7	0	0	0	0	109.7
234	G	35.7	Very low	37.7	Very low	63 Å²	63	144.9 Å²	144.9	65%	0.649	86%	0.855	S	S	*	*			trans	133	123.5	174.1	0	0	0	0	0	110.7
235	S	35.5	Very low	38	Very low	115 Å²	115	144.3 Å²	144.3	80%	0.804	86%	0.857	S	S	*	*			cis	-170.2	168.1	20.6	-57.3	0	0	0	0	109.9
236	K	39.1	Very low	38.1	Very low	204 Å²	204	143.6 Å²	143.6	89%	0.887	86%	0.86	S	S	*	*			trans	100.5	89.4	155.4	-59.7	-176.5	179.1	-178.4	0	116.8
237	E	42.5	Very low	38.6	Very low	198 Å²	198	145.1 Å²	145.1	93%	0.925	87%	0.865	S	S	*	*			trans	-101.4	140.6	139.4	-143.2	170.3	-176	0	0	109
238	K	48.5	Very low	38.9	Very low	205 Å²	205	148 Å²	148	89%	0.891	87%	0.873	S	S	*	*			trans	-70	145	-166.9	-84.8	166.6	165.2	176.2	0	112.6
239	T	53.1	Low	39.2	Very low	210 Å²	210	151 Å²	151	100%	1.288	88%	0.879	S	S	*	*			trans	-72	0	152.7	-27	0	0	0	0	110

Retrieved 239 of 239 residues in 71.6 ms (Link to these results)

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