A0A077ZI52_TRITR Loading...

Repressor of RNA polymerase III transcription MAF1 homolog

AlphaFold DB , UniProt , Accession A0A077ZI52, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 176 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	38.2	Very low	38.8	Very low	177 Å²	177	116.9 Å²	116.9	87%	0.872	58%	0.577	S	S	*	*				0	135.1	0	-85.7	178.8	170.7	0	0	107.5	S3 N23	M1-S3 PolarHBondContact O-N 3.02Å; M1-N23 VanDerWaalsContact CE-ND2 3.3Å; M1-N23 WeakPolarHBondContact CE-ND2 3.36Å
2	Q	32.3	Very low	39.9	Very low	167 Å²	167	116 Å²	116	78%	0.78	58%	0.575	S	S	*	*			trans	-81.7	111.3	-173.8	-79.3	173.6	-31.3	0	0	110.6
3	S	38.5	Very low	40.8	Very low	36 Å²	36	110.2 Å²	110.2	25%	0.252	56%	0.564	S	S	.	*			trans	-73	126.3	157.8	-72.6	0	0	0	0	107.7	M1 A94 S95	M1-S3 PolarHBondContact O-N 3.02Å; S3-A94 VanDerWaalsContact OG-C 3.31Å; S3-A94 PolarHBondContact OG-O 3.44Å; S3-S95 VanDerWaalsContact OG-CA 3.23Å; S3-S95 WeakPolarHBondContact OG-CA 3.41Å; S3-S95 PolarHBondContact OG-N 3.04Å
4	T	36.8	Very low	41.8	Very low	39 Å²	39	103.9 Å²	103.9	24%	0.239	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.7	-178.8	-45.7	0	0	0	0	109	Y6 F20	T4-Y6 HydrophobicContact CG2-CD1 4.03Å; T4-Y6 HydrophobicContact CG2-CD2 3.86Å; T4-Y6 HydrophobicContact CG2-CE1 3.53Å; T4-Y6 HydrophobicContact CG2-CE2 3.35Å; T4-Y6 HydrophobicContact CG2-CG 4.18Å; T4-Y6 WeakPolarHBondContact CG2-OH 3.47Å; T4-F20 PolarHBondContact N-O 3.07Å; T4-F20 PolarHBondContact O-N 3.28Å
5	V	39.3	Very low	43	Very low	79 Å²	79	101 Å²	101	48%	0.479	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.3	168	-177.1	0	0	0	0	106.7	L17 M19	V5-L17 HydrophobicContact CG1-CD1 3.67Å; V5-M19 HydrophobicContact CG2-CG 4.3Å
6	Y	39.2	Very low	44.1	Very low	118 Å²	118	96.4 Å²	96.4	46%	0.463	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	112.3	171.5	-63.2	-82	0	0	0	108.5	T4 E18 F20	T4-Y6 HydrophobicContact CG2-CD1 4.03Å; T4-Y6 HydrophobicContact CG2-CD2 3.86Å; T4-Y6 HydrophobicContact CG2-CE1 3.53Å; T4-Y6 HydrophobicContact CG2-CE2 3.35Å; T4-Y6 HydrophobicContact CG2-CG 4.18Å; T4-Y6 WeakPolarHBondContact CG2-OH 3.47Å; Y6-E18 PolarHBondContact N-O 3.31Å; Y6-E18 VanDerWaalsContact N-O 3.07Å; Y6-E18 PolarHBondContact O-N 3.08Å; Y6-E18 VanDerWaalsContact O-N 3.16Å; Y6-F20 AromaticContact CD2-CD2 3.88Å; Y6-F20 HydrophobicContact CD2-CD2 3.88Å; Y6-F20 HydrophobicContact CD2-CE2 4.21Å; Y6-F20 HydrophobicContact CE2-CD2 4.08Å; Y6-F20 HydrophobicContact CE2-CE2 4.48Å
7	L	37.3	Very low	44.8	Very low	127 Å²	127	92.3 Å²	92.3	67%	0.665	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	105	159.7	-80.2	160.5	0	0	0	106.7	T15 F16 L17	L7-T15 HydrophobicContact CD2-CG2 4.28Å; L7-F16 WeakPolarHBondContact CA-O 3.27Å; L7-L17 HydrophobicContact CD2-CD1 3.85Å; L7-L17 HydrophobicContact CG-CD1 4.2Å
8	T	39	Very low	45.5	Very low	66 Å²	66	88.1 Å²	88.1	41%	0.405	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.9	170.2	70.9	0	0	0	0	109.3	G10 F16	T8-G10 PolarHBondContact O-N 3.2Å; T8-F16 PolarHBondContact N-O 3.26Å; T8-F16 WeakPolarHBondContact O-CB 3.43Å; T8-F16 PolarHBondContact O-N 3.4Å; T8-F16 WeakPolarHBondContact OG1-CD1 3.3Å
9	Q	41.7	Very low	46	Very low	179 Å²	179	85.8 Å²	85.8	84%	0.836	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	114.2	162.9	-78.6	-175.2	-27.9	0	0	107.2
10	G	44.7	Very low	46.3	Very low	36 Å²	36	84.9 Å²	84.9	37%	0.371	44%	0.435	S	S	.	.			trans	-70	169.4	172.9	0	0	0	0	0	111.5	T8 L12 C14	T8-G10 PolarHBondContact O-N 3.2Å; G10-L12 PolarHBondContact O-N 3.06Å; G10-C14 PolarHBondContact N-O 3.44Å
11	R	40.3	Very low	46.6	Very low	262 Å²	262	81.9 Å²	81.9	99%	0.989	42%	0.419	S	S	*	.	S	Bend	trans	-65.4	2.5	176	-97.5	-177.9	173.6	178.3	-1.2	115.2
12	L	51.1	Low	47.4	Very low	106 Å²	106	79.5 Å²	79.5	56%	0.555	41%	0.405	S	S	*	.	S	Bend	trans	-121.7	171	178.8	-67.3	162.9	0	0	0	106.7	G10 C14	G10-L12 PolarHBondContact O-N 3.06Å; L12-C14 HydrophobicContact CB-CB 4.34Å; L12-C14 PolarHBondContact O-N 3.16Å
13	G	52.3	Low	48.3	Very low	41 Å²	41	77.5 Å²	77.5	42%	0.423	40%	0.4	S	S	.	.	S	Bend	trans	-66.3	40	173.2	0	0	0	0	0	113.6	K34	G13-K34 PolarHBondContact O-N 3.02Å
14	C	55	Low	49.3	Very low	22 Å²	22	77.3 Å²	77.3	15%	0.149	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.1	-172.7	-65.1	0	0	0	0	109.1	G10 L12 S32 C33	G10-C14 PolarHBondContact N-O 3.44Å; L12-C14 HydrophobicContact CB-CB 4.34Å; L12-C14 PolarHBondContact O-N 3.16Å; C14-S32 CarbonylContact C-O 3.53Å; C14-S32 WeakPolarHBondContact CA-O 3.26Å; C14-C33 HydrophobicContact CB-CB 4.28Å; C14-C33 WeakPolarHBondContact CB-SG 3.36Å; C14-C33 WeakPolarHBondContact SG-CB 3.48Å; C14-C33 CovalentContact SG-SG 2.06Å; C14-C33 PolarHBondContact SG-SG 3.21Å
15	T	59.8	Low	50.7	Low	60 Å²	60	77.7 Å²	77.7	37%	0.368	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.5	164.8	-53.8	0	0	0	0	107.2	L7 S32	L7-T15 HydrophobicContact CD2-CG2 4.28Å; T15-S32 PolarHBondContact N-O 3.46Å; T15-S32 PolarHBondContact O-N 3.37Å
16	F	59.7	Low	51.9	Low	27 Å²	27	75.4 Å²	75.4	12%	0.118	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.8	173.5	-176.2	-138.1	0	0	0	109.1	L7 T8 E18 E29 Y31	L7-F16 WeakPolarHBondContact CA-O 3.27Å; T8-F16 PolarHBondContact N-O 3.26Å; T8-F16 WeakPolarHBondContact O-CB 3.43Å; T8-F16 PolarHBondContact O-N 3.4Å; T8-F16 WeakPolarHBondContact OG1-CD1 3.3Å; F16-E18 HydrophobicContact CD1-CB 4.11Å; F16-E18 HydrophobicContact CE1-CB 3.53Å; F16-E18 HydrophobicContact CE1-CG 4.03Å; F16-E18 WeakPolarHBondContact CE1-OE2 3.44Å; F16-E18 HydrophobicContact CE2-CB 3.97Å; F16-E18 HydrophobicContact CE2-CG 4.32Å; F16-E18 HydrophobicContact CZ-CB 3.47Å; F16-E18 VanDerWaalsContact CZ-CB 3.47Å; F16-E18 HydrophobicContact CZ-CG 3.64Å; F16-E18 WeakPolarHBondContact CZ-OE2 3.24Å; F16-E29 HydrophobicContact CE2-CB 4.19Å; F16-E29 HydrophobicContact CE2-CG 4.43Å; F16-Y31 HydrophobicContact CB-CD1 4.5Å; F16-Y31 AromaticContact CD2-CD1 3.27Å; F16-Y31 HydrophobicContact CD2-CD1 3.27Å; F16-Y31 HydrophobicContact CD2-CD2 4.33Å; F16-Y31 AromaticContact CD2-CE1 3.14Å; F16-Y31 HydrophobicContact CD2-CE1 3.14Å; F16-Y31 HydrophobicContact CD2-CE2 4.24Å; F16-Y31 AromaticContact CD2-CG 3.89Å; F16-Y31 HydrophobicContact CD2-CG 3.89Å; F16-Y31 AromaticContact CD2-CZ 3.67Å; F16-Y31 HydrophobicContact CE1-CE1 4.46Å; F16-Y31 AromaticContact CE2-CD1 3.65Å; F16-Y31 HydrophobicContact CE2-CD1 3.65Å; F16-Y31 HydrophobicContact CE2-CD2 4.2Å; F16-Y31 AromaticContact CE2-CE1 3.03Å; F16-Y31 HydrophobicContact CE2-CE1 3.03Å; F16-Y31 AromaticContact CE2-CE2 3.69Å; F16-Y31 HydrophobicContact CE2-CE2 3.69Å; F16-Y31 HydrophobicContact CE2-CG 4.19Å; F16-Y31 AromaticContact CE2-CZ 3.05Å; F16-Y31 VanDerWaalsContact CE2-OH 3.27Å; F16-Y31 WeakPolarHBondContact CE2-OH 3.49Å; F16-Y31 HydrophobicContact CG-CD1 4.11Å; F16-Y31 AromaticContact CG-CE1 3.98Å; F16-Y31 HydrophobicContact CG-CE1 3.98Å; F16-Y31 AromaticContact CZ-CE1 3.71Å; F16-Y31 HydrophobicContact CZ-CE1 3.71Å; F16-Y31 AromaticContact CZ-CZ 3.69Å; F16-Y31 WeakPolarHBondContact CZ-OH 3.27Å
17	L	57.3	Low	53.4	Low	27 Å²	27	73.1 Å²	73.1	14%	0.141	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	106.1	168.3	179.5	77.3	0	0	0	106.4	V5 L7 M19 C30 V122	V5-L17 HydrophobicContact CG1-CD1 3.67Å; L7-L17 HydrophobicContact CD2-CD1 3.85Å; L7-L17 HydrophobicContact CG-CD1 4.2Å; L17-M19 HydrophobicContact CD2-CE 4.21Å; L17-C30 HydrophobicContact CB-CB 4.14Å; L17-C30 HydrophobicContact CD2-CB 4.42Å; L17-C30 PolarHBondContact N-O 3.36Å; L17-C30 PolarHBondContact O-N 2.98Å; L17-V122 HydrophobicContact CD2-CG1 4.09Å
18	E	57.1	Low	55	Low	16 Å²	16	67.5 Å²	67.5	8%	0.075	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.4	173.3	-161.1	162.5	-157.3	0	0	109.4	Y6 F16 F20 R27 E29	Y6-E18 PolarHBondContact N-O 3.31Å; Y6-E18 VanDerWaalsContact N-O 3.07Å; Y6-E18 PolarHBondContact O-N 3.08Å; Y6-E18 VanDerWaalsContact O-N 3.16Å; F16-E18 HydrophobicContact CD1-CB 4.11Å; F16-E18 HydrophobicContact CE1-CB 3.53Å; F16-E18 HydrophobicContact CE1-CG 4.03Å; F16-E18 WeakPolarHBondContact CE1-OE2 3.44Å; F16-E18 HydrophobicContact CE2-CB 3.97Å; F16-E18 HydrophobicContact CE2-CG 4.32Å; F16-E18 HydrophobicContact CZ-CB 3.47Å; F16-E18 VanDerWaalsContact CZ-CB 3.47Å; F16-E18 HydrophobicContact CZ-CG 3.64Å; F16-E18 WeakPolarHBondContact CZ-OE2 3.24Å; E18-F20 HydrophobicContact CB-CD2 4.38Å; E18-F20 HydrophobicContact CB-CE2 4.24Å; E18-F20 HydrophobicContact CG-CD2 3.65Å; E18-F20 HydrophobicContact CG-CE1 4.37Å; E18-F20 HydrophobicContact CG-CE2 3.41Å; E18-F20 VanDerWaalsContact CG-CE2 3.41Å; E18-F20 HydrophobicContact CG-CG 4.29Å; E18-F20 HydrophobicContact CG-CZ 3.82Å; E18-F20 WeakPolarHBondContact OE1-CE1 3.48Å; E18-F20 VanDerWaalsContact OE1-CE2 3.3Å; E18-F20 WeakPolarHBondContact OE1-CE2 3.34Å; E18-F20 WeakPolarHBondContact OE1-CZ 2.91Å; E18-F20 WeakPolarHBondContact OE2-CE2 3.45Å; E18-F20 WeakPolarHBondContact OE2-CZ 3.4Å; E18-R27 IonicContact OE1-CZ 3.06Å; E18-R27 IonicContact OE1-NE 2.84Å; E18-R27 PolarHBondContact OE1-NE 3.49Å; E18-R27 IonicContact OE1-NH2 2.62Å; E18-R27 PolarHBondContact OE1-NH2 3.34Å; E18-E29 HydrophobicContact CG-CG 4.32Å
19	M	54.1	Low	56.6	Low	46 Å²	46	65 Å²	65	23%	0.227	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	104.2	169.6	-66.9	-172.2	176.8	0	0	107.8	V5 L17 F21 L28	V5-M19 HydrophobicContact CG2-CG 4.3Å; L17-M19 HydrophobicContact CD2-CE 4.21Å; M19-F21 HydrophobicContact CB-CE2 4.21Å; M19-F21 HydrophobicContact CB-CZ 3.94Å; M19-F21 HydrophobicContact SD-CZ 4.41Å; M19-L28 HydrophobicContact CB-CB 4.41Å; M19-L28 PolarHBondContact N-O 3.3Å; M19-L28 PolarHBondContact O-N 3.23Å; M19-L28 HydrophobicContact SD-CD2 4.4Å
20	F	52.3	Low	58.1	Low	67 Å²	67	56.8 Å²	56.8	29%	0.294	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.6	166.9	-68.9	-78.8	0	0	0	109.9	T4 Y6 E18 R27	T4-F20 PolarHBondContact N-O 3.07Å; T4-F20 PolarHBondContact O-N 3.28Å; Y6-F20 AromaticContact CD2-CD2 3.88Å; Y6-F20 HydrophobicContact CD2-CD2 3.88Å; Y6-F20 HydrophobicContact CD2-CE2 4.21Å; Y6-F20 HydrophobicContact CE2-CD2 4.08Å; Y6-F20 HydrophobicContact CE2-CE2 4.48Å; E18-F20 HydrophobicContact CB-CD2 4.38Å; E18-F20 HydrophobicContact CB-CE2 4.24Å; E18-F20 HydrophobicContact CG-CD2 3.65Å; E18-F20 HydrophobicContact CG-CE1 4.37Å; E18-F20 HydrophobicContact CG-CE2 3.41Å; E18-F20 VanDerWaalsContact CG-CE2 3.41Å; E18-F20 HydrophobicContact CG-CG 4.29Å; E18-F20 HydrophobicContact CG-CZ 3.82Å; E18-F20 WeakPolarHBondContact OE1-CE1 3.48Å; E18-F20 VanDerWaalsContact OE1-CE2 3.3Å; E18-F20 WeakPolarHBondContact OE1-CE2 3.34Å; E18-F20 WeakPolarHBondContact OE1-CZ 2.91Å; E18-F20 WeakPolarHBondContact OE2-CE2 3.45Å; E18-F20 WeakPolarHBondContact OE2-CZ 3.4Å; F20-R27 HydrophobicContact CD1-CG 4.24Å; F20-R27 HydrophobicContact CE1-CG 4.2Å
21	F	53.6	Low	59.7	Low	22 Å²	22	58.3 Å²	58.3	10%	0.096	29%	0.288	C	S	.	.			trans	-96.9	101.4	165.8	-55.8	-63.6	0	0	0	107	M19 N23 S24 F26 T91 S95	M19-F21 HydrophobicContact CB-CE2 4.21Å; M19-F21 HydrophobicContact CB-CZ 3.94Å; M19-F21 HydrophobicContact SD-CZ 4.41Å; F21-N23 PolarHBondContact O-N 3.29Å; F21-S24 PolarHBondContact O-N 3.31Å; F21-F26 AromaticContact CD2-CD1 3.61Å; F21-F26 HydrophobicContact CD2-CD1 3.61Å; F21-F26 HydrophobicContact CD2-CE1 4.22Å; F21-F26 AromaticContact CE2-CD1 3.61Å; F21-F26 HydrophobicContact CE2-CD1 3.61Å; F21-F26 AromaticContact CE2-CE1 3.72Å; F21-F26 HydrophobicContact CE2-CE1 3.72Å; F21-T91 HydrophobicContact CB-CG2 4.1Å; F21-T91 HydrophobicContact CD1-CG2 4.15Å; F21-T91 HydrophobicContact CD2-CG2 3.23Å; F21-T91 HydrophobicContact CE2-CG2 3.6Å; F21-T91 HydrophobicContact CG-CG2 3.51Å; F21-T91 HydrophobicContact CZ-CG2 4.22Å; F21-S95 WeakPolarHBondContact CD1-OG 3.14Å; F21-S95 WeakPolarHBondContact CE1-OG 3.13Å; F21-S95 VanDerWaalsContact CZ-OG 3.26Å; F21-S95 WeakPolarHBondContact CZ-OG 3.11Å
22	H	53.3	Low	61.4	Low	126 Å²	126	46 Å²	46	58%	0.583	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	125.5	179.6	-132.4	-79.2	0	0	0	109.2	S24	H22-S24 VanDerWaalsContact C-N 3.34Å; H22-S24 PolarHBondContact O-N 2.9Å
23	N	52.6	Low	62.6	Low	126 Å²	126	43 Å²	43	67%	0.674	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	13.8	-175.4	-50.4	-44.3	0	0	0	116.9	M1 F21	M1-N23 VanDerWaalsContact CE-ND2 3.3Å; M1-N23 WeakPolarHBondContact CE-ND2 3.36Å; F21-N23 PolarHBondContact O-N 3.29Å
24	S	59.9	Low	63.8	Low	31 Å²	31	46.4 Å²	46.4	22%	0.217	23%	0.233	C	C	.	.			trans	-100.9	142.5	166.3	-179.4	0	0	0	0	110.1	F21 H22 F26 T91	F21-S24 PolarHBondContact O-N 3.31Å; H22-S24 VanDerWaalsContact C-N 3.34Å; H22-S24 PolarHBondContact O-N 2.9Å; S24-F26 PolarHBondContact O-N 3.19Å; S24-F26 WeakPolarHBondContact OG-CB 3.32Å; S24-F26 PolarHBondContact OG-N 3.14Å; S24-T91 PolarHBondContact OG-OG1 2.9Å
25	P	64.2	Low	64.8	Low	48 Å²	48	48.9 Å²	48.9	31%	0.312	24%	0.243	S	C	.	.	S	Bend	trans	-64.1	-6.3	171.1	25.9	-34.2	0	0	0	113.9	A174 M175	P25-A174 CarbonylContact O-C 3.56Å; P25-A174 VanDerWaalsContact O-CA 3.3Å; P25-A174 WeakPolarHBondContact O-CA 3.41Å; P25-M175 HydrophobicContact CB-CB 4.48Å; P25-M175 WeakPolarHBondContact CB-O 3.35Å; P25-M175 PolarHBondContact O-N 3.28Å
26	F	66	Low	65.7	Low	31 Å²	31	48.6 Å²	48.6	14%	0.136	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.5	-174.7	-172.5	-84.6	0	0	0	112	F21 S24 L28 T91 W153 C172 R173	F21-F26 AromaticContact CD2-CD1 3.61Å; F21-F26 HydrophobicContact CD2-CD1 3.61Å; F21-F26 HydrophobicContact CD2-CE1 4.22Å; F21-F26 AromaticContact CE2-CD1 3.61Å; F21-F26 HydrophobicContact CE2-CD1 3.61Å; F21-F26 AromaticContact CE2-CE1 3.72Å; F21-F26 HydrophobicContact CE2-CE1 3.72Å; S24-F26 PolarHBondContact O-N 3.19Å; S24-F26 WeakPolarHBondContact OG-CB 3.32Å; S24-F26 PolarHBondContact OG-N 3.14Å; F26-L28 HydrophobicContact CD1-CB 4.45Å; F26-L28 HydrophobicContact CE1-CB 3.72Å; F26-L28 HydrophobicContact CZ-CB 4.46Å; F26-T91 HydrophobicContact CB-CG2 4.15Å; F26-T91 HydrophobicContact CD1-CG2 4Å; F26-T91 HydrophobicContact CG-CG2 4.14Å; F26-W153 AromaticContact CD2-CH2 3.78Å; F26-W153 HydrophobicContact CD2-CH2 3.78Å; F26-W153 HydrophobicContact CD2-CZ2 4.05Å; F26-W153 AromaticContact CE2-CH2 3.67Å; F26-W153 HydrophobicContact CE2-CH2 3.67Å; F26-W153 HydrophobicContact CE2-CZ2 4.25Å; F26-C172 WeakPolarHBondContact CE2-SG 3.03Å; F26-C172 WeakPolarHBondContact CZ-SG 3.2Å; F26-R173 WeakPolarHBondContact CA-O 3.46Å
27	R	69.4	Low	66.6	Low	69 Å²	69	52.9 Å²	52.9	26%	0.26	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.8	170	-167.2	-179.9	-173.4	-161.2	8.9	109.5	E18 F20 E29 C172 R173	E18-R27 IonicContact OE1-CZ 3.06Å; E18-R27 IonicContact OE1-NE 2.84Å; E18-R27 PolarHBondContact OE1-NE 3.49Å; E18-R27 IonicContact OE1-NH2 2.62Å; E18-R27 PolarHBondContact OE1-NH2 3.34Å; F20-R27 HydrophobicContact CD1-CG 4.24Å; F20-R27 HydrophobicContact CE1-CG 4.2Å; R27-E29 WeakPolarHBondContact CD-OE1 3.25Å; R27-E29 HydrophobicContact CG-CG 4.1Å; R27-E29 IonicContact CZ-OE1 2.79Å; R27-E29 IonicContact NE-OE1 2.86Å; R27-E29 PolarHBondContact NE-OE1 2.75Å; R27-E29 IonicContact NH1-OE1 2.7Å; R27-E29 PolarHBondContact NH1-OE1 2.97Å; R27-E29 IonicContact NH2-OE1 3.54Å; R27-C172 VanDerWaalsContact O-CA 3.28Å; R27-C172 WeakPolarHBondContact O-CA 3.48Å; R27-R173 HydrophobicContact CB-CG 4.36Å; R27-R173 PolarHBondContact N-O 3.09Å; R27-R173 VanDerWaalsContact N-O 3.09Å; R27-R173 PolarHBondContact O-N 3.17Å
28	L	72	Confident	67.7	Low	9 Å²	9	54.8 Å²	54.8	5%	0.047	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.2	174.1	-175.9	65.2	0	0	0	109.7	M19 F26 L119 F170 S171 C172	M19-L28 HydrophobicContact CB-CB 4.41Å; M19-L28 PolarHBondContact N-O 3.3Å; M19-L28 PolarHBondContact O-N 3.23Å; M19-L28 HydrophobicContact SD-CD2 4.4Å; F26-L28 HydrophobicContact CD1-CB 4.45Å; F26-L28 HydrophobicContact CE1-CB 3.72Å; F26-L28 HydrophobicContact CZ-CB 4.46Å; L28-L119 HydrophobicContact CD2-CD1 4.18Å; L28-F170 HydrophobicContact CD1-CD2 4.14Å; L28-F170 HydrophobicContact CD1-CE1 4.42Å; L28-F170 HydrophobicContact CD1-CE2 3.44Å; L28-F170 VanDerWaalsContact CD1-CE2 3.44Å; L28-F170 HydrophobicContact CD1-CZ 3.59Å; L28-F170 HydrophobicContact CD2-CE2 4.13Å; L28-F170 HydrophobicContact CD2-CZ 4.43Å; L28-F170 HydrophobicContact CG-CE2 4.08Å; L28-S171 WeakPolarHBondContact CA-O 3.36Å; L28-C172 HydrophobicContact CD1-CB 3.91Å
29	E	73.2	Confident	68.8	Low	13 Å²	13	56.6 Å²	56.6	6%	0.061	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.5	-179.2	-61.3	172.9	-154.2	0	0	109.6	F16 E18 R27 Y31 S171	F16-E29 HydrophobicContact CE2-CB 4.19Å; F16-E29 HydrophobicContact CE2-CG 4.43Å; E18-E29 HydrophobicContact CG-CG 4.32Å; R27-E29 WeakPolarHBondContact CD-OE1 3.25Å; R27-E29 HydrophobicContact CG-CG 4.1Å; R27-E29 IonicContact CZ-OE1 2.79Å; R27-E29 IonicContact NE-OE1 2.86Å; R27-E29 PolarHBondContact NE-OE1 2.75Å; R27-E29 IonicContact NH1-OE1 2.7Å; R27-E29 PolarHBondContact NH1-OE1 2.97Å; R27-E29 IonicContact NH2-OE1 3.54Å; E29-Y31 HydrophobicContact CB-CD2 4.34Å; E29-Y31 HydrophobicContact CB-CE2 3.56Å; E29-Y31 HydrophobicContact CG-CE2 4.41Å; E29-Y31 VanDerWaalsContact OE2-CE2 3.28Å; E29-Y31 WeakPolarHBondContact OE2-CE2 3.4Å; E29-Y31 PolarHBondContact OE2-OH 2.81Å; E29-S171 PolarHBondContact N-O 3.22Å; E29-S171 PolarHBondContact O-N 2.72Å
30	C	72.9	Confident	70.1	Confident	7 Å²	7	59.6 Å²	59.6	5%	0.047	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.2	173.7	-48.5	0	0	0	0	109.5	L17 L168 F169 F170	L17-C30 HydrophobicContact CB-CB 4.14Å; L17-C30 HydrophobicContact CD2-CB 4.42Å; L17-C30 PolarHBondContact N-O 3.36Å; L17-C30 PolarHBondContact O-N 2.98Å; C30-L168 HydrophobicContact CB-CD1 4.27Å; C30-F169 CarbonylContact C-O 3.46Å; C30-F169 VanDerWaalsContact CA-O 3.23Å; C30-F169 WeakPolarHBondContact CA-O 3.37Å; C30-F170 WeakPolarHBondContact SG-CD2 3.41Å; C30-F170 VanDerWaalsContact SG-CE2 3.56Å
31	Y	78.1	Confident	71.6	Confident	68 Å²	68	64.9 Å²	64.9	27%	0.267	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.5	176.7	-55.1	-100.1	0	0	0	109.5	F16 E29 L168 F169	F16-Y31 HydrophobicContact CB-CD1 4.5Å; F16-Y31 AromaticContact CD2-CD1 3.27Å; F16-Y31 HydrophobicContact CD2-CD1 3.27Å; F16-Y31 HydrophobicContact CD2-CD2 4.33Å; F16-Y31 AromaticContact CD2-CE1 3.14Å; F16-Y31 HydrophobicContact CD2-CE1 3.14Å; F16-Y31 HydrophobicContact CD2-CE2 4.24Å; F16-Y31 AromaticContact CD2-CG 3.89Å; F16-Y31 HydrophobicContact CD2-CG 3.89Å; F16-Y31 AromaticContact CD2-CZ 3.67Å; F16-Y31 HydrophobicContact CE1-CE1 4.46Å; F16-Y31 AromaticContact CE2-CD1 3.65Å; F16-Y31 HydrophobicContact CE2-CD1 3.65Å; F16-Y31 HydrophobicContact CE2-CD2 4.2Å; F16-Y31 AromaticContact CE2-CE1 3.03Å; F16-Y31 HydrophobicContact CE2-CE1 3.03Å; F16-Y31 AromaticContact CE2-CE2 3.69Å; F16-Y31 HydrophobicContact CE2-CE2 3.69Å; F16-Y31 HydrophobicContact CE2-CG 4.19Å; F16-Y31 AromaticContact CE2-CZ 3.05Å; F16-Y31 VanDerWaalsContact CE2-OH 3.27Å; F16-Y31 WeakPolarHBondContact CE2-OH 3.49Å; F16-Y31 HydrophobicContact CG-CD1 4.11Å; F16-Y31 AromaticContact CG-CE1 3.98Å; F16-Y31 HydrophobicContact CG-CE1 3.98Å; F16-Y31 AromaticContact CZ-CE1 3.71Å; F16-Y31 HydrophobicContact CZ-CE1 3.71Å; F16-Y31 AromaticContact CZ-CZ 3.69Å; F16-Y31 WeakPolarHBondContact CZ-OH 3.27Å; E29-Y31 HydrophobicContact CB-CD2 4.34Å; E29-Y31 HydrophobicContact CB-CE2 3.56Å; E29-Y31 HydrophobicContact CG-CE2 4.41Å; E29-Y31 VanDerWaalsContact OE2-CE2 3.28Å; E29-Y31 WeakPolarHBondContact OE2-CE2 3.4Å; E29-Y31 PolarHBondContact OE2-OH 2.81Å; Y31-L168 CarbonylContact O-C 3.6Å; Y31-L168 WeakPolarHBondContact O-CA 3.44Å; Y31-F169 HydrophobicContact CD2-CB 4.16Å; Y31-F169 AromaticContact CD2-CD1 3.69Å; Y31-F169 HydrophobicContact CD2-CD1 3.69Å; Y31-F169 HydrophobicContact CD2-CG 4.4Å; Y31-F169 AromaticContact CE2-CD1 3.96Å; Y31-F169 HydrophobicContact CE2-CD1 3.96Å; Y31-F169 PolarHBondContact N-O 2.83Å; Y31-F169 PolarHBondContact O-N 2.92Å
32	S	75.3	Confident	73.1	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.021	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	109.8	175	-172.1	0	0	0	0	110.2	C14 T15 R166 I167	C14-S32 CarbonylContact C-O 3.53Å; C14-S32 WeakPolarHBondContact CA-O 3.26Å; T15-S32 PolarHBondContact N-O 3.46Å; T15-S32 PolarHBondContact O-N 3.37Å; S32-R166 WeakPolarHBondContact OG-CD 3.48Å; S32-R166 WeakPolarHBondContact OG-CG 3.27Å; S32-R166 PolarHBondContact OG-NH1 3.45Å; S32-I167 CarbonylContact C-O 3.54Å; S32-I167 VanDerWaalsContact CA-O 3.25Å; S32-I167 WeakPolarHBondContact CA-O 3.42Å
33	C	76.5	Confident	74.5	Confident	45 Å²	45	65.5 Å²	65.5	30%	0.304	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.2	-176.8	-66	0	0	0	0	111.9	C14 R166 I167	C14-C33 HydrophobicContact CB-CB 4.28Å; C14-C33 WeakPolarHBondContact CB-SG 3.36Å; C14-C33 WeakPolarHBondContact SG-CB 3.48Å; C14-C33 CovalentContact SG-SG 2.06Å; C14-C33 PolarHBondContact SG-SG 3.21Å; C33-R166 CarbonylContact O-C 3.5Å; C33-R166 VanDerWaalsContact O-CA 3.27Å; C33-R166 WeakPolarHBondContact O-CA 3.19Å; C33-R166 WeakPolarHBondContact O-CG 3.43Å; C33-I167 PolarHBondContact N-O 3.07Å; C33-I167 PolarHBondContact O-N 2.8Å
34	K	77.4	Confident	76	Confident	112 Å²	112	66.3 Å²	66.3	49%	0.487	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.2	171.7	-175.7	177.3	-177.5	177	0	109.9	G13 V36	G13-K34 PolarHBondContact O-N 3.02Å; K34-V36 PolarHBondContact O-N 3.49Å
35	M	75.8	Confident	77.3	Confident	74 Å²	74	69.9 Å²	69.9	37%	0.365	35%	0.348	S	S	.	.			trans	-63.5	124.3	175.8	-172.9	-179.7	-78.8	0	0	111	D39 K40	M35-D39 WeakPolarHBondContact CA-OD2 3.21Å; M35-D39 HydrophobicContact CG-CB 3.65Å; M35-K40 HydrophobicContact CG-CG 4.43Å; M35-K40 HydrophobicContact SD-CG 4.13Å
36	V	79.2	Confident	78.4	Confident	53 Å²	53	72.8 Å²	72.8	32%	0.321	36%	0.356	S	S	.	.			trans	-103.2	173.6	177.1	-60.3	0	0	0	0	112	K34 A38 D39 K40	K34-V36 PolarHBondContact O-N 3.49Å; V36-A38 VanDerWaalsContact C-N 3.3Å; V36-A38 HydrophobicContact CG2-CB 4.38Å; V36-A38 PolarHBondContact O-N 3.2Å; V36-D39 VanDerWaalsContact CG2-OD2 3.26Å; V36-D39 WeakPolarHBondContact CG2-OD2 3.39Å; V36-D39 PolarHBondContact N-OD2 3.46Å; V36-D39 WeakPolarHBondContact O-CB 3.15Å; V36-D39 PolarHBondContact O-N 3.37Å; V36-D39 VanDerWaalsContact O-N 3.08Å; V36-K40 PolarHBondContact O-N 2.9Å
37	T	78.2	Confident	79.3	Confident	118 Å²	118	73.5 Å²	73.5	72%	0.724	36%	0.36	S	S	*	.	H	α-helix	trans	-59.7	-37.4	-175.6	-54.2	0	0	0	0	113.2	D39 K40	T37-D39 VanDerWaalsContact C-N 3.32Å; T37-D39 PolarHBondContact O-N 3.21Å; T37-K40 WeakPolarHBondContact O-CB 2.8Å; T37-K40 PolarHBondContact O-N 3.12Å
38	A	80.5	Confident	80.1	Confident	67 Å²	67	76 Å²	76	55%	0.554	38%	0.379	S	S	*	.	H	α-helix	trans	-60.8	-42.5	174.9	0	0	0	0	0	111.4	V36 K40 R41 S42	V36-A38 VanDerWaalsContact C-N 3.3Å; V36-A38 HydrophobicContact CG2-CB 4.38Å; V36-A38 PolarHBondContact O-N 3.2Å; A38-K40 VanDerWaalsContact C-N 3.27Å; A38-K40 PolarHBondContact O-N 2.63Å; A38-R41 WeakPolarHBondContact O-CB 3.26Å; A38-R41 PolarHBondContact O-N 3.32Å; A38-S42 PolarHBondContact O-N 2.06Å
39	D	81.2	Confident	80.8	Confident	53 Å²	53	79 Å²	79	28%	0.283	40%	0.398	S	S	.	.	H	α-helix	trans	-63.5	-32.8	179.3	-53	-23.9	0	0	0	111.9	M35 V36 T37 R41 S42 Y43	M35-D39 WeakPolarHBondContact CA-OD2 3.21Å; M35-D39 HydrophobicContact CG-CB 3.65Å; V36-D39 VanDerWaalsContact CG2-OD2 3.26Å; V36-D39 WeakPolarHBondContact CG2-OD2 3.39Å; V36-D39 PolarHBondContact N-OD2 3.46Å; V36-D39 WeakPolarHBondContact O-CB 3.15Å; V36-D39 PolarHBondContact O-N 3.37Å; V36-D39 VanDerWaalsContact O-N 3.08Å; T37-D39 VanDerWaalsContact C-N 3.32Å; T37-D39 PolarHBondContact O-N 3.21Å; D39-R41 PolarHBondContact O-N 2.92Å; D39-S42 PolarHBondContact O-N 2.82Å; D39-Y43 VanDerWaalsContact O-CB 3.27Å; D39-Y43 WeakPolarHBondContact O-CB 3.48Å; D39-Y43 PolarHBondContact O-N 2.93Å
40	K	81.2	Confident	81.2	Confident	109 Å²	109	84.4 Å²	84.4	47%	0.474	43%	0.434	S	S	.	.	H	α-helix	trans	-63.2	-27.5	175.4	-66	-176.9	178.7	-179	0	112.9	M35 V36 T37 A38 R44	M35-K40 HydrophobicContact CG-CG 4.43Å; M35-K40 HydrophobicContact SD-CG 4.13Å; V36-K40 PolarHBondContact O-N 2.9Å; T37-K40 WeakPolarHBondContact O-CB 2.8Å; T37-K40 PolarHBondContact O-N 3.12Å; A38-K40 VanDerWaalsContact C-N 3.27Å; A38-K40 PolarHBondContact O-N 2.63Å; K40-R44 WeakPolarHBondContact O-CG 3.16Å; K40-R44 PolarHBondContact O-N 2.89Å; K40-R44 PolarHBondContact O-NE 2.72Å; K40-R44 VanDerWaalsContact O-NE 3.07Å
41	R	84	Confident	81.4	Confident	179 Å²	179	88.2 Å²	88.2	68%	0.675	47%	0.474	S	S	*	.	H	α-helix	trans	-75.9	-47.4	173.1	-177.1	-177.2	-75.4	-177.3	-3.9	109.8	A38 D39 Y43 R44 N45	A38-R41 WeakPolarHBondContact O-CB 3.26Å; A38-R41 PolarHBondContact O-N 3.32Å; D39-R41 PolarHBondContact O-N 2.92Å; R41-Y43 VanDerWaalsContact C-N 3.31Å; R41-Y43 PolarHBondContact O-N 2.99Å; R41-R44 WeakPolarHBondContact O-CB 3.35Å; R41-R44 PolarHBondContact O-N 3.19Å; R41-R44 VanDerWaalsContact O-N 3.16Å; R41-N45 PolarHBondContact O-N 2.92Å
42	S	83.4	Confident	81.5	Confident	75 Å²	75	88.8 Å²	88.8	52%	0.524	48%	0.476	S	S	.	.	H	α-helix	trans	-59.5	-41.4	176.8	-57.1	0	0	0	0	112.2	A38 D39 R44 N45 F46	A38-S42 PolarHBondContact O-N 2.06Å; D39-S42 PolarHBondContact O-N 2.82Å; S42-R44 PolarHBondContact O-N 2.92Å; S42-N45 PolarHBondContact O-N 3.19Å; S42-F46 WeakPolarHBondContact O-CB 2.95Å; S42-F46 PolarHBondContact O-N 3.08Å
43	Y	83.7	Confident	81.2	Confident	86 Å²	86	96.9 Å²	96.9	34%	0.337	51%	0.514	S	S	.	.	H	α-helix	trans	-59	-45.2	174.3	174.7	-105.6	0	0	0	112	D39 R41 N45 F46 I47 G56	D39-Y43 VanDerWaalsContact O-CB 3.27Å; D39-Y43 WeakPolarHBondContact O-CB 3.48Å; D39-Y43 PolarHBondContact O-N 2.93Å; R41-Y43 VanDerWaalsContact C-N 3.31Å; R41-Y43 PolarHBondContact O-N 2.99Å; Y43-N45 VanDerWaalsContact C-N 3.33Å; Y43-N45 PolarHBondContact O-N 3.26Å; Y43-F46 WeakPolarHBondContact O-CB 3.28Å; Y43-F46 PolarHBondContact O-N 3.45Å; Y43-I47 HydrophobicContact CD1-CD1 4.47Å; Y43-I47 HydrophobicContact CD2-CG2 4.22Å; Y43-I47 HydrophobicContact CE1-CD1 4.09Å; Y43-I47 HydrophobicContact CE1-CG2 4.19Å; Y43-I47 HydrophobicContact CE2-CG2 3.76Å; Y43-I47 WeakPolarHBondContact O-CG1 3.3Å; Y43-I47 PolarHBondContact O-N 3.45Å; Y43-G56 WeakPolarHBondContact OH-CA 2.92Å; Y43-G56 PolarHBondContact OH-O 3.07Å
44	R	85	Confident	80.7	Confident	143 Å²	143	96.6 Å²	96.6	54%	0.54	52%	0.518	S	S	.	.	H	α-helix	trans	-60.7	-41.3	175.7	-81.9	-178.1	-87.9	166.1	-14	112.1	K40 R41 S42 F46 I47 N48	K40-R44 WeakPolarHBondContact O-CG 3.16Å; K40-R44 PolarHBondContact O-N 2.89Å; K40-R44 PolarHBondContact O-NE 2.72Å; K40-R44 VanDerWaalsContact O-NE 3.07Å; R41-R44 WeakPolarHBondContact O-CB 3.35Å; R41-R44 PolarHBondContact O-N 3.19Å; R41-R44 VanDerWaalsContact O-N 3.16Å; S42-R44 PolarHBondContact O-N 2.92Å; R44-F46 VanDerWaalsContact C-N 3.34Å; R44-I47 VanDerWaalsContact O-CG1 3.24Å; R44-I47 WeakPolarHBondContact O-CG1 3.39Å; R44-N48 VanDerWaalsContact O-CB 3.3Å; R44-N48 WeakPolarHBondContact O-CB 3.27Å; R44-N48 PolarHBondContact O-N 3.29Å; R44-N48 PolarHBondContact O-ND2 2.96Å
45	N	87.3	Confident	80.4	Confident	105 Å²	105	93.8 Å²	93.8	56%	0.561	52%	0.521	S	S	*	.	H	α-helix	trans	-66.2	-39	175.9	-65.1	-10.2	0	0	0	111.7	R41 S42 Y43 N48 T49	R41-N45 PolarHBondContact O-N 2.92Å; S42-N45 PolarHBondContact O-N 3.19Å; Y43-N45 VanDerWaalsContact C-N 3.33Å; Y43-N45 PolarHBondContact O-N 3.26Å; N45-N48 CarbonylContact O-C 3.59Å; N45-N48 PolarHBondContact O-N 2.65Å; N45-T49 PolarHBondContact O-N 2.58Å; N45-T49 VanDerWaalsContact O-N 3.14Å; N45-T49 PolarHBondContact O-OG1 3.06Å
46	F	85.9	Confident	80.3	Confident	109 Å²	109	92.1 Å²	92.1	48%	0.478	52%	0.523	S	S	.	.	H	α-helix	trans	-66.9	-41	-179.3	175.2	-106.6	0	0	0	113.7	S42 Y43 R44 N48 T49 R52	S42-F46 WeakPolarHBondContact O-CB 2.95Å; S42-F46 PolarHBondContact O-N 3.08Å; Y43-F46 WeakPolarHBondContact O-CB 3.28Å; Y43-F46 PolarHBondContact O-N 3.45Å; R44-F46 VanDerWaalsContact C-N 3.34Å; F46-N48 VanDerWaalsContact C-N 3.32Å; F46-T49 PolarHBondContact O-OG1 3.16Å; F46-R52 WeakPolarHBondContact O-CD 3.48Å; F46-R52 PolarHBondContact O-NH1 2.9Å; F46-R52 VanDerWaalsContact O-NH1 3.12Å
47	I	85.6	Confident	80	Confident	46 Å²	46	96.7 Å²	96.7	24%	0.236	55%	0.545	C	S	.	.	H	α-helix	trans	-72.4	-28.1	175.2	63.6	179	0	0	0	112.2	Y43 R44 T49	Y43-I47 HydrophobicContact CD1-CD1 4.47Å; Y43-I47 HydrophobicContact CD2-CG2 4.22Å; Y43-I47 HydrophobicContact CE1-CD1 4.09Å; Y43-I47 HydrophobicContact CE1-CG2 4.19Å; Y43-I47 HydrophobicContact CE2-CG2 3.76Å; Y43-I47 WeakPolarHBondContact O-CG1 3.3Å; Y43-I47 PolarHBondContact O-N 3.45Å; R44-I47 VanDerWaalsContact O-CG1 3.24Å; R44-I47 WeakPolarHBondContact O-CG1 3.39Å; I47-T49 VanDerWaalsContact C-N 3.33Å
48	N	86.3	Confident	80	Confident	121 Å²	121	93.1 Å²	93.1	65%	0.647	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	9.4	-179.8	-65.8	-25.9	0	0	0	112.9	R44 N45 F46	R44-N48 VanDerWaalsContact O-CB 3.3Å; R44-N48 WeakPolarHBondContact O-CB 3.27Å; R44-N48 PolarHBondContact O-N 3.29Å; R44-N48 PolarHBondContact O-ND2 2.96Å; N45-N48 CarbonylContact O-C 3.59Å; N45-N48 PolarHBondContact O-N 2.65Å; F46-N48 VanDerWaalsContact C-N 3.32Å
49	T	86	Confident	79.6	Confident	72 Å²	72	97.6 Å²	97.6	44%	0.442	54%	0.539	S	S	.	.			trans	-68.2	126.1	179.3	-61.4	0	0	0	0	109.8	N45 F46 I47 G51 R52	N45-T49 PolarHBondContact O-N 2.58Å; N45-T49 VanDerWaalsContact O-N 3.14Å; N45-T49 PolarHBondContact O-OG1 3.06Å; F46-T49 PolarHBondContact O-OG1 3.16Å; I47-T49 VanDerWaalsContact C-N 3.33Å; T49-G51 PolarHBondContact O-N 2.62Å; T49-R52 WeakPolarHBondContact O-CB 3.23Å; T49-R52 PolarHBondContact O-N 2.84Å
50	P	81.6	Confident	79.3	Confident	127 Å²	127	100.1 Å²	100.1	83%	0.825	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	136.6	178.3	-24.6	33.7	0	0	0	112	R52	P50-R52 VanDerWaalsContact C-N 3.34Å
51	G	78.1	Confident	78.7	Confident	87 Å²	87	99.2 Å²	99.2	90%	0.897	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.2	-2.3	-178.3	0	0	0	0	0	114.8	T49	T49-G51 PolarHBondContact O-N 2.62Å
52	R	79.6	Confident	77.9	Confident	81 Å²	81	94.8 Å²	94.8	31%	0.306	54%	0.544	S	S	.	.			trans	-85	122.9	171	-168.9	-174.2	-162.7	119.9	9.8	111.1	F46 T49 P50	F46-R52 WeakPolarHBondContact O-CD 3.48Å; F46-R52 PolarHBondContact O-NH1 2.9Å; F46-R52 VanDerWaalsContact O-NH1 3.12Å; T49-R52 WeakPolarHBondContact O-CB 3.23Å; T49-R52 PolarHBondContact O-N 2.84Å; P50-R52 VanDerWaalsContact C-N 3.34Å
53	E	68.8	Low	76.8	Confident	172 Å²	172	92.2 Å²	92.2	80%	0.804	53%	0.526	S	S	*	.			trans	-92.2	126	171	-63.2	-174.2	171	0	0	110.4
54	G	65.9	Low	75.7	Confident	39 Å²	39	92.6 Å²	92.6	40%	0.402	54%	0.539	S	S	.	.	S	Bend	trans	108.5	135.8	174.2	0	0	0	0	0	114.8
55	G	71.4	Confident	74.3	Confident	53 Å²	53	91.3 Å²	91.3	55%	0.546	55%	0.549	S	S	.	.			trans	-74.5	-170.9	175.9	0	0	0	0	0	113.1	N57 S58	G55-N57 PolarHBondContact O-N 2.88Å; G55-S58 VanDerWaalsContact O-CB 3.32Å; G55-S58 WeakPolarHBondContact O-CB 3.15Å; G55-S58 PolarHBondContact O-N 2.89Å; G55-S58 PolarHBondContact O-OG 2.8Å
56	G	72.9	Confident	72.7	Confident	39 Å²	39	89.4 Å²	89.4	40%	0.402	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-23.1	-173.2	0	0	0	0	0	117.7	Y43	Y43-G56 WeakPolarHBondContact OH-CA 2.92Å; Y43-G56 PolarHBondContact OH-O 3.07Å
57	N	74.5	Confident	70.9	Confident	149 Å²	149	93.8 Å²	93.8	80%	0.797	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	8.1	179.4	-65.5	-28.2	0	0	0	113	G55	G55-N57 PolarHBondContact O-N 2.88Å
58	S	76.4	Confident	69	Low	44 Å²	44	99 Å²	99	31%	0.308	59%	0.592	S	S	.	*			trans	-67.2	132.4	175.6	59.6	0	0	0	0	110.4	G55	G55-S58 VanDerWaalsContact O-CB 3.32Å; G55-S58 WeakPolarHBondContact O-CB 3.15Å; G55-S58 PolarHBondContact O-N 2.89Å; G55-S58 PolarHBondContact O-OG 2.8Å
59	L	73.3	Confident	66.7	Low	160 Å²	160	101 Å²	101	84%	0.838	60%	0.603	S	S	*	*			trans	-77.5	133.2	175.9	-62.7	178	0	0	0	109
60	Q	74.3	Confident	64.4	Low	107 Å²	107	103.9 Å²	103.9	50%	0.5	62%	0.624	S	S	.	*			trans	-128.4	140.5	177.8	-66.4	-67.5	-40.9	0	0	108.3
61	P	68	Low	62.5	Low	90 Å²	90	103.5 Å²	103.5	58%	0.584	62%	0.619	S	S	*	*			trans	-67.6	135.8	179.7	29.2	-34.4	0	0	0	110.6	S63	P61-S63 WeakPolarHBondContact CB-O 3.32Å
62	L	67.7	Low	60.7	Low	85 Å²	85	103.6 Å²	103.6	45%	0.445	60%	0.604	S	S	.	*	S	Bend	trans	-80.1	-19.6	177.3	-72.3	170.3	0	0	0	113.4	Y135 I158	L62-Y135 HydrophobicContact CD1-CD1 3.88Å; L62-Y135 HydrophobicContact CD1-CG 3.68Å; L62-I158 HydrophobicContact CD1-CD1 4.39Å; L62-I158 HydrophobicContact CD2-CD1 4.42Å
63	S	60.5	Low	58.8	Low	22 Å²	22	104.9 Å²	104.9	15%	0.154	62%	0.621	C	S	.	*	S	Bend	trans	-138.2	147.3	173.2	-54.2	0	0	0	0	106.5	P61 L138	P61-S63 WeakPolarHBondContact CB-O 3.32Å; S63-L138 PolarHBondContact OG-N 2.97Å; S63-L138 PolarHBondContact OG-O 2.95Å
64	P	60.4	Low	57.6	Low	93 Å²	93	102.5 Å²	102.5	60%	0.604	61%	0.608	S	S	*	*			trans	-45.2	136.4	173	-27.8	31.1	0	0	0	111	S66 L140	P64-S66 PolarHBondContact O-N 2.76Å; P64-L140 HydrophobicContact CB-CD1 3.98Å; P64-L140 HydrophobicContact CG-CD1 4.25Å; P64-L140 WeakPolarHBondContact O-CD1 3.32Å
65	P	55.7	Low	56.4	Low	116 Å²	116	108.8 Å²	108.8	75%	0.753	62%	0.624	S	S	*	*			trans	-63.7	102.6	179.3	24.5	-31.3	0	0	0	109
66	S	53.1	Low	55.5	Low	65 Å²	65	109.9 Å²	109.9	46%	0.455	62%	0.616	S	S	.	*			trans	-68.4	142.7	161.7	47.1	0	0	0	0	108.2	P64 E68	P64-S66 PolarHBondContact O-N 2.76Å; S66-E68 PolarHBondContact O-N 2.75Å; S66-E68 PolarHBondContact OG-O 2.82Å
67	M	49.3	Very low	54.4	Low	201 Å²	201	112.8 Å²	112.8	99%	0.99	63%	0.629	S	S	*	*	S	Bend	trans	-65.3	5.5	179.5	-73.7	-115.2	-141.9	0	0	114.2
68	E	45.1	Very low	53.6	Low	156 Å²	156	111.3 Å²	111.3	73%	0.729	62%	0.621	S	S	*	*	S	Bend	trans	-133.4	114.9	-172.4	-66.5	174.6	168	0	0	109.2	S66	S66-E68 PolarHBondContact O-N 2.75Å; S66-E68 PolarHBondContact OG-O 2.82Å
69	D	38.9	Very low	52.6	Low	164 Å²	164	115.1 Å²	115.1	88%	0.877	64%	0.643	S	S	*	*			trans	57.4	95.5	161.6	-59.6	-31.6	0	0	0	120.5
70	C	36.3	Very low	52.3	Low	131 Å²	131	111 Å²	111	89%	0.885	62%	0.621	S	S	*	*			trans	-115.8	86.2	167.8	-151.3	0	0	0	0	111.1
71	V	42.8	Very low	52	Low	120 Å²	120	109 Å²	109	73%	0.727	62%	0.619	S	S	*	*			trans	-135.7	109.8	161.4	-172.3	0	0	0	0	108.6	T73	V71-T73 VanDerWaalsContact C-N 3.32Å; V71-T73 PolarHBondContact O-N 2.9Å
72	P	40.7	Very low	52	Low	88 Å²	88	111.3 Å²	111.3	57%	0.571	63%	0.626	S	S	*	*			trans	-83.9	81.7	176.7	33.2	-29.8	0	0	0	108.8
73	T	38.4	Very low	51.9	Low	109 Å²	109	113.5 Å²	113.5	67%	0.669	63%	0.632	S	S	*	*			trans	-86.2	116	162.9	-41.7	0	0	0	0	106.9	V71 K75	V71-T73 VanDerWaalsContact C-N 3.32Å; V71-T73 PolarHBondContact O-N 2.9Å; T73-K75 PolarHBondContact O-N 2.95Å
74	F	44.8	Very low	52	Low	121 Å²	121	114.4 Å²	114.4	53%	0.531	64%	0.636	S	S	.	*			trans	-62	90.6	167.1	-175.7	-95.2	0	0	0	108	M76 W120	F74-M76 HydrophobicContact CE1-CE 4.48Å; F74-M76 HydrophobicContact CE1-CG 3.92Å; F74-M76 HydrophobicContact CZ-CE 4.46Å; F74-M76 HydrophobicContact CZ-CG 4.24Å; F74-W120 HydrophobicContact CE2-CH2 4.5Å; F74-W120 HydrophobicContact CZ-CH2 4.16Å; F74-W120 HydrophobicContact CZ-CZ2 4.49Å
75	K	40.6	Very low	52.3	Low	171 Å²	171	112.7 Å²	112.7	74%	0.743	62%	0.622	S	S	*	*			trans	-105.2	107.2	170.3	-164.6	173.5	-175.6	179.2	0	106.8	T73 C77	T73-K75 PolarHBondContact O-N 2.95Å; K75-C77 PolarHBondContact O-N 3.29Å
76	M	51.2	Low	53.1	Low	77 Å²	77	112.6 Å²	112.6	38%	0.379	61%	0.61	S	S	.	*			trans	-56.7	108.4	160.3	-83.1	176.6	156	0	0	106.9	F74 D78 W120	F74-M76 HydrophobicContact CE1-CE 4.48Å; F74-M76 HydrophobicContact CE1-CG 3.92Å; F74-M76 HydrophobicContact CZ-CE 4.46Å; F74-M76 HydrophobicContact CZ-CG 4.24Å; M76-D78 PolarHBondContact O-N 3.06Å; M76-W120 HydrophobicContact CE-CD2 4.12Å; M76-W120 HydrophobicContact CE-CG 4.33Å; M76-W120 HydrophobicContact CE-CZ2 3.59Å
77	C	51.2	Low	53.7	Low	100 Å²	100	113.7 Å²	113.7	68%	0.676	60%	0.604	S	S	*	*			trans	-65.8	105.1	173.6	-70.7	0	0	0	0	107.8	K75 V79	K75-C77 PolarHBondContact O-N 3.29Å; C77-V79 PolarHBondContact O-N 3.45Å; C77-V79 VanDerWaalsContact O-N 3.15Å
78	D	56.5	Low	54.5	Low	118 Å²	118	105.1 Å²	105.1	63%	0.631	56%	0.563	S	S	*	*	S	Bend	trans	-68.5	-4.1	174.7	-72.1	-46.7	0	0	0	112.9	M76 K112	M76-D78 PolarHBondContact O-N 3.06Å; D78-K112 IonicContact OD1-NZ 2.72Å; D78-K112 PolarHBondContact OD1-NZ 3.04Å; D78-K112 IonicContact OD2-NZ 3.97Å
79	V	55.6	Low	55.8	Low	124 Å²	124	99.1 Å²	99.1	75%	0.752	54%	0.535	S	S	*	.			trans	-127.1	126.6	-176.3	-173.4	0	0	0	0	109.4	C77	C77-V79 PolarHBondContact O-N 3.45Å; C77-V79 VanDerWaalsContact O-N 3.15Å
80	I	67.1	Low	57.4	Low	74 Å²	74	95.6 Å²	95.6	38%	0.379	51%	0.513	S	S	.	.			trans	-126.8	156.7	171.1	61.8	174.5	0	0	0	109	T84 L85 L88	I80-T84 HydrophobicContact CB-CG2 4.23Å; I80-T84 HydrophobicContact CD1-CG2 4.32Å; I80-L85 HydrophobicContact CD1-CB 3.88Å; I80-L85 HydrophobicContact CD1-CD1 4.06Å; I80-L85 HydrophobicContact CG1-CB 4.17Å; I80-L88 HydrophobicContact CD1-CD2 3.99Å
81	S	67.9	Low	58.8	Low	65 Å²	65	89.5 Å²	89.5	46%	0.455	47%	0.472	S	S	.	.			trans	-66	150.7	175.8	81	0	0	0	0	111.2	K83 T84 L85	S81-K83 PolarHBondContact O-N 3.37Å; S81-K83 VanDerWaalsContact O-N 3.14Å; S81-T84 CarbonylContact O-C 3.59Å; S81-T84 WeakPolarHBondContact O-CA 3.37Å; S81-T84 WeakPolarHBondContact O-CB 3.31Å; S81-T84 PolarHBondContact O-N 2.75Å; S81-T84 PolarHBondContact OG-N 3.49Å; S81-T84 VanDerWaalsContact OG-N 3.07Å; S81-T84 PolarHBondContact OG-OG1 2.7Å; S81-L85 PolarHBondContact O-N 3.34Å
82	N	68.9	Low	59.9	Low	138 Å²	138	84.4 Å²	84.4	74%	0.738	44%	0.441	S	S	*	.	H	α-helix	trans	-55.8	-32	175.2	-78	-19.5	0	0	0	112.8	L85 F86	N82-L85 PolarHBondContact O-N 2.7Å; N82-F86 WeakPolarHBondContact O-CB 3.47Å; N82-F86 PolarHBondContact O-N 3.31Å
83	K	64.9	Low	61.3	Low	131 Å²	131	82 Å²	82	57%	0.57	42%	0.423	S	S	*	.	H	α-helix	trans	-65.9	-45.2	174.4	-174.9	175.4	-177.9	177.7	0	111.5	S81 L85 F86 Y87	S81-K83 PolarHBondContact O-N 3.37Å; S81-K83 VanDerWaalsContact O-N 3.14Å; K83-L85 VanDerWaalsContact C-N 3.34Å; K83-F86 PolarHBondContact O-N 3.07Å; K83-Y87 HydrophobicContact CD-CE2 4.31Å; K83-Y87 HydrophobicContact CG-CD2 4.15Å; K83-Y87 HydrophobicContact CG-CE2 3.66Å; K83-Y87 WeakPolarHBondContact O-CD2 3.44Å; K83-Y87 PolarHBondContact O-N 2.76Å
84	T	61.8	Low	62.6	Low	41 Å²	41	78.5 Å²	78.5	25%	0.252	41%	0.405	S	S	.	.	H	α-helix	trans	-64.1	-41.4	174.7	-50	0	0	0	0	111.1	I80 S81 Y87 L88	I80-T84 HydrophobicContact CB-CG2 4.23Å; I80-T84 HydrophobicContact CD1-CG2 4.32Å; S81-T84 CarbonylContact O-C 3.59Å; S81-T84 WeakPolarHBondContact O-CA 3.37Å; S81-T84 WeakPolarHBondContact O-CB 3.31Å; S81-T84 PolarHBondContact O-N 2.75Å; S81-T84 PolarHBondContact OG-N 3.49Å; S81-T84 VanDerWaalsContact OG-N 3.07Å; S81-T84 PolarHBondContact OG-OG1 2.7Å; T84-Y87 PolarHBondContact O-N 2.8Å; T84-L88 WeakPolarHBondContact O-CB 3.44Å; T84-L88 PolarHBondContact O-N 3.01Å
85	L	67.4	Low	63.3	Low	57 Å²	57	73.5 Å²	73.5	30%	0.298	39%	0.386	S	S	.	.	H	α-helix	trans	-59.4	-47.1	176.4	177.7	61.4	0	0	0	111.6	I80 S81 N82 K83 L88 I89 I111	I80-L85 HydrophobicContact CD1-CB 3.88Å; I80-L85 HydrophobicContact CD1-CD1 4.06Å; I80-L85 HydrophobicContact CG1-CB 4.17Å; S81-L85 PolarHBondContact O-N 3.34Å; N82-L85 PolarHBondContact O-N 2.7Å; K83-L85 VanDerWaalsContact C-N 3.34Å; L85-L88 PolarHBondContact O-N 3.43Å; L85-I89 HydrophobicContact CD1-CD1 3.99Å; L85-I89 HydrophobicContact CD1-CG1 4.25Å; L85-I89 HydrophobicContact CG-CD1 3.95Å; L85-I89 WeakPolarHBondContact O-CG1 3.25Å; L85-I89 PolarHBondContact O-N 2.87Å; L85-I111 HydrophobicContact CD1-CD1 3.2Å
86	F	71.8	Confident	64.4	Low	114 Å²	114	69.6 Å²	69.6	50%	0.5	37%	0.369	S	S	.	.	H	α-helix	trans	-56.5	-51.8	175.8	172.6	-97.1	0	0	0	111.7	N82 K83 L88 I89 E90	N82-F86 WeakPolarHBondContact O-CB 3.47Å; N82-F86 PolarHBondContact O-N 3.31Å; K83-F86 PolarHBondContact O-N 3.07Å; F86-L88 PolarHBondContact O-N 3.03Å; F86-I89 PolarHBondContact O-N 3.36Å; F86-E90 HydrophobicContact CD1-CG 4.43Å; F86-E90 HydrophobicContact CD2-CG 4.44Å; F86-E90 HydrophobicContact CE1-CG 3.97Å; F86-E90 HydrophobicContact CE2-CG 3.98Å; F86-E90 HydrophobicContact CZ-CG 3.72Å; F86-E90 WeakPolarHBondContact O-CG 3.35Å; F86-E90 PolarHBondContact O-N 2.7Å
87	Y	66.1	Low	65.1	Low	87 Å²	87	70 Å²	70	34%	0.341	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-34.1	178.6	-69.8	-52.4	0	0	0	113.1	K83 T84 T91	K83-Y87 HydrophobicContact CD-CE2 4.31Å; K83-Y87 HydrophobicContact CG-CD2 4.15Å; K83-Y87 HydrophobicContact CG-CE2 3.66Å; K83-Y87 WeakPolarHBondContact O-CD2 3.44Å; K83-Y87 PolarHBondContact O-N 2.76Å; T84-Y87 PolarHBondContact O-N 2.8Å; Y87-T91 VanDerWaalsContact O-CB 3.25Å; Y87-T91 WeakPolarHBondContact O-CB 3.43Å; Y87-T91 PolarHBondContact O-N 2.63Å; Y87-T91 PolarHBondContact O-OG1 3.46Å
88	L	67.3	Low	66	Low	21 Å²	21	73.3 Å²	73.3	11%	0.11	39%	0.388	C	S	.	.	H	α-helix	trans	-69.8	-43.8	177.4	-177.9	55.5	0	0	0	111.8	I80 T84 L85 F86 T91 L92 I111 F115	I80-L88 HydrophobicContact CD1-CD2 3.99Å; T84-L88 WeakPolarHBondContact O-CB 3.44Å; T84-L88 PolarHBondContact O-N 3.01Å; L85-L88 PolarHBondContact O-N 3.43Å; F86-L88 PolarHBondContact O-N 3.03Å; L88-T91 PolarHBondContact O-N 3.26Å; L88-L92 HydrophobicContact CD1-CD1 4.13Å; L88-L92 HydrophobicContact CD1-CG 4.19Å; L88-L92 HydrophobicContact CG-CD1 4.09Å; L88-L92 WeakPolarHBondContact O-CB 3.48Å; L88-L92 VanDerWaalsContact O-CG 3.22Å; L88-L92 WeakPolarHBondContact O-CG 3.18Å; L88-L92 PolarHBondContact O-N 3.48Å; L88-I111 HydrophobicContact CD2-CD1 3.96Å; L88-I111 HydrophobicContact CD2-CG2 3.37Å; L88-I111 HydrophobicContact CG-CD1 4.09Å; L88-I111 HydrophobicContact CG-CG2 4.08Å; L88-F115 HydrophobicContact CD1-CE2 4.41Å; L88-F115 HydrophobicContact CD1-CZ 3.97Å; L88-F115 HydrophobicContact CD2-CE2 4.05Å; L88-F115 HydrophobicContact CD2-CZ 4.37Å
89	I	70.8	Confident	66.4	Low	31 Å²	31	70.9 Å²	70.9	16%	0.159	37%	0.371	C	S	.	.	H	α-helix	trans	-59.2	-49.1	173.9	-71.6	170	0	0	0	110.4	L85 F86 T91 L92 N93 F101 I111	L85-I89 HydrophobicContact CD1-CD1 3.99Å; L85-I89 HydrophobicContact CD1-CG1 4.25Å; L85-I89 HydrophobicContact CG-CD1 3.95Å; L85-I89 WeakPolarHBondContact O-CG1 3.25Å; L85-I89 PolarHBondContact O-N 2.87Å; F86-I89 PolarHBondContact O-N 3.36Å; I89-T91 VanDerWaalsContact C-N 3.31Å; I89-T91 PolarHBondContact O-N 2.98Å; I89-L92 PolarHBondContact O-N 3.49Å; I89-N93 WeakPolarHBondContact CG2-ND2 3.01Å; I89-N93 WeakPolarHBondContact O-CB 3.4Å; I89-N93 VanDerWaalsContact O-CG 3.28Å; I89-N93 PolarHBondContact O-N 2.89Å; I89-N93 PolarHBondContact O-ND2 2.91Å; I89-F101 HydrophobicContact CG2-CB 4.12Å; I89-F101 WeakPolarHBondContact CG2-O 3.22Å; I89-I111 HydrophobicContact CG1-CD1 3.9Å
90	E	73.3	Confident	66.9	Low	89 Å²	89	69.9 Å²	69.9	42%	0.416	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-42.3	178	-74.2	-59.7	114.3	0	0	111.9	F86 N93 A94	F86-E90 HydrophobicContact CD1-CG 4.43Å; F86-E90 HydrophobicContact CD2-CG 4.44Å; F86-E90 HydrophobicContact CE1-CG 3.97Å; F86-E90 HydrophobicContact CE2-CG 3.98Å; F86-E90 HydrophobicContact CZ-CG 3.72Å; F86-E90 WeakPolarHBondContact O-CG 3.35Å; F86-E90 PolarHBondContact O-N 2.7Å; E90-N93 PolarHBondContact O-N 2.86Å; E90-A94 WeakPolarHBondContact O-CB 3.27Å; E90-A94 PolarHBondContact O-N 2.76Å
91	T	65.1	Low	66.7	Low	4 Å²	4	67.2 Å²	67.2	3%	0.025	35%	0.351	C	S	.	.	H	α-helix	trans	-61.3	-49.8	176.8	-61.8	0	0	0	0	110.2	F21 S24 F26 Y87 L88 I89 A94 S95	F21-T91 HydrophobicContact CB-CG2 4.1Å; F21-T91 HydrophobicContact CD1-CG2 4.15Å; F21-T91 HydrophobicContact CD2-CG2 3.23Å; F21-T91 HydrophobicContact CE2-CG2 3.6Å; F21-T91 HydrophobicContact CG-CG2 3.51Å; F21-T91 HydrophobicContact CZ-CG2 4.22Å; S24-T91 PolarHBondContact OG-OG1 2.9Å; F26-T91 HydrophobicContact CB-CG2 4.15Å; F26-T91 HydrophobicContact CD1-CG2 4Å; F26-T91 HydrophobicContact CG-CG2 4.14Å; Y87-T91 VanDerWaalsContact O-CB 3.25Å; Y87-T91 WeakPolarHBondContact O-CB 3.43Å; Y87-T91 PolarHBondContact O-N 2.63Å; Y87-T91 PolarHBondContact O-OG1 3.46Å; L88-T91 PolarHBondContact O-N 3.26Å; I89-T91 VanDerWaalsContact C-N 3.31Å; I89-T91 PolarHBondContact O-N 2.98Å; T91-A94 CarbonylContact O-C 3.54Å; T91-A94 WeakPolarHBondContact O-CB 3.43Å; T91-A94 PolarHBondContact O-N 2.76Å; T91-A94 VanDerWaalsContact O-N 3.14Å; T91-S95 PolarHBondContact O-N 2.7Å; T91-S95 PolarHBondContact O-OG 3.21Å
92	L	66.9	Low	66.4	Low	12 Å²	12	70.8 Å²	70.8	6%	0.063	36%	0.358	C	S	.	.	H	α-helix	trans	-62.7	-44	179.5	-71.5	171.1	0	0	0	112.1	L88 I89 A94 S95 F96 F101 I111 I114	L88-L92 HydrophobicContact CD1-CD1 4.13Å; L88-L92 HydrophobicContact CD1-CG 4.19Å; L88-L92 HydrophobicContact CG-CD1 4.09Å; L88-L92 WeakPolarHBondContact O-CB 3.48Å; L88-L92 VanDerWaalsContact O-CG 3.22Å; L88-L92 WeakPolarHBondContact O-CG 3.18Å; L88-L92 PolarHBondContact O-N 3.48Å; I89-L92 PolarHBondContact O-N 3.49Å; L92-A94 PolarHBondContact O-N 2.85Å; L92-S95 WeakPolarHBondContact CA-OG 3.28Å; L92-S95 WeakPolarHBondContact O-CA 3.48Å; L92-S95 VanDerWaalsContact O-CB 3.3Å; L92-S95 WeakPolarHBondContact O-CB 3.09Å; L92-S95 PolarHBondContact O-N 3.49Å; L92-F96 HydrophobicContact CD2-CD2 4.42Å; L92-F96 HydrophobicContact CD2-CE2 4.01Å; L92-F96 PolarHBondContact O-N 2.87Å; L92-F101 HydrophobicContact CB-CB 4.26Å; L92-F101 HydrophobicContact CB-CD1 3.66Å; L92-F101 HydrophobicContact CB-CD2 3.41Å; L92-F101 VanDerWaalsContact CB-CD2 3.41Å; L92-F101 HydrophobicContact CB-CE1 3.78Å; L92-F101 HydrophobicContact CB-CE2 3.54Å; L92-F101 HydrophobicContact CB-CG 3.48Å; L92-F101 VanDerWaalsContact CB-CG 3.48Å; L92-F101 HydrophobicContact CB-CZ 3.74Å; L92-F101 HydrophobicContact CD1-CD1 3.72Å; L92-F101 HydrophobicContact CD1-CE1 3.99Å; L92-F101 HydrophobicContact CD1-CG 4.23Å; L92-F101 HydrophobicContact CD2-CE1 4.25Å; L92-F101 HydrophobicContact CD2-CZ 4.34Å; L92-F101 HydrophobicContact CG-CD1 4.24Å; L92-F101 HydrophobicContact CG-CE1 4.23Å; L92-F101 HydrophobicContact CG-CG 4.48Å; L92-F101 HydrophobicContact CG-CZ 4.48Å; L92-F101 WeakPolarHBondContact O-CE2 3.19Å; L92-I111 HydrophobicContact CD1-CG1 4.08Å; L92-I111 HydrophobicContact CD1-CG2 4.5Å; L92-I114 HydrophobicContact CD2-CG2 4.25Å
93	N	69.7	Low	65.7	Low	37 Å²	37	69.4 Å²	69.4	20%	0.198	35%	0.351	C	S	.	.	H	α-helix	trans	-56.1	-39.1	173.9	-77.9	-29.5	0	0	0	111.3	I89 E90 F96 F101	I89-N93 WeakPolarHBondContact CG2-ND2 3.01Å; I89-N93 WeakPolarHBondContact O-CB 3.4Å; I89-N93 VanDerWaalsContact O-CG 3.28Å; I89-N93 PolarHBondContact O-N 2.89Å; I89-N93 PolarHBondContact O-ND2 2.91Å; E90-N93 PolarHBondContact O-N 2.86Å; N93-F96 CarbonylContact O-C 3.55Å; N93-F101 HydrophobicContact CB-CD2 4.43Å; N93-F101 WeakPolarHBondContact OD1-CB 3.28Å; N93-F101 WeakPolarHBondContact OD1-CD2 3.25Å; N93-F101 PolarHBondContact OD1-N 2.83Å
94	A	65.1	Low	64.8	Low	36 Å²	36	67.9 Å²	67.9	30%	0.298	36%	0.363	S	S	.	.	H	α-helix	trans	-74.6	-34.7	174.8	0	0	0	0	0	112.7	S3 E90 T91 L92	S3-A94 VanDerWaalsContact OG-C 3.31Å; S3-A94 PolarHBondContact OG-O 3.44Å; E90-A94 WeakPolarHBondContact O-CB 3.27Å; E90-A94 PolarHBondContact O-N 2.76Å; T91-A94 CarbonylContact O-C 3.54Å; T91-A94 WeakPolarHBondContact O-CB 3.43Å; T91-A94 PolarHBondContact O-N 2.76Å; T91-A94 VanDerWaalsContact O-N 3.14Å; L92-A94 PolarHBondContact O-N 2.85Å
95	S	60.4	Low	63.9	Low	17 Å²	17	71.5 Å²	71.5	12%	0.119	38%	0.38	C	S	.	.	H	α-helix	trans	-62.6	-43.9	176.9	-47.3	0	0	0	0	112.6	S3 F21 T91 L92	S3-S95 VanDerWaalsContact OG-CA 3.23Å; S3-S95 WeakPolarHBondContact OG-CA 3.41Å; S3-S95 PolarHBondContact OG-N 3.04Å; F21-S95 WeakPolarHBondContact CD1-OG 3.14Å; F21-S95 WeakPolarHBondContact CE1-OG 3.13Å; F21-S95 VanDerWaalsContact CZ-OG 3.26Å; F21-S95 WeakPolarHBondContact CZ-OG 3.11Å; T91-S95 PolarHBondContact O-N 2.7Å; T91-S95 PolarHBondContact O-OG 3.21Å; L92-S95 WeakPolarHBondContact CA-OG 3.28Å; L92-S95 WeakPolarHBondContact O-CA 3.48Å; L92-S95 VanDerWaalsContact O-CB 3.3Å; L92-S95 WeakPolarHBondContact O-CB 3.09Å; L92-S95 PolarHBondContact O-N 3.49Å
96	F	63.6	Low	63.2	Low	89 Å²	89	74.9 Å²	74.9	39%	0.39	41%	0.409	S	S	.	.			trans	-126.2	81.6	-175.2	-49.9	-86	0	0	0	108.5	L92 N93 D98 Y99 F101	L92-F96 HydrophobicContact CD2-CD2 4.42Å; L92-F96 HydrophobicContact CD2-CE2 4.01Å; L92-F96 PolarHBondContact O-N 2.87Å; N93-F96 CarbonylContact O-C 3.55Å; F96-D98 PolarHBondContact O-N 3.05Å; F96-D98 VanDerWaalsContact O-N 3.1Å; F96-Y99 CarbonylContact O-C 3.52Å; F96-Y99 PolarHBondContact O-N 3.07Å; F96-F101 HydrophobicContact CB-CE2 3.89Å; F96-F101 HydrophobicContact CB-CZ 4.07Å; F96-F101 AromaticContact CD2-CE2 3.77Å; F96-F101 HydrophobicContact CD2-CE2 3.77Å; F96-F101 AromaticContact CD2-CZ 3.4Å; F96-F101 HydrophobicContact CD2-CZ 3.4Å; F96-F101 HydrophobicContact CE2-CZ 4.18Å; F96-F101 HydrophobicContact CG-CE2 4.27Å; F96-F101 HydrophobicContact CG-CZ 4.03Å
97	P	66.5	Low	62.2	Low	86 Å²	86	78 Å²	78	56%	0.558	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.5	-177.9	-23	33.3	0	0	0	113.3	Y99	P97-Y99 PolarHBondContact O-N 3.45Å
98	D	68.3	Low	61.5	Low	168 Å²	168	75.9 Å²	75.9	90%	0.898	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.4	177.8	-53.9	-41.7	0	0	0	112.9	F96	F96-D98 PolarHBondContact O-N 3.05Å; F96-D98 VanDerWaalsContact O-N 3.1Å
99	Y	65.1	Low	60.9	Low	68 Å²	68	77 Å²	77	27%	0.267	43%	0.43	S	S	.	.	S	Bend	trans	-133.4	124.2	-176.9	-169	-77.9	0	0	0	111.3	F96 P97 F101 P109	F96-Y99 CarbonylContact O-C 3.52Å; F96-Y99 PolarHBondContact O-N 3.07Å; P97-Y99 PolarHBondContact O-N 3.45Å; Y99-F101 AromaticContact CD1-CD1 3.77Å; Y99-F101 HydrophobicContact CD1-CD1 3.77Å; Y99-F101 AromaticContact CD1-CD2 3.68Å; Y99-F101 HydrophobicContact CD1-CD2 3.68Å; Y99-F101 AromaticContact CD1-CE1 3.46Å; Y99-F101 HydrophobicContact CD1-CE1 3.46Å; Y99-F101 VanDerWaalsContact CD1-CE1 3.46Å; Y99-F101 AromaticContact CD1-CE2 3.36Å; Y99-F101 HydrophobicContact CD1-CE2 3.36Å; Y99-F101 AromaticContact CD1-CG 3.88Å; Y99-F101 HydrophobicContact CD1-CG 3.88Å; Y99-F101 AromaticContact CD1-CZ 3.24Å; Y99-F101 HydrophobicContact CD1-CZ 3.24Å; Y99-F101 AromaticContact CE1-CD1 3.59Å; Y99-F101 HydrophobicContact CE1-CD1 3.59Å; Y99-F101 HydrophobicContact CE1-CD2 4.28Å; Y99-F101 AromaticContact CE1-CE1 3.49Å; Y99-F101 HydrophobicContact CE1-CE1 3.49Å; Y99-F101 VanDerWaalsContact CE1-CE1 3.49Å; Y99-F101 HydrophobicContact CE1-CE2 4.2Å; Y99-F101 HydrophobicContact CE1-CG 4Å; Y99-F101 AromaticContact CE1-CZ 3.81Å; Y99-F101 HydrophobicContact CE1-CZ 3.81Å; Y99-F101 HydrophobicContact CG-CE1 4.48Å; Y99-F101 HydrophobicContact CG-CE2 4.13Å; Y99-F101 AromaticContact CG-CZ 3.98Å; Y99-F101 HydrophobicContact CG-CZ 3.98Å; Y99-F101 WeakPolarHBondContact O-CD2 3.44Å; Y99-F101 WeakPolarHBondContact O-CE2 3.46Å; Y99-P109 WeakPolarHBondContact OH-CD 3.26Å; Y99-P109 WeakPolarHBondContact OH-CG 3.23Å
100	T	67.1	Low	60.7	Low	102 Å²	102	79 Å²	79	63%	0.626	45%	0.446	S	S	*	.			trans	-95.7	114.5	178.2	55.9	0	0	0	0	111.3	F102	T100-F102 PolarHBondContact O-N 3.18Å
101	F	62.1	Low	60.4	Low	19 Å²	19	76.2 Å²	76.2	8%	0.083	43%	0.434	C	S	.	.			trans	-86.5	15	176.2	-58.5	-92.3	0	0	0	113.1	I89 L92 N93 F96 Y99 I114	I89-F101 HydrophobicContact CG2-CB 4.12Å; I89-F101 WeakPolarHBondContact CG2-O 3.22Å; L92-F101 HydrophobicContact CB-CB 4.26Å; L92-F101 HydrophobicContact CB-CD1 3.66Å; L92-F101 HydrophobicContact CB-CD2 3.41Å; L92-F101 VanDerWaalsContact CB-CD2 3.41Å; L92-F101 HydrophobicContact CB-CE1 3.78Å; L92-F101 HydrophobicContact CB-CE2 3.54Å; L92-F101 HydrophobicContact CB-CG 3.48Å; L92-F101 VanDerWaalsContact CB-CG 3.48Å; L92-F101 HydrophobicContact CB-CZ 3.74Å; L92-F101 HydrophobicContact CD1-CD1 3.72Å; L92-F101 HydrophobicContact CD1-CE1 3.99Å; L92-F101 HydrophobicContact CD1-CG 4.23Å; L92-F101 HydrophobicContact CD2-CE1 4.25Å; L92-F101 HydrophobicContact CD2-CZ 4.34Å; L92-F101 HydrophobicContact CG-CD1 4.24Å; L92-F101 HydrophobicContact CG-CE1 4.23Å; L92-F101 HydrophobicContact CG-CG 4.48Å; L92-F101 HydrophobicContact CG-CZ 4.48Å; L92-F101 WeakPolarHBondContact O-CE2 3.19Å; N93-F101 HydrophobicContact CB-CD2 4.43Å; N93-F101 WeakPolarHBondContact OD1-CB 3.28Å; N93-F101 WeakPolarHBondContact OD1-CD2 3.25Å; N93-F101 PolarHBondContact OD1-N 2.83Å; F96-F101 HydrophobicContact CB-CE2 3.89Å; F96-F101 HydrophobicContact CB-CZ 4.07Å; F96-F101 AromaticContact CD2-CE2 3.77Å; F96-F101 HydrophobicContact CD2-CE2 3.77Å; F96-F101 AromaticContact CD2-CZ 3.4Å; F96-F101 HydrophobicContact CD2-CZ 3.4Å; F96-F101 HydrophobicContact CE2-CZ 4.18Å; F96-F101 HydrophobicContact CG-CE2 4.27Å; F96-F101 HydrophobicContact CG-CZ 4.03Å; Y99-F101 AromaticContact CD1-CD1 3.77Å; Y99-F101 HydrophobicContact CD1-CD1 3.77Å; Y99-F101 AromaticContact CD1-CD2 3.68Å; Y99-F101 HydrophobicContact CD1-CD2 3.68Å; Y99-F101 AromaticContact CD1-CE1 3.46Å; Y99-F101 HydrophobicContact CD1-CE1 3.46Å; Y99-F101 VanDerWaalsContact CD1-CE1 3.46Å; Y99-F101 AromaticContact CD1-CE2 3.36Å; Y99-F101 HydrophobicContact CD1-CE2 3.36Å; Y99-F101 AromaticContact CD1-CG 3.88Å; Y99-F101 HydrophobicContact CD1-CG 3.88Å; Y99-F101 AromaticContact CD1-CZ 3.24Å; Y99-F101 HydrophobicContact CD1-CZ 3.24Å; Y99-F101 AromaticContact CE1-CD1 3.59Å; Y99-F101 HydrophobicContact CE1-CD1 3.59Å; Y99-F101 HydrophobicContact CE1-CD2 4.28Å; Y99-F101 AromaticContact CE1-CE1 3.49Å; Y99-F101 HydrophobicContact CE1-CE1 3.49Å; Y99-F101 VanDerWaalsContact CE1-CE1 3.49Å; Y99-F101 HydrophobicContact CE1-CE2 4.2Å; Y99-F101 HydrophobicContact CE1-CG 4Å; Y99-F101 AromaticContact CE1-CZ 3.81Å; Y99-F101 HydrophobicContact CE1-CZ 3.81Å; Y99-F101 HydrophobicContact CG-CE1 4.48Å; Y99-F101 HydrophobicContact CG-CE2 4.13Å; Y99-F101 AromaticContact CG-CZ 3.98Å; Y99-F101 HydrophobicContact CG-CZ 3.98Å; Y99-F101 WeakPolarHBondContact O-CD2 3.44Å; Y99-F101 WeakPolarHBondContact O-CE2 3.46Å; F101-I114 HydrophobicContact CD1-CD1 3.38Å; F101-I114 HydrophobicContact CD1-CG1 4.44Å; F101-I114 HydrophobicContact CE1-CD1 3.26Å; F101-I114 HydrophobicContact CE1-CG1 3.85Å; F101-I114 HydrophobicContact CE1-CG2 4.28Å
102	F	63.2	Low	60.4	Low	139 Å²	139	81.4 Å²	81.4	61%	0.61	46%	0.456	S	S	*	.			trans	-86.1	124.8	-177.8	-163.5	-92.6	0	0	0	111.6	T100	T100-F102 PolarHBondContact O-N 3.18Å
103	N	53.1	Low	60.5	Low	109 Å²	109	82.2 Å²	82.2	58%	0.583	46%	0.464	S	S	*	.	S	Bend	trans	49.9	122.1	176.2	-98.1	-11.5	0	0	0	116.4	N105	N103-N105 PolarHBondContact O-N 2.85Å; N103-N105 PolarHBondContact O-OD1 3.34Å
104	A	46.2	Very low	60.3	Low	100 Å²	100	80.8 Å²	80.8	83%	0.826	46%	0.457	S	S	*	.			trans	-64	71.8	176	0	0	0	0	0	112.1
105	N	43.2	Very low	60.6	Low	116 Å²	116	81.9 Å²	81.9	62%	0.62	46%	0.455	S	S	*	.			trans	-73.9	136.6	155.2	-47	-2.3	0	0	0	103.7	N103 E107 T108	N103-N105 PolarHBondContact O-N 2.85Å; N103-N105 PolarHBondContact O-OD1 3.34Å; N105-E107 PolarHBondContact O-N 3.03Å; N105-T108 PolarHBondContact O-N 3.37Å; N105-T108 VanDerWaalsContact O-N 3.09Å; N105-T108 PolarHBondContact O-OG1 2.72Å
106	S	51.7	Low	61.1	Low	129 Å²	129	84.8 Å²	84.8	90%	0.902	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-5.4	-165.5	46	0	0	0	0	118.3
107	E	52.3	Low	61.2	Low	180 Å²	180	85.9 Å²	85.9	84%	0.841	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-23.7	-177.8	-61	-177.7	175.3	0	0	113.8	N105 P109	N105-E107 PolarHBondContact O-N 3.03Å; E107-P109 VanDerWaalsContact O-CD 3.3Å; E107-P109 WeakPolarHBondContact O-CD 2.69Å
108	T	50.6	Low	61.4	Low	41 Å²	41	87.9 Å²	87.9	25%	0.252	48%	0.477	S	S	.	.	S	Bend	trans	-84.4	118.2	178.2	47.5	0	0	0	0	110.8	N105 S110	N105-T108 PolarHBondContact O-N 3.37Å; N105-T108 VanDerWaalsContact O-N 3.09Å; N105-T108 PolarHBondContact O-OG1 2.72Å; T108-S110 PolarHBondContact O-N 2.93Å
109	P	55.2	Low	61.7	Low	45 Å²	45	80.8 Å²	80.8	29%	0.292	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-48.2	132.5	169.4	11.6	-29.2	0	0	0	111.2	Y99 E107 A113 I114	Y99-P109 WeakPolarHBondContact OH-CD 3.26Å; Y99-P109 WeakPolarHBondContact OH-CG 3.23Å; E107-P109 VanDerWaalsContact O-CD 3.3Å; E107-P109 WeakPolarHBondContact O-CD 2.69Å; P109-A113 HydrophobicContact CB-CB 3.53Å; P109-I114 HydrophobicContact CB-CG1 4.47Å; P109-I114 HydrophobicContact CG-CG1 4.47Å; P109-I114 WeakPolarHBondContact O-CD1 3.49Å
110	S	66.6	Low	62.5	Low	72 Å²	72	79.8 Å²	79.8	50%	0.503	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-50.7	153.4	171.1	63.4	0	0	0	0	110.4	T108 K112 A113 I114	T108-S110 PolarHBondContact O-N 2.93Å; S110-K112 CarbonylContact O-C 3.59Å; S110-K112 PolarHBondContact O-N 2.88Å; S110-K112 VanDerWaalsContact O-N 3.07Å; S110-A113 CarbonylContact O-C 3.3Å; S110-A113 VanDerWaalsContact O-CA 3.3Å; S110-A113 WeakPolarHBondContact O-CA 3.11Å; S110-A113 VanDerWaalsContact O-CB 3.29Å; S110-A113 WeakPolarHBondContact O-CB 3.36Å; S110-A113 PolarHBondContact O-N 3.01Å; S110-A113 PolarHBondContact OG-N 3.33Å; S110-A113 VanDerWaalsContact OG-N 3.16Å; S110-I114 PolarHBondContact O-N 3.29Å
111	I	65.6	Low	63.1	Low	32 Å²	32	78 Å²	78	16%	0.164	43%	0.425	C	S	.	.	H	α-helix	trans	-49.5	-38.5	172.9	-71	174.1	0	0	0	111.5	L85 L88 I89 L92 A113 I114 F115	L85-I111 HydrophobicContact CD1-CD1 3.2Å; L88-I111 HydrophobicContact CD2-CD1 3.96Å; L88-I111 HydrophobicContact CD2-CG2 3.37Å; L88-I111 HydrophobicContact CG-CD1 4.09Å; L88-I111 HydrophobicContact CG-CG2 4.08Å; I89-I111 HydrophobicContact CG1-CD1 3.9Å; L92-I111 HydrophobicContact CD1-CG1 4.08Å; L92-I111 HydrophobicContact CD1-CG2 4.5Å; I111-A113 PolarHBondContact O-N 3.28Å; I111-I114 PolarHBondContact O-N 2.51Å; I111-F115 HydrophobicContact CG2-CD2 3.79Å; I111-F115 HydrophobicContact CG2-CE2 3.48Å; I111-F115 VanDerWaalsContact CG2-CE2 3.48Å; I111-F115 WeakPolarHBondContact O-CD2 3.45Å; I111-F115 PolarHBondContact O-N 3.29Å
112	K	66.8	Low	63.8	Low	113 Å²	113	80.6 Å²	80.6	49%	0.491	44%	0.442	S	S	.	.	H	α-helix	trans	-57.7	-46.6	172.2	-177.1	173	-178.5	166.8	0	111.8	D78 S110 I114 F115 T116	D78-K112 IonicContact OD1-NZ 2.72Å; D78-K112 PolarHBondContact OD1-NZ 3.04Å; D78-K112 IonicContact OD2-NZ 3.97Å; S110-K112 CarbonylContact O-C 3.59Å; S110-K112 PolarHBondContact O-N 2.88Å; S110-K112 VanDerWaalsContact O-N 3.07Å; K112-I114 VanDerWaalsContact C-N 3.35Å; K112-I114 PolarHBondContact O-N 2.97Å; K112-F115 PolarHBondContact O-N 3.09Å; K112-T116 WeakPolarHBondContact O-CB 3.2Å; K112-T116 PolarHBondContact O-N 3.17Å; K112-T116 PolarHBondContact O-OG1 2.88Å
113	A	67.9	Low	64.7	Low	28 Å²	28	74.2 Å²	74.2	23%	0.231	42%	0.415	C	S	.	.	H	α-helix	trans	-62.9	-38	176	0	0	0	0	0	112.3	P109 S110 I111 T116 M117	P109-A113 HydrophobicContact CB-CB 3.53Å; S110-A113 CarbonylContact O-C 3.3Å; S110-A113 VanDerWaalsContact O-CA 3.3Å; S110-A113 WeakPolarHBondContact O-CA 3.11Å; S110-A113 VanDerWaalsContact O-CB 3.29Å; S110-A113 WeakPolarHBondContact O-CB 3.36Å; S110-A113 PolarHBondContact O-N 3.01Å; S110-A113 PolarHBondContact OG-N 3.33Å; S110-A113 VanDerWaalsContact OG-N 3.16Å; I111-A113 PolarHBondContact O-N 3.28Å; A113-T116 PolarHBondContact O-N 2.79Å; A113-M117 WeakPolarHBondContact O-CB 3.47Å; A113-M117 WeakPolarHBondContact O-CG 3.47Å; A113-M117 PolarHBondContact O-N 3.17Å
114	I	65.3	Low	66.3	Low	8 Å²	8	72.3 Å²	72.3	4%	0.041	40%	0.404	C	S	.	.	H	α-helix	trans	-62.5	-46.5	175	-69.8	139.1	0	0	0	111.4	L92 F101 P109 S110 I111 K112 T116 M117 Y118	L92-I114 HydrophobicContact CD2-CG2 4.25Å; F101-I114 HydrophobicContact CD1-CD1 3.38Å; F101-I114 HydrophobicContact CD1-CG1 4.44Å; F101-I114 HydrophobicContact CE1-CD1 3.26Å; F101-I114 HydrophobicContact CE1-CG1 3.85Å; F101-I114 HydrophobicContact CE1-CG2 4.28Å; P109-I114 HydrophobicContact CB-CG1 4.47Å; P109-I114 HydrophobicContact CG-CG1 4.47Å; P109-I114 WeakPolarHBondContact O-CD1 3.49Å; S110-I114 PolarHBondContact O-N 3.29Å; I111-I114 PolarHBondContact O-N 2.51Å; K112-I114 VanDerWaalsContact C-N 3.35Å; K112-I114 PolarHBondContact O-N 2.97Å; I114-T116 VanDerWaalsContact C-N 3.33Å; I114-T116 PolarHBondContact O-N 3.06Å; I114-M117 PolarHBondContact O-N 2.91Å; I114-Y118 HydrophobicContact CB-CD2 4.4Å; I114-Y118 HydrophobicContact CG2-CD2 4.01Å; I114-Y118 WeakPolarHBondContact O-CB 3.31Å; I114-Y118 WeakPolarHBondContact O-CD2 3.45Å; I114-Y118 PolarHBondContact O-N 2.81Å
115	F	71.1	Confident	68	Low	59 Å²	59	72.6 Å²	72.6	26%	0.259	40%	0.401	S	S	.	.	I	π-helix	trans	-60.7	-44.6	175.4	-74.9	-60.3	0	0	0	111.6	L88 I111 K112 M117 L119 W120	L88-F115 HydrophobicContact CD1-CE2 4.41Å; L88-F115 HydrophobicContact CD1-CZ 3.97Å; L88-F115 HydrophobicContact CD2-CE2 4.05Å; L88-F115 HydrophobicContact CD2-CZ 4.37Å; I111-F115 HydrophobicContact CG2-CD2 3.79Å; I111-F115 HydrophobicContact CG2-CE2 3.48Å; I111-F115 VanDerWaalsContact CG2-CE2 3.48Å; I111-F115 WeakPolarHBondContact O-CD2 3.45Å; I111-F115 PolarHBondContact O-N 3.29Å; K112-F115 PolarHBondContact O-N 3.09Å; F115-M117 PolarHBondContact O-N 2.91Å; F115-L119 HydrophobicContact CD1-CB 3.86Å; F115-L119 HydrophobicContact CD1-CD2 3.38Å; F115-L119 HydrophobicContact CD1-CG 4.24Å; F115-L119 HydrophobicContact CE1-CD2 3.75Å; F115-L119 HydrophobicContact CG-CD2 4.48Å; F115-L119 WeakPolarHBondContact O-CB 3.23Å; F115-L119 PolarHBondContact O-N 3.48Å; F115-L119 VanDerWaalsContact O-N 3.07Å; F115-W120 VanDerWaalsContact C-CD1 3.42Å; F115-W120 PolarHBondContact O-N 2.93Å
116	T	70.9	Confident	69.9	Low	78 Å²	78	68.6 Å²	68.6	48%	0.479	38%	0.384	S	S	.	.	I	π-helix	trans	-65.5	-35.1	177.9	-58.5	0	0	0	0	113.2	K112 A113 I114 P121	K112-T116 WeakPolarHBondContact O-CB 3.2Å; K112-T116 PolarHBondContact O-N 3.17Å; K112-T116 PolarHBondContact O-OG1 2.88Å; A113-T116 PolarHBondContact O-N 2.79Å; I114-T116 VanDerWaalsContact C-N 3.33Å; I114-T116 PolarHBondContact O-N 3.06Å; T116-P121 VanDerWaalsContact O-CD 3.23Å; T116-P121 WeakPolarHBondContact O-CD 3.41Å; T116-P121 WeakPolarHBondContact O-CG 3.47Å
117	M	67.1	Low	71.5	Confident	112 Å²	112	62.5 Å²	62.5	55%	0.552	34%	0.341	S	S	*	.	I	π-helix	trans	-85.9	-34.4	-176.8	-73	-177.7	77.2	0	0	113.3	A113 I114 F115	A113-M117 WeakPolarHBondContact O-CB 3.47Å; A113-M117 WeakPolarHBondContact O-CG 3.47Å; A113-M117 PolarHBondContact O-N 3.17Å; I114-M117 PolarHBondContact O-N 2.91Å; F115-M117 PolarHBondContact O-N 2.91Å
118	Y	70.2	Confident	73.2	Confident	127 Å²	127	56.6 Å²	56.6	50%	0.498	32%	0.317	S	S	.	.	I	π-helix	trans	-117.5	-44.8	-170.3	-60.3	-73.7	0	0	0	113.4	I114 V122	I114-Y118 HydrophobicContact CB-CD2 4.4Å; I114-Y118 HydrophobicContact CG2-CD2 4.01Å; I114-Y118 WeakPolarHBondContact O-CB 3.31Å; I114-Y118 WeakPolarHBondContact O-CD2 3.45Å; I114-Y118 PolarHBondContact O-N 2.81Å; Y118-V122 VanDerWaalsContact O-CG2 3.25Å; Y118-V122 WeakPolarHBondContact O-CG2 3.11Å
119	L	75.1	Confident	75	Confident	20 Å²	20	57.5 Å²	57.5	11%	0.105	32%	0.32	C	S	.	.	I	π-helix	trans	-79.1	-58.6	-175	180	68.7	0	0	0	111.9	L28 F115 V122 V123 F170	L28-L119 HydrophobicContact CD2-CD1 4.18Å; F115-L119 HydrophobicContact CD1-CB 3.86Å; F115-L119 HydrophobicContact CD1-CD2 3.38Å; F115-L119 HydrophobicContact CD1-CG 4.24Å; F115-L119 HydrophobicContact CE1-CD2 3.75Å; F115-L119 HydrophobicContact CG-CD2 4.48Å; F115-L119 WeakPolarHBondContact O-CB 3.23Å; F115-L119 PolarHBondContact O-N 3.48Å; F115-L119 VanDerWaalsContact O-N 3.07Å; L119-V122 WeakPolarHBondContact O-CB 3.37Å; L119-V122 PolarHBondContact O-N 3.28Å; L119-V123 HydrophobicContact CD1-CG2 4.18Å; L119-V123 HydrophobicContact CG-CG2 4.19Å; L119-V123 WeakPolarHBondContact O-CG2 3.41Å; L119-V123 PolarHBondContact O-N 3.14Å; L119-F170 HydrophobicContact CD1-CE2 4.48Å; L119-F170 HydrophobicContact CD2-CE2 4.41Å; L119-F170 HydrophobicContact CD2-CZ 3.88Å
120	W	81.3	Confident	76.6	Confident	47 Å²	47	59.1 Å²	59.1	18%	0.178	34%	0.337	C	S	.	.	H	α-helix	trans	-62.4	-35.3	-172.5	-64.9	118.9	0	0	0	113.5	F74 M76 F115 V122 V123 D124 L129 F170	F74-W120 HydrophobicContact CE2-CH2 4.5Å; F74-W120 HydrophobicContact CZ-CH2 4.16Å; F74-W120 HydrophobicContact CZ-CZ2 4.49Å; M76-W120 HydrophobicContact CE-CD2 4.12Å; M76-W120 HydrophobicContact CE-CG 4.33Å; M76-W120 HydrophobicContact CE-CZ2 3.59Å; F115-W120 VanDerWaalsContact C-CD1 3.42Å; F115-W120 PolarHBondContact O-N 2.93Å; W120-V122 VanDerWaalsContact C-N 3.33Å; W120-V122 PolarHBondContact O-N 3.13Å; W120-V123 HydrophobicContact CE3-CB 4.09Å; W120-V123 HydrophobicContact CE3-CG1 4.06Å; W120-V123 HydrophobicContact CE3-CG2 4.24Å; W120-V123 HydrophobicContact CZ3-CG1 4.2Å; W120-V123 HydrophobicContact CZ3-CG2 4.5Å; W120-V123 PolarHBondContact O-N 3Å; W120-D124 WeakPolarHBondContact O-CB 3.33Å; W120-D124 PolarHBondContact O-N 2.73Å; W120-L129 HydrophobicContact CE3-CD1 4.25Å; W120-F170 HydrophobicContact CH2-CE1 4.28Å
121	P	80	Confident	77.6	Confident	63 Å²	63	59.1 Å²	59.1	41%	0.409	35%	0.349	S	S	.	.	H	α-helix	trans	-63.1	-36.3	172.3	-27.1	38.9	0	0	0	113.2	T116 S125	T116-P121 VanDerWaalsContact O-CD 3.23Å; T116-P121 WeakPolarHBondContact O-CD 3.41Å; T116-P121 WeakPolarHBondContact O-CG 3.47Å; P121-S125 VanDerWaalsContact O-CB 3.22Å; P121-S125 WeakPolarHBondContact O-CB 3.4Å; P121-S125 PolarHBondContact O-N 3.14Å
122	V	76.6	Confident	78.8	Confident	74 Å²	74	58.8 Å²	58.8	45%	0.448	35%	0.349	S	S	.	.	H	α-helix	trans	-68.1	-43.4	174.5	173.4	0	0	0	0	110.6	L17 Y118 L119 W120 S125 A126	L17-V122 HydrophobicContact CD2-CG1 4.09Å; Y118-V122 VanDerWaalsContact O-CG2 3.25Å; Y118-V122 WeakPolarHBondContact O-CG2 3.11Å; L119-V122 WeakPolarHBondContact O-CB 3.37Å; L119-V122 PolarHBondContact O-N 3.28Å; W120-V122 VanDerWaalsContact C-N 3.33Å; W120-V122 PolarHBondContact O-N 3.13Å; V122-S125 PolarHBondContact O-N 2.8Å; V122-A126 WeakPolarHBondContact O-CB 3.45Å; V122-A126 PolarHBondContact O-N 3.02Å
123	V	82.2	Confident	79.8	Confident	6 Å²	6	56.9 Å²	56.9	4%	0.036	35%	0.347	C	S	.	.	H	α-helix	trans	-61.4	-48	175.4	171.8	0	0	0	0	110.8	L119 W120 S125 A126 I127 L129 L168	L119-V123 HydrophobicContact CD1-CG2 4.18Å; L119-V123 HydrophobicContact CG-CG2 4.19Å; L119-V123 WeakPolarHBondContact O-CG2 3.41Å; L119-V123 PolarHBondContact O-N 3.14Å; W120-V123 HydrophobicContact CE3-CB 4.09Å; W120-V123 HydrophobicContact CE3-CG1 4.06Å; W120-V123 HydrophobicContact CE3-CG2 4.24Å; W120-V123 HydrophobicContact CZ3-CG1 4.2Å; W120-V123 HydrophobicContact CZ3-CG2 4.5Å; W120-V123 PolarHBondContact O-N 3Å; V123-S125 PolarHBondContact O-N 3.29Å; V123-A126 WeakPolarHBondContact O-CB 3.25Å; V123-A126 PolarHBondContact O-N 3.27Å; V123-I127 HydrophobicContact CG1-CG2 4.39Å; V123-I127 WeakPolarHBondContact O-CG2 3.3Å; V123-I127 PolarHBondContact O-N 3.1Å; V123-L129 HydrophobicContact CG1-CD1 4.39Å; V123-L129 HydrophobicContact CG1-CD2 3.99Å; V123-L129 HydrophobicContact CG1-CG 4.4Å; V123-L168 HydrophobicContact CG1-CD2 3.68Å
124	D	86.1	Confident	80.8	Confident	68 Å²	68	57.1 Å²	57.1	36%	0.364	35%	0.349	S	S	.	.	H	α-helix	trans	-64.6	-38.7	179.7	-168.4	52.9	0	0	0	111.9	W120 A126 T128 L129	W120-D124 WeakPolarHBondContact O-CB 3.33Å; W120-D124 PolarHBondContact O-N 2.73Å; D124-A126 VanDerWaalsContact C-N 3.27Å; D124-A126 PolarHBondContact O-N 2.89Å; D124-T128 WeakPolarHBondContact O-CA 3.36Å; D124-T128 PolarHBondContact O-N 2.87Å; D124-L129 HydrophobicContact CB-CD1 4.06Å; D124-L129 HydrophobicContact CB-CG 4.18Å; D124-L129 VanDerWaalsContact OD1-CB 3.31Å; D124-L129 WeakPolarHBondContact OD1-CB 3.39Å; D124-L129 PolarHBondContact OD1-N 3.37Å
125	S	83.4	Confident	81.7	Confident	107 Å²	107	60.9 Å²	60.9	75%	0.748	36%	0.363	S	S	*	.	H	α-helix	trans	-61.7	-34.8	171.3	-177.1	0	0	0	0	112.5	P121 V122 V123	P121-S125 VanDerWaalsContact O-CB 3.22Å; P121-S125 WeakPolarHBondContact O-CB 3.4Å; P121-S125 PolarHBondContact O-N 3.14Å; V122-S125 PolarHBondContact O-N 2.8Å; V123-S125 PolarHBondContact O-N 3.29Å
126	A	82	Confident	82.3	Confident	32 Å²	32	60.5 Å²	60.5	26%	0.264	37%	0.368	S	S	.	.	H	α-helix	trans	-78.6	-34.7	-178.4	0	0	0	0	0	114.2	V122 V123 D124 R166	V122-A126 WeakPolarHBondContact O-CB 3.45Å; V122-A126 PolarHBondContact O-N 3.02Å; V123-A126 WeakPolarHBondContact O-CB 3.25Å; V123-A126 PolarHBondContact O-N 3.27Å; D124-A126 VanDerWaalsContact C-N 3.27Å; D124-A126 PolarHBondContact O-N 2.89Å; A126-R166 WeakPolarHBondContact O-CD 3.33Å
127	I	85.4	Confident	82.7	Confident	0 Å²	0	60 Å²	60	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-129.2	-12.3	-171.3	-160.1	56.7	0	0	0	115.5	V123 L129 I159 N161 L164 R166 L168	V123-I127 HydrophobicContact CG1-CG2 4.39Å; V123-I127 WeakPolarHBondContact O-CG2 3.3Å; V123-I127 PolarHBondContact O-N 3.1Å; I127-L129 HydrophobicContact CG2-CD2 3.95Å; I127-L129 HydrophobicContact CG2-CG 4.44Å; I127-I159 HydrophobicContact CG1-CG2 4.23Å; I127-I159 HydrophobicContact CG2-CG2 4.18Å; I127-N161 HydrophobicContact CD1-CB 4.12Å; I127-N161 HydrophobicContact CG1-CB 4.19Å; I127-N161 VanDerWaalsContact O-CB 3.32Å; I127-N161 WeakPolarHBondContact O-CB 2.9Å; I127-N161 PolarHBondContact O-ND2 2.89Å; I127-L164 VanDerWaalsContact O-CD1 3.26Å; I127-L164 WeakPolarHBondContact O-CD1 3.37Å; I127-R166 HydrophobicContact CD1-CB 3.67Å; I127-R166 HydrophobicContact CD1-CG 3.41Å; I127-R166 VanDerWaalsContact CD1-CG 3.41Å; I127-R166 WeakPolarHBondContact CD1-O 3.22Å; I127-L168 HydrophobicContact CB-CB 4.01Å; I127-L168 HydrophobicContact CD1-CB 4.12Å; I127-L168 HydrophobicContact CG1-CB 3.82Å; I127-L168 HydrophobicContact CG2-CB 4.39Å; I127-L168 HydrophobicContact CG2-CD2 4.24Å
128	T	89	Confident	83.3	Confident	57 Å²	57	59.4 Å²	59.4	35%	0.35	36%	0.356	S	S	.	.			trans	51.8	96.2	-166.8	-53.4	0	0	0	0	111.1	D124 A130 S132 N161	D124-T128 WeakPolarHBondContact O-CA 3.36Å; D124-T128 PolarHBondContact O-N 2.87Å; T128-A130 HydrophobicContact CG2-CB 4.18Å; T128-A130 PolarHBondContact O-N 2.82Å; T128-S132 PolarHBondContact O-OG 3.28Å; T128-N161 PolarHBondContact O-ND2 3.42Å
129	L	88	Confident	83.4	Confident	60 Å²	60	54.9 Å²	54.9	31%	0.314	34%	0.343	S	S	.	.	S	Bend	trans	-63.3	-31.2	-179.3	-66.4	173	0	0	0	111.6	W120 V123 D124 I127 G131 S132 I159	W120-L129 HydrophobicContact CE3-CD1 4.25Å; V123-L129 HydrophobicContact CG1-CD1 4.39Å; V123-L129 HydrophobicContact CG1-CD2 3.99Å; V123-L129 HydrophobicContact CG1-CG 4.4Å; D124-L129 HydrophobicContact CB-CD1 4.06Å; D124-L129 HydrophobicContact CB-CG 4.18Å; D124-L129 VanDerWaalsContact OD1-CB 3.31Å; D124-L129 WeakPolarHBondContact OD1-CB 3.39Å; D124-L129 PolarHBondContact OD1-N 3.37Å; I127-L129 HydrophobicContact CG2-CD2 3.95Å; I127-L129 HydrophobicContact CG2-CG 4.44Å; L129-G131 PolarHBondContact O-N 3.32Å; L129-S132 WeakPolarHBondContact O-CB 3.38Å; L129-S132 PolarHBondContact O-N 3.44Å; L129-I159 HydrophobicContact CD2-CD1 4.01Å; L129-I159 HydrophobicContact CD2-CG2 4.3Å
130	A	88.7	Confident	83	Confident	78 Å²	78	58 Å²	58	65%	0.645	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	118.2	173.6	0	0	0	0	0	111.3	T128 S132	T128-A130 HydrophobicContact CG2-CB 4.18Å; T128-A130 PolarHBondContact O-N 2.82Å; A130-S132 VanDerWaalsContact C-N 3.26Å; A130-S132 PolarHBondContact O-N 2.76Å
131	G	87.1	Confident	82.2	Confident	72 Å²	72	59.3 Å²	59.3	74%	0.742	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	5.2	-177.9	0	0	0	0	0	115	L129	L129-G131 PolarHBondContact O-N 3.32Å
132	S	90.8	Very high	81.5	Confident	26 Å²	26	68.3 Å²	68.3	18%	0.182	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	153.3	170.4	-72.1	0	0	0	0	111.9	T128 L129 A130 F160 N161	T128-S132 PolarHBondContact O-OG 3.28Å; L129-S132 WeakPolarHBondContact O-CB 3.38Å; L129-S132 PolarHBondContact O-N 3.44Å; A130-S132 VanDerWaalsContact C-N 3.26Å; A130-S132 PolarHBondContact O-N 2.76Å; S132-F160 CarbonylContact C-O 3.52Å; S132-F160 VanDerWaalsContact CA-O 3.31Å; S132-F160 WeakPolarHBondContact CA-O 3.32Å; S132-N161 WeakPolarHBondContact OG-CB 3.35Å; S132-N161 PolarHBondContact OG-ND2 3.49Å
133	V	88.7	Confident	81.2	Confident	73 Å²	73	68.4 Å²	68.4	44%	0.442	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.5	171	-177.2	0	0	0	0	108.4	Y135 I159 F160	V133-Y135 HydrophobicContact CB-CE2 4.17Å; V133-Y135 HydrophobicContact CG1-CE1 4.12Å; V133-Y135 HydrophobicContact CG1-CE2 3.87Å; V133-I159 CarbonylContact O-C 3.55Å; V133-I159 WeakPolarHBondContact O-CA 3.45Å; V133-F160 PolarHBondContact N-O 3.22Å; V133-F160 PolarHBondContact O-N 3.32Å
134	A	87.9	Confident	81	Confident	32 Å²	32	68.7 Å²	68.7	26%	0.264	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	135.7	175.5	0	0	0	0	0	110.6	I158 I159	A134-I158 CarbonylContact C-O 3.59Å; A134-I158 WeakPolarHBondContact CA-O 3.19Å; A134-I159 HydrophobicContact CB-CG1 4.29Å
135	Y	84.8	Confident	80.5	Confident	87 Å²	87	69 Å²	69	34%	0.341	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.9	172.9	-54.7	-87.8	0	0	0	109.4	L62 V133 H157 I158 F160	L62-Y135 HydrophobicContact CD1-CD1 3.88Å; L62-Y135 HydrophobicContact CD1-CG 3.68Å; V133-Y135 HydrophobicContact CB-CE2 4.17Å; V133-Y135 HydrophobicContact CG1-CE1 4.12Å; V133-Y135 HydrophobicContact CG1-CE2 3.87Å; Y135-H157 CarbonylContact O-C 3.55Å; Y135-H157 VanDerWaalsContact O-CA 3.25Å; Y135-H157 WeakPolarHBondContact O-CA 3.44Å; Y135-I158 WeakPolarHBondContact CD2-O 3.21Å; Y135-I158 PolarHBondContact N-O 2.72Å; Y135-I158 PolarHBondContact O-N 2.78Å; Y135-F160 HydrophobicContact CE2-CB 4.18Å
136	S	83.3	Confident	80.1	Confident	52 Å²	52	65.7 Å²	65.7	36%	0.364	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.2	174.9	-58.1	0	0	0	0	109.7	H157	S136-H157 PolarHBondContact OG-CE1 2.97Å; S136-H157 PolarHBondContact OG-ND1 2.95Å; S136-H157 VanDerWaalsContact OG-ND1 3.14Å
137	Y	79.8	Confident	79.8	Confident	66 Å²	66	66.8 Å²	66.8	26%	0.259	40%	0.398	S	S	.	.			trans	-96.2	115	170.4	178.3	-98.7	0	0	0	109.1	P139 D144 Y146 N156	Y137-P139 HydrophobicContact CE1-CB 4.22Å; Y137-D144 WeakPolarHBondContact CE1-OD2 3.41Å; Y137-D144 VanDerWaalsContact CZ-OD2 3.3Å; Y137-D144 PolarHBondContact OH-OD2 2.78Å; Y137-Y146 HydrophobicContact CD1-CD2 4.2Å; Y137-Y146 HydrophobicContact CD1-CE2 4.41Å; Y137-Y146 AromaticContact CE1-CD2 3.93Å; Y137-Y146 HydrophobicContact CE1-CD2 3.93Å; Y137-Y146 HydrophobicContact CE1-CE2 4.34Å; Y137-N156 HydrophobicContact CD1-CB 4.16Å; Y137-N156 PolarHBondContact N-O 3.21Å
138	L	79.2	Confident	79.4	Confident	101 Å²	101	71 Å²	71	53%	0.529	42%	0.418	S	S	.	.			trans	-104.1	117.6	178.1	-64	176.9	0	0	0	108.8	S63 L140	S63-L138 PolarHBondContact OG-N 2.97Å; S63-L138 PolarHBondContact OG-O 2.95Å; L138-L140 PolarHBondContact O-N 3.21Å
139	P	72	Confident	79.1	Confident	32 Å²	32	74.6 Å²	74.6	21%	0.208	44%	0.443	C	S	.	.			trans	-77.3	114.5	-180	34	-36.8	0	0	0	109.6	Y137 D144 T147	Y137-P139 HydrophobicContact CE1-CB 4.22Å; P139-D144 HydrophobicContact CB-CB 3.84Å; P139-D144 VanDerWaalsContact CB-OD1 3.25Å; P139-D144 WeakPolarHBondContact CB-OD1 3.3Å; P139-D144 WeakPolarHBondContact CB-OD2 3.15Å; P139-T147 HydrophobicContact CB-CG2 3.72Å; P139-T147 HydrophobicContact CG-CG2 3.96Å
140	L	67.4	Low	78.7	Confident	86 Å²	86	73.3 Å²	73.3	45%	0.45	44%	0.444	S	S	.	.			trans	-101.7	-5.4	-170.1	-68.5	179.6	0	0	0	115	P64 L138	P64-L140 HydrophobicContact CB-CD1 3.98Å; P64-L140 HydrophobicContact CG-CD1 4.25Å; P64-L140 WeakPolarHBondContact O-CD1 3.32Å; L138-L140 PolarHBondContact O-N 3.21Å
141	S	64.3	Low	78.2	Confident	73 Å²	73	71.2 Å²	71.2	51%	0.51	42%	0.424	S	S	.	.	S	Bend	trans	-135.1	152.8	-172.2	69.2	0	0	0	0	113.4	G143 D144 T147	S141-G143 PolarHBondContact O-N 3.01Å; S141-D144 WeakPolarHBondContact O-CB 3.19Å; S141-D144 PolarHBondContact O-N 2.78Å; S141-T147 PolarHBondContact O-OG1 3.46Å
142	R	65	Low	77.8	Confident	253 Å²	253	71.8 Å²	71.8	96%	0.955	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	120.6	165.6	-76.3	-173.1	176	-147	0.3	108.2
143	G	70.7	Confident	77.2	Confident	76 Å²	76	74 Å²	74	78%	0.784	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.4	-7.1	-175.4	0	0	0	0	0	113.8	S141	S141-G143 PolarHBondContact O-N 3.01Å
144	D	77.7	Confident	76.8	Confident	12 Å²	12	72.3 Å²	72.3	6%	0.064	41%	0.405	C	S	.	.			trans	-67.7	137.1	165.7	-170	-70.1	0	0	0	110.5	Y137 P139 S141 Y146 T147	Y137-D144 WeakPolarHBondContact CE1-OD2 3.41Å; Y137-D144 VanDerWaalsContact CZ-OD2 3.3Å; Y137-D144 PolarHBondContact OH-OD2 2.78Å; P139-D144 HydrophobicContact CB-CB 3.84Å; P139-D144 VanDerWaalsContact CB-OD1 3.25Å; P139-D144 WeakPolarHBondContact CB-OD1 3.3Å; P139-D144 WeakPolarHBondContact CB-OD2 3.15Å; S141-D144 WeakPolarHBondContact O-CB 3.19Å; S141-D144 PolarHBondContact O-N 2.78Å; D144-Y146 PolarHBondContact O-N 3.12Å; D144-Y146 WeakPolarHBondContact OD1-CB 3.47Å; D144-Y146 WeakPolarHBondContact OD1-CD2 3.45Å; D144-Y146 PolarHBondContact OD1-N 3.48Å; D144-T147 HydrophobicContact CB-CG2 4.13Å; D144-T147 WeakPolarHBondContact CB-OG1 3.25Å; D144-T147 PolarHBondContact N-OG1 2.94Å; D144-T147 PolarHBondContact O-N 3.03Å; D144-T147 PolarHBondContact O-OG1 2.68Å
145	P	74.5	Confident	76.5	Confident	75 Å²	75	74.2 Å²	74.2	49%	0.487	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-21.4	176.9	-26.2	34.8	0	0	0	114.9	E148	P145-E148 WeakPolarHBondContact O-CG 3.3Å
146	Y	75.3	Confident	76.5	Confident	36 Å²	36	70.2 Å²	70.2	14%	0.141	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	1.2	178.9	-59.4	-74.3	0	0	0	113.8	Y137 D144 C151 N156 F169 S171	Y137-Y146 HydrophobicContact CD1-CD2 4.2Å; Y137-Y146 HydrophobicContact CD1-CE2 4.41Å; Y137-Y146 AromaticContact CE1-CD2 3.93Å; Y137-Y146 HydrophobicContact CE1-CD2 3.93Å; Y137-Y146 HydrophobicContact CE1-CE2 4.34Å; D144-Y146 PolarHBondContact O-N 3.12Å; D144-Y146 WeakPolarHBondContact OD1-CB 3.47Å; D144-Y146 WeakPolarHBondContact OD1-CD2 3.45Å; D144-Y146 PolarHBondContact OD1-N 3.48Å; Y146-C151 PolarHBondContact O-SG 2.92Å; Y146-C151 VanDerWaalsContact O-SG 3.33Å; Y146-N156 WeakPolarHBondContact CD1-OD1 3.19Å; Y146-N156 WeakPolarHBondContact CE1-OD1 3.4Å; Y146-F169 HydrophobicContact CE2-CZ 4.42Å; Y146-F169 VanDerWaalsContact OH-CE1 3.27Å; Y146-F169 WeakPolarHBondContact OH-CE1 3.45Å; Y146-F169 VanDerWaalsContact OH-CZ 3.28Å; Y146-F169 WeakPolarHBondContact OH-CZ 3.47Å; Y146-S171 WeakPolarHBondContact CE1-OG 3.3Å; Y146-S171 PolarHBondContact OH-OG 2.99Å
147	T	76	Confident	76.6	Confident	55 Å²	55	70.1 Å²	70.1	34%	0.337	39%	0.386	S	S	.	.	S	Bend	trans	-110.4	15.6	172.3	61.6	0	0	0	0	112.9	P139 S141 D144	P139-T147 HydrophobicContact CB-CG2 3.72Å; P139-T147 HydrophobicContact CG-CG2 3.96Å; S141-T147 PolarHBondContact O-OG1 3.46Å; D144-T147 HydrophobicContact CB-CG2 4.13Å; D144-T147 WeakPolarHBondContact CB-OG1 3.25Å; D144-T147 PolarHBondContact N-OG1 2.94Å; D144-T147 PolarHBondContact O-N 3.03Å; D144-T147 PolarHBondContact O-OG1 2.68Å
148	E	77.1	Confident	76.9	Confident	88 Å²	88	68.7 Å²	68.7	41%	0.411	38%	0.382	S	S	.	.			trans	-56.7	143.1	176.9	-70.4	176.3	171.8	0	0	112.1	P145 G150 C151 R173 M175	P145-E148 WeakPolarHBondContact O-CG 3.3Å; E148-G150 PolarHBondContact O-N 3.42Å; E148-C151 WeakPolarHBondContact O-CB 3.02Å; E148-C151 PolarHBondContact O-N 3.33Å; E148-R173 IonicContact OE2-NH1 3.36Å; E148-R173 PolarHBondContact OE2-NH1 2.9Å; E148-M175 HydrophobicContact CB-CE 4.44Å
149	P	82.1	Confident	77.4	Confident	134 Å²	134	64.2 Å²	64.2	87%	0.87	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	126.2	175.1	-25.4	34.2	0	0	0	111.5
150	G	80.2	Confident	78.2	Confident	33 Å²	33	65.2 Å²	65.2	34%	0.34	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.6	-16.2	-177.3	0	0	0	0	0	114.1	E148 I152 M175 K176	E148-G150 PolarHBondContact O-N 3.42Å; G150-I152 PolarHBondContact O-N 3.25Å; G150-I152 VanDerWaalsContact O-N 3.12Å; G150-M175 CarbonylContact O-C 3.59Å; G150-M175 VanDerWaalsContact O-C 3.3Å; G150-M175 VanDerWaalsContact O-CA 3.27Å; G150-M175 WeakPolarHBondContact O-CA 3.45Å; G150-K176 PolarHBondContact O-N 3.14Å
151	C	78.1	Confident	79.2	Confident	34 Å²	34	61.2 Å²	61.2	23%	0.23	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	113.9	170.7	-172.6	0	0	0	0	109.9	Y146 E148 M175	Y146-C151 PolarHBondContact O-SG 2.92Å; Y146-C151 VanDerWaalsContact O-SG 3.33Å; E148-C151 WeakPolarHBondContact O-CB 3.02Å; E148-C151 PolarHBondContact O-N 3.33Å; C151-M175 VanDerWaalsContact CA-SD 3.54Å; C151-M175 HydrophobicContact CB-CE 4.22Å; C151-M175 HydrophobicContact CB-SD 3.78Å
152	I	79	Confident	80.2	Confident	84 Å²	84	66.9 Å²	66.9	43%	0.431	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-45.8	179	-55.4	176.8	0	0	0	109.4	G150 A174 M175 K176	G150-I152 PolarHBondContact O-N 3.25Å; G150-I152 VanDerWaalsContact O-N 3.12Å; I152-A174 HydrophobicContact CB-CB 4.45Å; I152-A174 PolarHBondContact N-O 2.89Å; I152-M175 WeakPolarHBondContact CD1-O 3.42Å; I152-K176 HydrophobicContact CD1-CB 4.3Å; I152-K176 HydrophobicContact CG1-CB 4.27Å
153	W	79	Confident	81.3	Confident	73 Å²	73	59.8 Å²	59.8	28%	0.277	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	153.1	174.9	57.1	-98.4	0	0	0	109.3	F26 F155 C172 R173 A174	F26-W153 AromaticContact CD2-CH2 3.78Å; F26-W153 HydrophobicContact CD2-CH2 3.78Å; F26-W153 HydrophobicContact CD2-CZ2 4.05Å; F26-W153 AromaticContact CE2-CH2 3.67Å; F26-W153 HydrophobicContact CE2-CH2 3.67Å; F26-W153 HydrophobicContact CE2-CZ2 4.25Å; W153-F155 HydrophobicContact CE3-CD1 4.19Å; W153-F155 HydrophobicContact CH2-CE1 4.37Å; W153-F155 AromaticContact CZ3-CD1 3.74Å; W153-F155 HydrophobicContact CZ3-CD1 3.74Å; W153-F155 AromaticContact CZ3-CE1 3.76Å; W153-F155 HydrophobicContact CZ3-CE1 3.76Å; W153-C172 WeakPolarHBondContact CH2-SG 3.11Å; W153-C172 HydrophobicContact CZ3-CB 4.07Å; W153-C172 VanDerWaalsContact CZ3-SG 3.57Å; W153-R173 WeakPolarHBondContact O-CA 3.4Å; W153-A174 HydrophobicContact CD2-CB 3.86Å; W153-A174 HydrophobicContact CG-CB 4.16Å; W153-A174 HydrophobicContact CH2-CB 4.37Å; W153-A174 HydrophobicContact CZ2-CB 3.59Å; W153-A174 VanDerWaalsContact NE1-CB 3.26Å; W153-A174 PolarHBondContact O-N 2.66Å
154	S	78.9	Confident	82	Confident	36 Å²	36	59.2 Å²	59.2	25%	0.252	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.4	165.8	61.6	0	0	0	0	109.7	C172	S154-C172 CarbonylContact C-O 3.42Å; S154-C172 WeakPolarHBondContact CA-O 3.3Å
155	F	81.9	Confident	82.4	Confident	72 Å²	72	61.7 Å²	61.7	32%	0.316	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.4	161.8	65.3	-102.7	0	0	0	108.1	W153 H157 F170 C172	W153-F155 HydrophobicContact CE3-CD1 4.19Å; W153-F155 HydrophobicContact CH2-CE1 4.37Å; W153-F155 AromaticContact CZ3-CD1 3.74Å; W153-F155 HydrophobicContact CZ3-CD1 3.74Å; W153-F155 AromaticContact CZ3-CE1 3.76Å; W153-F155 HydrophobicContact CZ3-CE1 3.76Å; F155-H157 AromaticContact CD2-CD2 3.66Å; F155-F170 HydrophobicContact CD2-CD1 4.5Å; F155-F170 AromaticContact CE2-CD1 3.7Å; F155-F170 HydrophobicContact CE2-CD1 3.7Å; F155-F170 AromaticContact CE2-CE1 3.47Å; F155-F170 HydrophobicContact CE2-CE1 3.47Å; F155-F170 VanDerWaalsContact CE2-CE1 3.47Å; F155-F170 HydrophobicContact CE2-CZ 4.39Å; F155-F170 AromaticContact CZ-CE1 3.96Å; F155-F170 HydrophobicContact CZ-CE1 3.96Å; F155-C172 HydrophobicContact CD1-CB 3.95Å; F155-C172 HydrophobicContact CD2-CB 4.08Å; F155-C172 HydrophobicContact CE1-CB 3.37Å; F155-C172 HydrophobicContact CE2-CB 3.48Å; F155-C172 VanDerWaalsContact CE2-CB 3.48Å; F155-C172 HydrophobicContact CG-CB 4.28Å; F155-C172 HydrophobicContact CZ-CB 3.12Å; F155-C172 PolarHBondContact N-O 2.69Å; F155-C172 PolarHBondContact O-N 3.29Å
156	N	84.3	Confident	82.8	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.016	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	105.3	-173.5	-60.7	-62	0	0	0	107.3	Y137 Y146 F169 S171	Y137-N156 HydrophobicContact CD1-CB 4.16Å; Y137-N156 PolarHBondContact N-O 3.21Å; Y146-N156 WeakPolarHBondContact CD1-OD1 3.19Å; Y146-N156 WeakPolarHBondContact CE1-OD1 3.4Å; N156-F169 HydrophobicContact CB-CE2 4.08Å; N156-F169 HydrophobicContact CB-CZ 4.22Å; N156-S171 WeakPolarHBondContact OD1-CB 3.29Å; N156-S171 PolarHBondContact OD1-OG 3.23Å
157	H	86.3	Confident	83.4	Confident	51 Å²	51	63.1 Å²	63.1	24%	0.236	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.5	-178.6	-68.4	-56.3	0	0	0	111.3	Y135 S136 F155 F169 F170	Y135-H157 CarbonylContact O-C 3.55Å; Y135-H157 VanDerWaalsContact O-CA 3.25Å; Y135-H157 WeakPolarHBondContact O-CA 3.44Å; S136-H157 PolarHBondContact OG-CE1 2.97Å; S136-H157 PolarHBondContact OG-ND1 2.95Å; S136-H157 VanDerWaalsContact OG-ND1 3.14Å; F155-H157 AromaticContact CD2-CD2 3.66Å; H157-F169 CarbonylContact O-C 3.54Å; H157-F169 WeakPolarHBondContact O-CD2 3.19Å; H157-F170 HydrophobicContact CB-CB 4.44Å; H157-F170 PolarHBondContact N-O 3.15Å; H157-F170 PolarHBondContact O-N 3.45Å
158	I	86.8	Confident	83.9	Confident	36 Å²	36	60.6 Å²	60.6	19%	0.185	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.3	172.4	-60.7	165.6	0	0	0	106.7	L62 A134 Y135 I167 L168 F169	L62-I158 HydrophobicContact CD1-CD1 4.39Å; L62-I158 HydrophobicContact CD2-CD1 4.42Å; A134-I158 CarbonylContact C-O 3.59Å; A134-I158 WeakPolarHBondContact CA-O 3.19Å; Y135-I158 WeakPolarHBondContact CD2-O 3.21Å; Y135-I158 PolarHBondContact N-O 2.72Å; Y135-I158 PolarHBondContact O-N 2.78Å; I158-I167 HydrophobicContact CG2-CG2 3.57Å; I158-L168 CarbonylContact C-O 3.59Å; I158-L168 WeakPolarHBondContact CA-O 3.47Å; I158-F169 HydrophobicContact CG1-CD2 3.6Å; I158-F169 HydrophobicContact CG1-CE2 4.03Å
159	I	89	Confident	84.4	Confident	7 Å²	7	58.5 Å²	58.5	4%	0.036	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.9	178.5	-52.5	-179.7	0	0	0	107.9	I127 L129 V133 A134 I167 L168	I127-I159 HydrophobicContact CG1-CG2 4.23Å; I127-I159 HydrophobicContact CG2-CG2 4.18Å; L129-I159 HydrophobicContact CD2-CD1 4.01Å; L129-I159 HydrophobicContact CD2-CG2 4.3Å; V133-I159 CarbonylContact O-C 3.55Å; V133-I159 WeakPolarHBondContact O-CA 3.45Å; A134-I159 HydrophobicContact CB-CG1 4.29Å; I159-I167 CarbonylContact O-C 3.51Å; I159-I167 WeakPolarHBondContact O-CA 3.33Å; I159-L168 HydrophobicContact CB-CB 4.22Å; I159-L168 HydrophobicContact CD1-CD2 4.13Å; I159-L168 PolarHBondContact N-O 3.37Å; I159-L168 PolarHBondContact O-N 2.96Å
160	F	88.2	Confident	84.5	Confident	52 Å²	52	52.6 Å²	52.6	23%	0.228	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.7	179.6	177.9	-129.3	0	0	0	111.1	S132 V133 Y135 R162 R166 I167	S132-F160 CarbonylContact C-O 3.52Å; S132-F160 VanDerWaalsContact CA-O 3.31Å; S132-F160 WeakPolarHBondContact CA-O 3.32Å; V133-F160 PolarHBondContact N-O 3.22Å; V133-F160 PolarHBondContact O-N 3.32Å; Y135-F160 HydrophobicContact CE2-CB 4.18Å; F160-R162 HydrophobicContact CE1-CB 4.1Å; F160-R162 HydrophobicContact CE1-CG 4.5Å; F160-R162 HydrophobicContact CZ-CB 4.34Å; F160-R166 VanDerWaalsContact CD2-O 3.27Å; F160-R166 WeakPolarHBondContact CD2-O 3.27Å; F160-I167 HydrophobicContact CB-CG1 4.35Å; F160-I167 HydrophobicContact CD2-CD1 4.3Å; F160-I167 HydrophobicContact CD2-CG1 3.46Å; F160-I167 VanDerWaalsContact CD2-CG1 3.46Å; F160-I167 HydrophobicContact CE2-CG1 4.15Å; F160-I167 HydrophobicContact CG-CG1 4.26Å
161	N	87.8	Confident	84.7	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.011	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	109.9	168.7	-165.4	-46	0	0	0	110.1	I127 T128 S132 S163 L164 N165 R166	I127-N161 HydrophobicContact CD1-CB 4.12Å; I127-N161 HydrophobicContact CG1-CB 4.19Å; I127-N161 VanDerWaalsContact O-CB 3.32Å; I127-N161 WeakPolarHBondContact O-CB 2.9Å; I127-N161 PolarHBondContact O-ND2 2.89Å; T128-N161 PolarHBondContact O-ND2 3.42Å; S132-N161 WeakPolarHBondContact OG-CB 3.35Å; S132-N161 PolarHBondContact OG-ND2 3.49Å; N161-S163 VanDerWaalsContact C-N 3.34Å; N161-S163 PolarHBondContact O-N 3.02Å; N161-S163 WeakPolarHBondContact OD1-CB 3.45Å; N161-S163 PolarHBondContact OD1-N 3.4Å; N161-S163 PolarHBondContact OD1-OG 2.97Å; N161-L164 HydrophobicContact CB-CB 4.22Å; N161-L164 HydrophobicContact CB-CD1 4.35Å; N161-L164 HydrophobicContact CB-CG 4.32Å; N161-L164 PolarHBondContact O-N 3.48Å; N161-L164 PolarHBondContact OD1-N 3.49Å; N161-N165 PolarHBondContact O-N 2.76Å; N161-N165 VanDerWaalsContact O-N 3.08Å; N161-R166 PolarHBondContact N-O 3.18Å; N161-R166 PolarHBondContact O-N 3.16Å
162	R	87	Confident	84.9	Confident	193 Å²	193	49.5 Å²	49.5	73%	0.728	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-38	-179.4	-173.6	177.5	-68.2	-150.3	-1.2	112.4	F160 N165	F160-R162 HydrophobicContact CE1-CB 4.1Å; F160-R162 HydrophobicContact CE1-CG 4.5Å; F160-R162 HydrophobicContact CZ-CB 4.34Å; R162-N165 PolarHBondContact O-N 3.3Å
163	S	88	Confident	84.9	Confident	103 Å²	103	47.7 Å²	47.7	72%	0.72	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-36.9	-177.7	71.9	0	0	0	0	112.2	N161 N165	N161-S163 VanDerWaalsContact C-N 3.34Å; N161-S163 PolarHBondContact O-N 3.02Å; N161-S163 WeakPolarHBondContact OD1-CB 3.45Å; N161-S163 PolarHBondContact OD1-N 3.4Å; N161-S163 PolarHBondContact OD1-OG 2.97Å; S163-N165 VanDerWaalsContact C-N 3.33Å
164	L	85.4	Confident	84.8	Confident	64 Å²	64	44.4 Å²	44.4	34%	0.335	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-11	176.8	-59.7	-176	0	0	0	113.2	I127 N161 R166	I127-L164 VanDerWaalsContact O-CD1 3.26Å; I127-L164 WeakPolarHBondContact O-CD1 3.37Å; N161-L164 HydrophobicContact CB-CB 4.22Å; N161-L164 HydrophobicContact CB-CD1 4.35Å; N161-L164 HydrophobicContact CB-CG 4.32Å; N161-L164 PolarHBondContact O-N 3.48Å; N161-L164 PolarHBondContact OD1-N 3.49Å; L164-R166 HydrophobicContact CB-CB 3.75Å; L164-R166 PolarHBondContact O-N 3.07Å
165	N	85.6	Confident	84.7	Confident	64 Å²	64	44.8 Å²	44.8	34%	0.342	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	48	-167.4	-168.5	26.2	0	0	0	111.4	N161 R162 S163	N161-N165 PolarHBondContact O-N 2.76Å; N161-N165 VanDerWaalsContact O-N 3.08Å; R162-N165 PolarHBondContact O-N 3.3Å; S163-N165 VanDerWaalsContact C-N 3.33Å
166	R	83.9	Confident	84.4	Confident	67 Å²	67	52.5 Å²	52.5	25%	0.253	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.7	-168.8	-172.3	-172.4	-84.3	-108.2	8.5	109.6	S32 C33 A126 I127 F160 N161 L164	S32-R166 WeakPolarHBondContact OG-CD 3.48Å; S32-R166 WeakPolarHBondContact OG-CG 3.27Å; S32-R166 PolarHBondContact OG-NH1 3.45Å; C33-R166 CarbonylContact O-C 3.5Å; C33-R166 VanDerWaalsContact O-CA 3.27Å; C33-R166 WeakPolarHBondContact O-CA 3.19Å; C33-R166 WeakPolarHBondContact O-CG 3.43Å; A126-R166 WeakPolarHBondContact O-CD 3.33Å; I127-R166 HydrophobicContact CD1-CB 3.67Å; I127-R166 HydrophobicContact CD1-CG 3.41Å; I127-R166 VanDerWaalsContact CD1-CG 3.41Å; I127-R166 WeakPolarHBondContact CD1-O 3.22Å; F160-R166 VanDerWaalsContact CD2-O 3.27Å; F160-R166 WeakPolarHBondContact CD2-O 3.27Å; N161-R166 PolarHBondContact N-O 3.18Å; N161-R166 PolarHBondContact O-N 3.16Å; L164-R166 HydrophobicContact CB-CB 3.75Å; L164-R166 PolarHBondContact O-N 3.07Å
167	I	87.3	Confident	84.4	Confident	74 Å²	74	55 Å²	55	38%	0.379	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137	173.7	-66.7	171.4	0	0	0	107.9	S32 C33 I158 I159 F160	S32-I167 CarbonylContact C-O 3.54Å; S32-I167 VanDerWaalsContact CA-O 3.25Å; S32-I167 WeakPolarHBondContact CA-O 3.42Å; C33-I167 PolarHBondContact N-O 3.07Å; C33-I167 PolarHBondContact O-N 2.8Å; I158-I167 HydrophobicContact CG2-CG2 3.57Å; I159-I167 CarbonylContact O-C 3.51Å; I159-I167 WeakPolarHBondContact O-CA 3.33Å; F160-I167 HydrophobicContact CB-CG1 4.35Å; F160-I167 HydrophobicContact CD2-CD1 4.3Å; F160-I167 HydrophobicContact CD2-CG1 3.46Å; F160-I167 VanDerWaalsContact CD2-CG1 3.46Å; F160-I167 HydrophobicContact CE2-CG1 4.15Å; F160-I167 HydrophobicContact CG-CG1 4.26Å
168	L	86.6	Confident	84.3	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.3	163.9	-174.4	84.6	0	0	0	109.1	C30 Y31 V123 I127 I158 I159 F170	C30-L168 HydrophobicContact CB-CD1 4.27Å; Y31-L168 CarbonylContact O-C 3.6Å; Y31-L168 WeakPolarHBondContact O-CA 3.44Å; V123-L168 HydrophobicContact CG1-CD2 3.68Å; I127-L168 HydrophobicContact CB-CB 4.01Å; I127-L168 HydrophobicContact CD1-CB 4.12Å; I127-L168 HydrophobicContact CG1-CB 3.82Å; I127-L168 HydrophobicContact CG2-CB 4.39Å; I127-L168 HydrophobicContact CG2-CD2 4.24Å; I158-L168 CarbonylContact C-O 3.59Å; I158-L168 WeakPolarHBondContact CA-O 3.47Å; I159-L168 HydrophobicContact CB-CB 4.22Å; I159-L168 HydrophobicContact CD1-CD2 4.13Å; I159-L168 PolarHBondContact N-O 3.37Å; I159-L168 PolarHBondContact O-N 2.96Å; L168-F170 HydrophobicContact CD2-CB 4.48Å
169	F	87	Confident	84.2	Confident	43 Å²	43	56.2 Å²	56.2	19%	0.189	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.4	166.8	-176.6	-127.5	0	0	0	109	C30 Y31 Y146 N156 H157 I158	C30-F169 CarbonylContact C-O 3.46Å; C30-F169 VanDerWaalsContact CA-O 3.23Å; C30-F169 WeakPolarHBondContact CA-O 3.37Å; Y31-F169 HydrophobicContact CD2-CB 4.16Å; Y31-F169 AromaticContact CD2-CD1 3.69Å; Y31-F169 HydrophobicContact CD2-CD1 3.69Å; Y31-F169 HydrophobicContact CD2-CG 4.4Å; Y31-F169 AromaticContact CE2-CD1 3.96Å; Y31-F169 HydrophobicContact CE2-CD1 3.96Å; Y31-F169 PolarHBondContact N-O 2.83Å; Y31-F169 PolarHBondContact O-N 2.92Å; Y146-F169 HydrophobicContact CE2-CZ 4.42Å; Y146-F169 VanDerWaalsContact OH-CE1 3.27Å; Y146-F169 WeakPolarHBondContact OH-CE1 3.45Å; Y146-F169 VanDerWaalsContact OH-CZ 3.28Å; Y146-F169 WeakPolarHBondContact OH-CZ 3.47Å; N156-F169 HydrophobicContact CB-CE2 4.08Å; N156-F169 HydrophobicContact CB-CZ 4.22Å; H157-F169 CarbonylContact O-C 3.54Å; H157-F169 WeakPolarHBondContact O-CD2 3.19Å; I158-F169 HydrophobicContact CG1-CD2 3.6Å; I158-F169 HydrophobicContact CG1-CE2 4.03Å
170	F	85.3	Confident	83.9	Confident	10 Å²	10	59.1 Å²	59.1	4%	0.044	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	99.2	-177.4	-173.4	-116.2	0	0	0	108.6	L28 C30 L119 W120 F155 H157 L168	L28-F170 HydrophobicContact CD1-CD2 4.14Å; L28-F170 HydrophobicContact CD1-CE1 4.42Å; L28-F170 HydrophobicContact CD1-CE2 3.44Å; L28-F170 VanDerWaalsContact CD1-CE2 3.44Å; L28-F170 HydrophobicContact CD1-CZ 3.59Å; L28-F170 HydrophobicContact CD2-CE2 4.13Å; L28-F170 HydrophobicContact CD2-CZ 4.43Å; L28-F170 HydrophobicContact CG-CE2 4.08Å; C30-F170 WeakPolarHBondContact SG-CD2 3.41Å; C30-F170 VanDerWaalsContact SG-CE2 3.56Å; L119-F170 HydrophobicContact CD1-CE2 4.48Å; L119-F170 HydrophobicContact CD2-CE2 4.41Å; L119-F170 HydrophobicContact CD2-CZ 3.88Å; W120-F170 HydrophobicContact CH2-CE1 4.28Å; F155-F170 HydrophobicContact CD2-CD1 4.5Å; F155-F170 AromaticContact CE2-CD1 3.7Å; F155-F170 HydrophobicContact CE2-CD1 3.7Å; F155-F170 AromaticContact CE2-CE1 3.47Å; F155-F170 HydrophobicContact CE2-CE1 3.47Å; F155-F170 VanDerWaalsContact CE2-CE1 3.47Å; F155-F170 HydrophobicContact CE2-CZ 4.39Å; F155-F170 AromaticContact CZ-CE1 3.96Å; F155-F170 HydrophobicContact CZ-CE1 3.96Å; H157-F170 HydrophobicContact CB-CB 4.44Å; H157-F170 PolarHBondContact N-O 3.15Å; H157-F170 PolarHBondContact O-N 3.45Å; L168-F170 HydrophobicContact CD2-CB 4.48Å
171	S	84.2	Confident	83.6	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.014	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.1	-176.3	178.5	0	0	0	0	110.3	L28 E29 Y146 N156	L28-S171 WeakPolarHBondContact CA-O 3.36Å; E29-S171 PolarHBondContact N-O 3.22Å; E29-S171 PolarHBondContact O-N 2.72Å; Y146-S171 WeakPolarHBondContact CE1-OG 3.3Å; Y146-S171 PolarHBondContact OH-OG 2.99Å; N156-S171 WeakPolarHBondContact OD1-CB 3.29Å; N156-S171 PolarHBondContact OD1-OG 3.23Å
172	C	81.6	Confident	83.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.9	172.8	-169	0	0	0	0	110.3	F26 R27 L28 W153 S154 F155	F26-C172 WeakPolarHBondContact CE2-SG 3.03Å; F26-C172 WeakPolarHBondContact CZ-SG 3.2Å; R27-C172 VanDerWaalsContact O-CA 3.28Å; R27-C172 WeakPolarHBondContact O-CA 3.48Å; L28-C172 HydrophobicContact CD1-CB 3.91Å; W153-C172 WeakPolarHBondContact CH2-SG 3.11Å; W153-C172 HydrophobicContact CZ3-CB 4.07Å; W153-C172 VanDerWaalsContact CZ3-SG 3.57Å; S154-C172 CarbonylContact C-O 3.42Å; S154-C172 WeakPolarHBondContact CA-O 3.3Å; F155-C172 HydrophobicContact CD1-CB 3.95Å; F155-C172 HydrophobicContact CD2-CB 4.08Å; F155-C172 HydrophobicContact CE1-CB 3.37Å; F155-C172 HydrophobicContact CE2-CB 3.48Å; F155-C172 VanDerWaalsContact CE2-CB 3.48Å; F155-C172 HydrophobicContact CG-CB 4.28Å; F155-C172 HydrophobicContact CZ-CB 3.12Å; F155-C172 PolarHBondContact N-O 2.69Å; F155-C172 PolarHBondContact O-N 3.29Å
173	R	78.4	Confident	83.1	Confident	46 Å²	46	54.1 Å²	54.1	17%	0.174	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	150.5	174.9	65.6	-177.4	-177.3	167.1	3.4	111.8	F26 R27 E148 W153	F26-R173 WeakPolarHBondContact CA-O 3.46Å; R27-R173 HydrophobicContact CB-CG 4.36Å; R27-R173 PolarHBondContact N-O 3.09Å; R27-R173 VanDerWaalsContact N-O 3.09Å; R27-R173 PolarHBondContact O-N 3.17Å; E148-R173 IonicContact OE2-NH1 3.36Å; E148-R173 PolarHBondContact OE2-NH1 2.9Å; W153-R173 WeakPolarHBondContact O-CA 3.4Å
174	A	76.6	Confident	82.7	Confident	5 Å²	5	50.4 Å²	50.4	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.4	166.7	0	0	0	0	0	110.2	P25 I152 W153	P25-A174 CarbonylContact O-C 3.56Å; P25-A174 VanDerWaalsContact O-CA 3.3Å; P25-A174 WeakPolarHBondContact O-CA 3.41Å; I152-A174 HydrophobicContact CB-CB 4.45Å; I152-A174 PolarHBondContact N-O 2.89Å; W153-A174 HydrophobicContact CD2-CB 3.86Å; W153-A174 HydrophobicContact CG-CB 4.16Å; W153-A174 HydrophobicContact CH2-CB 4.37Å; W153-A174 HydrophobicContact CZ2-CB 3.59Å; W153-A174 VanDerWaalsContact NE1-CB 3.26Å; W153-A174 PolarHBondContact O-N 2.66Å
175	M	78.3	Confident	82.5	Confident	43 Å²	43	49.3 Å²	49.3	21%	0.212	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	166.5	173.9	-55.6	-58.7	-72.2	0	0	111.4	P25 E148 G150 C151 I152	P25-M175 HydrophobicContact CB-CB 4.48Å; P25-M175 WeakPolarHBondContact CB-O 3.35Å; P25-M175 PolarHBondContact O-N 3.28Å; E148-M175 HydrophobicContact CB-CE 4.44Å; G150-M175 CarbonylContact O-C 3.59Å; G150-M175 VanDerWaalsContact O-C 3.3Å; G150-M175 VanDerWaalsContact O-CA 3.27Å; G150-M175 WeakPolarHBondContact O-CA 3.45Å; C151-M175 VanDerWaalsContact CA-SD 3.54Å; C151-M175 HydrophobicContact CB-CE 4.22Å; C151-M175 HydrophobicContact CB-SD 3.78Å; I152-M175 WeakPolarHBondContact CD1-O 3.42Å
176	K	75.4	Confident	82.2	Confident	234 Å²	234	47.9 Å²	47.9	100%	1.017	21%	0.213	S	C	*	.			trans	-92.6	0	174.5	-176.8	179.6	175	-175	0	111.1	G150 I152	G150-K176 PolarHBondContact O-N 3.14Å; I152-K176 HydrophobicContact CD1-CB 4.3Å; I152-K176 HydrophobicContact CG1-CB 4.27Å

Retrieved 176 of 176 residues in 232.7 ms (Link to these results)

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