A0A087YAT6_POEFO Loading...

Methyltransferase 21C, AARS1 lysine b

AlphaFold DB , UniProt , Accession A0A087YAT6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 219 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	38.3	Very low	37.5	Very low	244 Å²	244	168.2 Å²	168.2	100%	1.202	84%	0.835	S	S	*	*				0	91.8	0	-85.8	174.6	-131.4	0	0	107.7
2	T	32.5	Very low	38.9	Very low	137 Å²	137	160.2 Å²	160.2	84%	0.84	79%	0.788	S	S	*	*			trans	-72.6	128.3	-177.6	28.9	0	0	0	0	110.2
3	R	35.1	Very low	39.9	Very low	248 Å²	248	160.1 Å²	160.1	94%	0.936	79%	0.785	S	S	*	*			trans	-92.6	107.1	166	-75.3	-177.4	178.8	-153.9	-0.1	107.2
4	E	37	Very low	40.9	Very low	169 Å²	169	150.1 Å²	150.1	79%	0.79	74%	0.738	S	S	*	*			trans	-108.9	104.9	162.3	-78.3	-178.3	168.4	0	0	107.6	L6	E4-L6 PolarHBondContact O-N 3.35Å
5	G	35.3	Very low	42	Very low	79 Å²	79	146.2 Å²	146.2	81%	0.814	73%	0.732	S	S	*	*			trans	-73.3	107.9	164.4	0	0	0	0	0	108.1	D7	G5-D7 PolarHBondContact O-N 2.78Å
6	L	36.4	Very low	43.2	Very low	157 Å²	157	138.1 Å²	138.1	82%	0.822	69%	0.692	S	S	*	*			trans	-70.9	97.6	165.5	-91	122.3	0	0	0	108.6	E4 R8	E4-L6 PolarHBondContact O-N 3.35Å; L6-R8 VanDerWaalsContact C-N 3.32Å; L6-R8 PolarHBondContact O-N 2.75Å
7	D	38.8	Very low	43.8	Very low	120 Å²	120	142.2 Å²	142.2	64%	0.642	70%	0.699	S	S	*	*			trans	-57.4	93.7	159.5	-177.3	31.1	0	0	0	108.7	G5 R9	G5-D7 PolarHBondContact O-N 2.78Å; D7-R9 PolarHBondContact O-N 3.1Å; D7-R9 IonicContact OD2-NE 3.46Å; D7-R9 PolarHBondContact OD2-NE 3.25Å
8	R	38.1	Very low	44.5	Very low	222 Å²	222	137.4 Å²	137.4	84%	0.838	67%	0.672	S	S	*	*			trans	-72.1	82.1	170.5	-78.7	-175.7	165	-170.7	-4.1	108.1	L6 N10	L6-R8 VanDerWaalsContact C-N 3.32Å; L6-R8 PolarHBondContact O-N 2.75Å; R8-N10 PolarHBondContact O-N 3.08Å
9	R	41.3	Very low	44.9	Very low	201 Å²	201	133.5 Å²	133.5	76%	0.758	66%	0.658	S	S	*	*			trans	-61	109.4	158.3	-67.8	-176	-133.4	160.7	7.5	106.7	D7 V11	D7-R9 PolarHBondContact O-N 3.1Å; D7-R9 IonicContact OD2-NE 3.46Å; D7-R9 PolarHBondContact OD2-NE 3.25Å; R9-V11 VanDerWaalsContact C-N 3.31Å; R9-V11 PolarHBondContact O-N 3.32Å
10	N	34.8	Very low	45.3	Very low	155 Å²	155	135.5 Å²	135.5	83%	0.829	67%	0.671	S	S	*	*			trans	-59.9	98.9	167.4	-77.6	-21.5	0	0	0	107.2	R8 W12	R8-N10 PolarHBondContact O-N 3.08Å; N10-W12 PolarHBondContact O-N 3.41Å
11	V	44.3	Very low	45.8	Very low	118 Å²	118	132 Å²	132	72%	0.715	67%	0.669	S	S	*	*			trans	-72.2	98.1	171.5	-178.2	0	0	0	0	105.7	R9 E13	R9-V11 VanDerWaalsContact C-N 3.31Å; R9-V11 PolarHBondContact O-N 3.32Å; V11-E13 HydrophobicContact CG1-CG 4.47Å
12	W	54.3	Low	47.1	Very low	72 Å²	72	125.4 Å²	125.4	27%	0.273	63%	0.634	S	S	.	*			trans	-68.1	127.7	170.4	170.2	80.5	0	0	0	108.7	N10 P14 Q54 F55 N58 V203	N10-W12 PolarHBondContact O-N 3.41Å; W12-P14 HydrophobicContact CE3-CG 4.2Å; W12-P14 HydrophobicContact CH2-CB 3.7Å; W12-P14 HydrophobicContact CH2-CG 3.41Å; W12-P14 VanDerWaalsContact CH2-CG 3.41Å; W12-P14 HydrophobicContact CZ2-CB 3.81Å; W12-P14 HydrophobicContact CZ2-CG 3.91Å; W12-P14 HydrophobicContact CZ3-CB 4.36Å; W12-P14 HydrophobicContact CZ3-CG 3.57Å; W12-Q54 HydrophobicContact CH2-CB 4.06Å; W12-Q54 HydrophobicContact CZ2-CB 3.49Å; W12-Q54 VanDerWaalsContact CZ2-CB 3.49Å; W12-F55 HydrophobicContact CH2-CB 4.16Å; W12-F55 HydrophobicContact CZ3-CB 4.31Å; W12-F55 HydrophobicContact CZ3-CD2 4.24Å; W12-N58 PolarHBondContact NE1-ND2 2.86Å; W12-V203 HydrophobicContact CZ3-CG1 4.15Å; W12-V203 HydrophobicContact CZ3-CG2 3.99Å
13	E	52.1	Low	49	Very low	159 Å²	159	123.3 Å²	123.3	74%	0.743	61%	0.614	S	S	*	*			trans	-114.1	125.8	175.4	-72	-174.2	175.3	0	0	109.7	V11	V11-E13 HydrophobicContact CG1-CG 4.47Å
14	P	54.7	Low	51.6	Low	20 Å²	20	113.6 Å²	113.6	13%	0.13	58%	0.584	C	S	.	*			trans	-74.7	131.6	179.9	-8.1	24.7	0	0	0	110.6	W12 L16 V203 V205	W12-P14 HydrophobicContact CE3-CG 4.2Å; W12-P14 HydrophobicContact CH2-CB 3.7Å; W12-P14 HydrophobicContact CH2-CG 3.41Å; W12-P14 VanDerWaalsContact CH2-CG 3.41Å; W12-P14 HydrophobicContact CZ2-CB 3.81Å; W12-P14 HydrophobicContact CZ2-CG 3.91Å; W12-P14 HydrophobicContact CZ3-CB 4.36Å; W12-P14 HydrophobicContact CZ3-CG 3.57Å; P14-L16 HydrophobicContact CB-CG 4.45Å; P14-V203 HydrophobicContact CG-CG1 3.95Å; P14-V205 HydrophobicContact CB-CG2 4.1Å; P14-V205 HydrophobicContact CG-CG2 3.44Å; P14-V205 VanDerWaalsContact CG-CG2 3.44Å
15	S	57.6	Low	54.2	Low	92 Å²	92	106.2 Å²	106.2	64%	0.643	55%	0.55	S	S	*	.			trans	-96.6	112.6	164.7	58.3	0	0	0	0	109.3	Q54	S15-Q54 PolarHBondContact O-NE2 2.86Å
16	L	60.2	Low	57	Low	17 Å²	17	108.4 Å²	108.4	9%	0.089	54%	0.538	C	S	.	.			trans	-101.1	9.5	-176.4	-63.9	172.9	0	0	0	113.7	P14 Y18 I50 A51 V205 E208 M210	P14-L16 HydrophobicContact CB-CG 4.45Å; L16-Y18 PolarHBondContact O-N 2.85Å; L16-I50 HydrophobicContact CD2-CG2 4.48Å; L16-A51 HydrophobicContact CD2-CB 3.72Å; L16-V205 HydrophobicContact CD1-CB 4.48Å; L16-V205 HydrophobicContact CD1-CG1 4.44Å; L16-V205 HydrophobicContact CD1-CG2 4.4Å; L16-E208 HydrophobicContact CB-CG 4.04Å; L16-E208 HydrophobicContact CD1-CB 3.67Å; L16-E208 HydrophobicContact CD1-CG 3.87Å; L16-E208 HydrophobicContact CG-CG 4.46Å; L16-M210 HydrophobicContact CD1-CB 3.77Å; L16-M210 HydrophobicContact CD1-CG 3.94Å
17	Y	53.4	Low	59.9	Low	208 Å²	208	101.4 Å²	101.4	82%	0.816	50%	0.501	S	S	*	.			trans	-67.3	107.8	177.7	-171.5	-95.7	0	0	0	110.5
18	Y	56.3	Low	62.5	Low	56 Å²	56	97.2 Å²	97.2	22%	0.22	48%	0.48	C	S	.	.			trans	-127.7	114.1	179.9	-159.5	-97.7	0	0	0	111.1	L16 L20 K22 F25 I50	L16-Y18 PolarHBondContact O-N 2.85Å; Y18-L20 PolarHBondContact O-N 2.55Å; Y18-K22 HydrophobicContact CE1-CB 3.78Å; Y18-K22 HydrophobicContact CE2-CB 4.25Å; Y18-K22 HydrophobicContact CE2-CD 3.86Å; Y18-K22 HydrophobicContact CE2-CG 4.23Å; Y18-K22 VanDerWaalsContact OH-CB 3.24Å; Y18-K22 WeakPolarHBondContact OH-CB 3.14Å; Y18-K22 VanDerWaalsContact OH-CG 3.32Å; Y18-K22 WeakPolarHBondContact OH-CG 3.01Å; Y18-K22 PolarHBondContact OH-O 2.8Å; Y18-F25 HydrophobicContact CD2-CE1 4.01Å; Y18-F25 HydrophobicContact CE1-CE1 4.22Å; Y18-F25 AromaticContact CE1-CZ 3.98Å; Y18-F25 HydrophobicContact CE1-CZ 3.98Å; Y18-F25 AromaticContact CE2-CD1 3.76Å; Y18-F25 HydrophobicContact CE2-CD1 3.76Å; Y18-F25 AromaticContact CE2-CE1 3.13Å; Y18-F25 HydrophobicContact CE2-CE1 3.13Å; Y18-F25 AromaticContact CE2-CZ 3.67Å; Y18-F25 HydrophobicContact CE2-CZ 3.67Å; Y18-F25 AromaticContact CZ-CE1 3.27Å; Y18-F25 AromaticContact CZ-CZ 3.22Å; Y18-F25 WeakPolarHBondContact OH-CE1 3.46Å; Y18-F25 VanDerWaalsContact OH-CE2 3.22Å; Y18-F25 WeakPolarHBondContact OH-CE2 3.4Å; Y18-F25 WeakPolarHBondContact OH-CZ 3.38Å; Y18-I50 HydrophobicContact CD1-CD1 4.44Å; Y18-I50 HydrophobicContact CD2-CD1 3.72Å; Y18-I50 HydrophobicContact CE2-CD1 4.27Å; Y18-I50 HydrophobicContact CG-CD1 3.8Å
19	P	53.3	Low	65.2	Low	62 Å²	62	89.4 Å²	89.4	40%	0.403	47%	0.468	S	S	.	.			trans	-69.2	131.6	173.1	26.8	-29.8	0	0	0	109.9	G21 K22	P19-G21 PolarHBondContact O-N 3.41Å; P19-K22 HydrophobicContact CG-CB 4.35Å; P19-K22 HydrophobicContact CG-CD 4.31Å; P19-K22 PolarHBondContact O-N 2.84Å
20	L	52.3	Low	67.8	Low	174 Å²	174	82.8 Å²	82.8	91%	0.911	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	138.5	173	-97.2	85.4	0	0	0	110.7	Y18	Y18-L20 PolarHBondContact O-N 2.55Å
21	G	55.8	Low	70.7	Confident	61 Å²	61	80.8 Å²	80.8	63%	0.629	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	7	175.6	0	0	0	0	0	115.4	P19	P19-G21 PolarHBondContact O-N 3.41Å
22	K	65.3	Low	73.2	Confident	107 Å²	107	75.1 Å²	75.1	47%	0.465	40%	0.397	S	S	.	.			trans	-74.8	127.2	164.4	-175	176.8	-176.3	-179.9	0	107.7	Y18 P19 S24	Y18-K22 HydrophobicContact CE1-CB 3.78Å; Y18-K22 HydrophobicContact CE2-CB 4.25Å; Y18-K22 HydrophobicContact CE2-CD 3.86Å; Y18-K22 HydrophobicContact CE2-CG 4.23Å; Y18-K22 VanDerWaalsContact OH-CB 3.24Å; Y18-K22 WeakPolarHBondContact OH-CB 3.14Å; Y18-K22 VanDerWaalsContact OH-CG 3.32Å; Y18-K22 WeakPolarHBondContact OH-CG 3.01Å; Y18-K22 PolarHBondContact OH-O 2.8Å; P19-K22 HydrophobicContact CG-CB 4.35Å; P19-K22 HydrophobicContact CG-CD 4.31Å; P19-K22 PolarHBondContact O-N 2.84Å; K22-S24 VanDerWaalsContact CE-O 3.25Å; K22-S24 WeakPolarHBondContact CE-O 3.42Å
23	E	73.3	Confident	75.1	Confident	93 Å²	93	73.1 Å²	73.1	44%	0.435	39%	0.392	S	S	.	.			trans	-104.3	-7.8	-178.8	-70.2	-169.5	158.7	0	0	112.1	N33 I34	E23-N33 CarbonylContact O-C 3.51Å; E23-N33 VanDerWaalsContact O-CA 3.29Å; E23-N33 WeakPolarHBondContact O-CA 3.32Å; E23-I34 VanDerWaalsContact CB-O 3.31Å; E23-I34 WeakPolarHBondContact CB-O 3.45Å; E23-I34 WeakPolarHBondContact CG-O 3.41Å; E23-I34 PolarHBondContact O-N 3.46Å
24	S	88.1	Confident	77.1	Confident	43 Å²	43	65.6 Å²	65.6	30%	0.301	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.4	-172.2	-50.4	0	0	0	0	111.9	K22 I32 N33	K22-S24 VanDerWaalsContact CE-O 3.25Å; K22-S24 WeakPolarHBondContact CE-O 3.42Å; S24-I32 CarbonylContact C-O 3.51Å; S24-I32 WeakPolarHBondContact CA-O 3.39Å; S24-N33 PolarHBondContact OG-OD1 2.95Å
25	F	92.7	Very high	78.7	Confident	15 Å²	15	69.3 Å²	69.3	7%	0.066	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	156.5	179	-58.1	-98.5	0	0	0	109.6	Y18 F27 E31 I32 I34 I45 I50 L79	Y18-F25 HydrophobicContact CD2-CE1 4.01Å; Y18-F25 HydrophobicContact CE1-CE1 4.22Å; Y18-F25 AromaticContact CE1-CZ 3.98Å; Y18-F25 HydrophobicContact CE1-CZ 3.98Å; Y18-F25 AromaticContact CE2-CD1 3.76Å; Y18-F25 HydrophobicContact CE2-CD1 3.76Å; Y18-F25 AromaticContact CE2-CE1 3.13Å; Y18-F25 HydrophobicContact CE2-CE1 3.13Å; Y18-F25 AromaticContact CE2-CZ 3.67Å; Y18-F25 HydrophobicContact CE2-CZ 3.67Å; Y18-F25 AromaticContact CZ-CE1 3.27Å; Y18-F25 AromaticContact CZ-CZ 3.22Å; Y18-F25 WeakPolarHBondContact OH-CE1 3.46Å; Y18-F25 VanDerWaalsContact OH-CE2 3.22Å; Y18-F25 WeakPolarHBondContact OH-CE2 3.4Å; Y18-F25 WeakPolarHBondContact OH-CZ 3.38Å; F25-F27 HydrophobicContact CB-CD2 3.93Å; F25-F27 HydrophobicContact CB-CE2 3.9Å; F25-F27 HydrophobicContact CD1-CE2 4.05Å; F25-F27 HydrophobicContact CG-CE2 4.33Å; F25-E31 CarbonylContact O-C 3.58Å; F25-E31 WeakPolarHBondContact O-CA 3.3Å; F25-I32 HydrophobicContact CB-CB 4.32Å; F25-I32 PolarHBondContact N-O 3.48Å; F25-I32 PolarHBondContact O-N 2.9Å; F25-I34 HydrophobicContact CD2-CG1 3.89Å; F25-I34 HydrophobicContact CE2-CB 4.11Å; F25-I34 HydrophobicContact CE2-CG1 3.74Å; F25-I45 HydrophobicContact CE1-CG2 4.1Å; F25-I45 HydrophobicContact CE2-CD1 4.36Å; F25-I45 HydrophobicContact CE2-CG1 4.07Å; F25-I45 HydrophobicContact CZ-CB 4.06Å; F25-I45 HydrophobicContact CZ-CD1 4.15Å; F25-I45 HydrophobicContact CZ-CG1 3.72Å; F25-I45 HydrophobicContact CZ-CG2 3.76Å; F25-I50 HydrophobicContact CE1-CD1 3.95Å; F25-I50 HydrophobicContact CE1-CG1 4.02Å; F25-L79 HydrophobicContact CB-CD1 4.34Å; F25-L79 HydrophobicContact CD1-CD2 3.98Å; F25-L79 HydrophobicContact CD2-CD1 4.22Å; F25-L79 HydrophobicContact CE1-CD2 3.86Å; F25-L79 HydrophobicContact CE2-CD2 4.46Å; F25-L79 HydrophobicContact CG-CD1 4.14Å; F25-L79 HydrophobicContact CG-CD2 4.3Å; F25-L79 HydrophobicContact CZ-CD2 4.12Å
26	H	94.4	Very high	80	Confident	125 Å²	125	66.9 Å²	66.9	58%	0.579	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	114.1	172	-166.6	80.5	0	0	0	108.9	H30	H26-H30 WeakPolarHBondContact CA-O 3.44Å
27	F	96.3	Very high	80.7	Confident	9 Å²	9	67.8 Å²	67.8	4%	0.039	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.8	178.2	-73.1	-70.5	0	0	0	109.3	F25 G29 H30 I32 I50 C53 Q54 L79 V83	F25-F27 HydrophobicContact CB-CD2 3.93Å; F25-F27 HydrophobicContact CB-CE2 3.9Å; F25-F27 HydrophobicContact CD1-CE2 4.05Å; F25-F27 HydrophobicContact CG-CE2 4.33Å; F27-G29 PolarHBondContact O-N 2.67Å; F27-G29 VanDerWaalsContact O-N 3.13Å; F27-H30 PolarHBondContact N-O 2.87Å; F27-H30 WeakPolarHBondContact O-CA 3.22Å; F27-H30 PolarHBondContact O-N 2.84Å; F27-H30 VanDerWaalsContact O-O 3.13Å; F27-I32 HydrophobicContact CB-CD1 3.95Å; F27-I32 HydrophobicContact CD2-CD1 4.18Å; F27-I50 HydrophobicContact CZ-CG2 4.3Å; F27-C53 HydrophobicContact CD1-CB 4Å; F27-C53 HydrophobicContact CD2-CB 4.32Å; F27-C53 HydrophobicContact CE1-CB 3.57Å; F27-C53 HydrophobicContact CE2-CB 3.92Å; F27-C53 HydrophobicContact CG-CB 4.35Å; F27-C53 HydrophobicContact CZ-CB 3.52Å; F27-Q54 HydrophobicContact CE1-CB 4.3Å; F27-Q54 HydrophobicContact CE1-CG 3.57Å; F27-Q54 HydrophobicContact CZ-CG 4.04Å; F27-L79 HydrophobicContact CD2-CD1 4.21Å; F27-L79 HydrophobicContact CE2-CD1 4.21Å; F27-L79 HydrophobicContact CE2-CD2 4.24Å; F27-V83 HydrophobicContact CB-CG2 3.68Å; F27-V83 HydrophobicContact CD2-CG2 3.85Å; F27-V83 HydrophobicContact CG-CG2 3.81Å
28	V	94.8	Very high	81.1	Confident	32 Å²	32	66.4 Å²	66.4	19%	0.194	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	38.3	175.9	-66.7	0	0	0	0	112.8	H30 E57 L86 L87	V28-H30 VanDerWaalsContact C-N 3.27Å; V28-H30 PolarHBondContact O-CD2 3.13Å; V28-H30 PolarHBondContact O-N 3.19Å; V28-E57 WeakPolarHBondContact CA-OE1 3.33Å; V28-E57 HydrophobicContact CG1-CB 4.13Å; V28-E57 HydrophobicContact CG1-CG 3.96Å; V28-E57 PolarHBondContact N-OE1 2.87Å; V28-L86 HydrophobicContact CG2-CB 3.57Å; V28-L86 HydrophobicContact CG2-CD1 3.97Å; V28-L86 HydrophobicContact CG2-CG 4.44Å; V28-L87 HydrophobicContact CG1-CD2 3.51Å; V28-L87 HydrophobicContact CG1-CG 3.9Å
29	G	94.6	Very high	81.3	Confident	58 Å²	58	71.2 Å²	71.2	60%	0.598	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	8.3	-178.6	0	0	0	0	0	115.1	F27	F27-G29 PolarHBondContact O-N 2.67Å; F27-G29 VanDerWaalsContact O-N 3.13Å
30	H	95.3	Very high	81.6	Confident	63 Å²	63	70.1 Å²	70.1	29%	0.292	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.7	-177.9	-65	-73.1	0	0	0	112	H26 F27 V28 L86	H26-H30 WeakPolarHBondContact CA-O 3.44Å; F27-H30 PolarHBondContact N-O 2.87Å; F27-H30 WeakPolarHBondContact O-CA 3.22Å; F27-H30 PolarHBondContact O-N 2.84Å; F27-H30 VanDerWaalsContact O-O 3.13Å; V28-H30 VanDerWaalsContact C-N 3.27Å; V28-H30 PolarHBondContact O-CD2 3.13Å; V28-H30 PolarHBondContact O-N 3.19Å; H30-L86 HydrophobicContact CB-CD1 3.96Å
31	E	96	Very high	81.8	Confident	112 Å²	112	70.4 Å²	70.4	52%	0.523	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	124.7	162.4	-170.9	-172.5	-131	0	0	109.8	F25 N33 R114	F25-E31 CarbonylContact O-C 3.58Å; F25-E31 WeakPolarHBondContact O-CA 3.3Å; E31-N33 PolarHBondContact OE2-ND2 3.48Å; E31-R114 PolarHBondContact O-NH1 3.07Å; E31-R114 VanDerWaalsContact O-NH1 3.16Å
32	I	96.6	Very high	82.1	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.5	179.6	-63.3	168.5	0	0	0	107.9	S24 F25 F27 I34 L79 I82 V83 L86 N110	S24-I32 CarbonylContact C-O 3.51Å; S24-I32 WeakPolarHBondContact CA-O 3.39Å; F25-I32 HydrophobicContact CB-CB 4.32Å; F25-I32 PolarHBondContact N-O 3.48Å; F25-I32 PolarHBondContact O-N 2.9Å; F27-I32 HydrophobicContact CB-CD1 3.95Å; F27-I32 HydrophobicContact CD2-CD1 4.18Å; I32-I34 HydrophobicContact CG2-CD1 3.78Å; I32-I34 HydrophobicContact CG2-CG1 4.13Å; I32-L79 HydrophobicContact CD1-CD1 4.27Å; I32-L79 HydrophobicContact CG2-CD1 3.87Å; I32-I82 HydrophobicContact CD1-CG2 3.75Å; I32-I82 HydrophobicContact CG1-CG2 3.95Å; I32-I82 HydrophobicContact CG2-CD1 4.19Å; I32-I82 HydrophobicContact CG2-CG2 4.01Å; I32-V83 HydrophobicContact CD1-CG2 3.7Å; I32-L86 HydrophobicContact CD1-CD1 3.94Å; I32-L86 HydrophobicContact CG1-CD1 4.14Å; I32-N110 WeakPolarHBondContact CA-OD1 3.32Å; I32-N110 HydrophobicContact CG2-CB 4.29Å
33	N	94.1	Very high	82.4	Confident	30 Å²	30	63.5 Å²	63.5	16%	0.16	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.8	179.7	-67.5	-78.3	0	0	0	109.9	E23 S24 E31 N110	E23-N33 CarbonylContact O-C 3.51Å; E23-N33 VanDerWaalsContact O-CA 3.29Å; E23-N33 WeakPolarHBondContact O-CA 3.32Å; S24-N33 PolarHBondContact OG-OD1 2.95Å; E31-N33 PolarHBondContact OE2-ND2 3.48Å; N33-N110 PolarHBondContact N-OD1 2.92Å; N33-N110 PolarHBondContact O-ND2 3.38Å
34	I	93.1	Very high	82.9	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.324	C	S	.	.			trans	-100.8	127.6	-177.9	-60.1	-59.6	0	0	0	109.2	E23 F25 I32 E36 I45 T77 L79 I82 N106	E23-I34 VanDerWaalsContact CB-O 3.31Å; E23-I34 WeakPolarHBondContact CB-O 3.45Å; E23-I34 WeakPolarHBondContact CG-O 3.41Å; E23-I34 PolarHBondContact O-N 3.46Å; F25-I34 HydrophobicContact CD2-CG1 3.89Å; F25-I34 HydrophobicContact CE2-CB 4.11Å; F25-I34 HydrophobicContact CE2-CG1 3.74Å; I32-I34 HydrophobicContact CG2-CD1 3.78Å; I32-I34 HydrophobicContact CG2-CG1 4.13Å; I34-E36 HydrophobicContact CG2-CG 4.18Å; I34-I45 HydrophobicContact CG1-CD1 4.2Å; I34-I45 HydrophobicContact CG2-CD1 4.09Å; I34-I45 HydrophobicContact CG2-CG1 4.05Å; I34-T77 HydrophobicContact CG2-CG2 3.96Å; I34-L79 HydrophobicContact CD1-CB 4.21Å; I34-L79 HydrophobicContact CD1-CD1 4.34Å; I34-L79 HydrophobicContact CG1-CB 4.46Å; I34-L79 HydrophobicContact CG1-CD1 4.34Å; I34-I82 HydrophobicContact CD1-CD1 3.61Å; I34-N106 HydrophobicContact CD1-CB 4.43Å
35	R	90.3	Very high	82.9	Confident	98 Å²	98	60.8 Å²	60.8	37%	0.37	31%	0.314	S	S	.	.			trans	-86.2	115.5	164.5	-174.3	-179.6	67.5	177.5	3.1	108.9	N102 F105 N106	R35-N102 VanDerWaalsContact CZ-OD1 3.31Å; R35-N102 PolarHBondContact NE-OD1 2.91Å; R35-N102 PolarHBondContact NH2-OD1 3.13Å; R35-N102 PolarHBondContact O-ND2 3.42Å; R35-F105 HydrophobicContact CB-CD1 4.21Å; R35-F105 HydrophobicContact CB-CE1 3.95Å; R35-N106 WeakPolarHBondContact CB-OD1 3.36Å; R35-N106 PolarHBondContact N-OD1 3.31Å; R35-N106 PolarHBondContact O-ND2 2.9Å; R35-N106 VanDerWaalsContact O-ND2 3.1Å
36	E	84.9	Confident	82.8	Confident	41 Å²	41	64.7 Å²	64.7	19%	0.192	33%	0.329	C	S	.	.			trans	-88.3	158.7	169.8	-65.3	-168	164.4	0	0	110.8	I34 A43 L44 I45 T77	I34-E36 HydrophobicContact CG2-CG 4.18Å; E36-A43 CarbonylContact C-O 3.51Å; E36-A43 WeakPolarHBondContact CA-O 3.49Å; E36-A43 WeakPolarHBondContact CB-O 3.44Å; E36-L44 HydrophobicContact CB-CD2 4.2Å; E36-L44 WeakPolarHBondContact OE2-CD2 3.4Å; E36-I45 VanDerWaalsContact OE1-CB 3.22Å; E36-I45 WeakPolarHBondContact OE1-CB 3.27Å; E36-I45 WeakPolarHBondContact OE1-CG1 3.17Å; E36-I45 PolarHBondContact OE1-N 2.99Å; E36-T77 HydrophobicContact CG-CG2 4.48Å
37	S	73.3	Confident	82.7	Confident	37 Å²	37	60.4 Å²	60.4	26%	0.259	31%	0.312	S	S	.	.			trans	-133.9	138.7	166.4	176.2	0	0	0	0	108.8	D39 A43	S37-D39 PolarHBondContact OG-N 3.09Å; S37-D39 VanDerWaalsContact OG-N 3.17Å; S37-D39 PolarHBondContact OG-OD2 2.9Å; S37-A43 PolarHBondContact N-O 3.36Å; S37-A43 WeakPolarHBondContact O-CB 3.27Å
38	M	62.7	Low	82.6	Confident	179 Å²	179	60 Å²	60	88%	0.882	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-3.9	174.9	-64.3	-150.1	-66	0	0	112.9	S40	M38-S40 PolarHBondContact O-N 2.97Å
39	D	60.1	Low	82.6	Confident	156 Å²	156	59.1 Å²	59.1	83%	0.834	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-11.4	-172.9	-58.4	-33.8	0	0	0	113.5	S37	S37-D39 PolarHBondContact OG-N 3.09Å; S37-D39 VanDerWaalsContact OG-N 3.17Å; S37-D39 PolarHBondContact OG-OD2 2.9Å
40	S	60.6	Low	82.6	Confident	39 Å²	39	56.8 Å²	56.8	27%	0.273	28%	0.28	S	S	.	.	S	Bend	trans	-152	142.3	179.4	179.9	0	0	0	0	112.2	M38 G42 A43 I99	M38-S40 PolarHBondContact O-N 2.97Å; S40-G42 PolarHBondContact O-N 3.47Å; S40-G42 VanDerWaalsContact O-N 3.15Å; S40-A43 WeakPolarHBondContact O-CB 3.43Å; S40-A43 PolarHBondContact O-N 2.84Å; S40-I99 WeakPolarHBondContact OG-CD1 3.28Å
41	Y	56.7	Low	82.7	Confident	181 Å²	181	53.9 Å²	53.9	71%	0.71	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-58.1	-26.5	179.3	-69.5	-79.7	0	0	0	113.7	A43 W46	Y41-A43 PolarHBondContact O-N 3.48Å; Y41-W46 PolarHBondContact O-NE1 2.76Å
42	G	60.2	Low	82.7	Confident	17 Å²	17	48.5 Å²	48.5	18%	0.175	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-77.2	-0.5	175.2	0	0	0	0	0	114.3	S40 G76 T77	S40-G42 PolarHBondContact O-N 3.47Å; S40-G42 VanDerWaalsContact O-N 3.15Å; G42-G76 CarbonylContact O-C 3.59Å; G42-G76 WeakPolarHBondContact O-CA 3.27Å; G42-T77 PolarHBondContact O-N 3.33Å
43	A	71.6	Confident	82.8	Confident	5 Å²	5	48.5 Å²	48.5	4%	0.041	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-110	11.8	-174.1	0	0	0	0	0	114.4	E36 S37 S40 Y41 T77	E36-A43 CarbonylContact C-O 3.51Å; E36-A43 WeakPolarHBondContact CA-O 3.49Å; E36-A43 WeakPolarHBondContact CB-O 3.44Å; S37-A43 PolarHBondContact N-O 3.36Å; S37-A43 WeakPolarHBondContact O-CB 3.27Å; S40-A43 WeakPolarHBondContact O-CB 3.43Å; S40-A43 PolarHBondContact O-N 2.84Å; Y41-A43 PolarHBondContact O-N 3.48Å; A43-T77 VanDerWaalsContact C-CG2 3.46Å; A43-T77 WeakPolarHBondContact O-CG2 3.49Å
44	L	85.1	Confident	82.9	Confident	60 Å²	60	48.5 Å²	48.5	31%	0.314	24%	0.241	S	C	.	.	S	Bend	trans	-110.4	155	169.9	-59.3	-179.1	0	0	0	111.3	E36 W46	E36-L44 HydrophobicContact CB-CD2 4.2Å; E36-L44 WeakPolarHBondContact OE2-CD2 3.4Å; L44-W46 VanDerWaalsContact O-CD1 3.31Å
45	I	88.3	Confident	83.1	Confident	20 Å²	20	48.8 Å²	48.8	10%	0.103	24%	0.242	C	C	.	.			trans	-80.4	127.7	169.1	-66.4	-78.6	0	0	0	110.2	F25 I34 E36 I50 T77 L79	F25-I45 HydrophobicContact CE1-CG2 4.1Å; F25-I45 HydrophobicContact CE2-CD1 4.36Å; F25-I45 HydrophobicContact CE2-CG1 4.07Å; F25-I45 HydrophobicContact CZ-CB 4.06Å; F25-I45 HydrophobicContact CZ-CD1 4.15Å; F25-I45 HydrophobicContact CZ-CG1 3.72Å; F25-I45 HydrophobicContact CZ-CG2 3.76Å; I34-I45 HydrophobicContact CG1-CD1 4.2Å; I34-I45 HydrophobicContact CG2-CD1 4.09Å; I34-I45 HydrophobicContact CG2-CG1 4.05Å; E36-I45 VanDerWaalsContact OE1-CB 3.22Å; E36-I45 WeakPolarHBondContact OE1-CB 3.27Å; E36-I45 WeakPolarHBondContact OE1-CG1 3.17Å; E36-I45 PolarHBondContact OE1-N 2.99Å; I45-I50 HydrophobicContact CG2-CD1 3.81Å; I45-I50 HydrophobicContact CG2-CG1 3.77Å; I45-T77 HydrophobicContact CD1-CG2 4.43Å; I45-T77 WeakPolarHBondContact CD1-OG1 3.39Å; I45-T77 HydrophobicContact CG1-CG2 4.46Å; I45-L79 HydrophobicContact CD1-CB 3.45Å; I45-L79 VanDerWaalsContact CD1-CB 3.45Å; I45-L79 HydrophobicContact CD1-CD2 3.76Å; I45-L79 HydrophobicContact CD1-CG 4.18Å; I45-L79 HydrophobicContact CG2-CD2 4.24Å
46	W	90.4	Very high	83.4	Confident	96 Å²	96	44.1 Å²	44.1	36%	0.364	22%	0.224	S	C	.	.			trans	-102.8	147.1	177.6	-65.3	94.4	0	0	0	111.8	Y41 L44 G48 A49 D148	Y41-W46 PolarHBondContact O-NE1 2.76Å; L44-W46 VanDerWaalsContact O-CD1 3.31Å; W46-G48 PolarHBondContact O-N 3.29Å; W46-G48 VanDerWaalsContact O-N 3.13Å; W46-A49 WeakPolarHBondContact O-CB 3.4Å; W46-A49 PolarHBondContact O-N 3.25Å; W46-D148 HydrophobicContact CB-CB 3.65Å; W46-D148 VanDerWaalsContact CB-OD2 3.32Å; W46-D148 WeakPolarHBondContact CB-OD2 3.49Å; W46-D148 HydrophobicContact CG-CB 4.2Å
47	P	91.9	Very high	84	Confident	36 Å²	36	44.6 Å²	44.6	23%	0.234	23%	0.227	C	C	.	.	H	α-helix	trans	-55.7	-32.4	-175.5	-27.7	35.6	0	0	0	114.7	A49 I50 A51 D148 M210	P47-A49 VanDerWaalsContact C-N 3.3Å; P47-A49 PolarHBondContact O-N 2.78Å; P47-I50 PolarHBondContact O-N 2.67Å; P47-A51 WeakPolarHBondContact O-CB 3.5Å; P47-A51 PolarHBondContact O-N 2.52Å; P47-D148 WeakPolarHBondContact CD-OD2 3.34Å; P47-M210 HydrophobicContact CB-CE 3.79Å
48	G	94.3	Very high	85.1	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-35.4	178.7	0	0	0	0	0	112.5	W46 A51 L52 D148 A178	W46-G48 PolarHBondContact O-N 3.29Å; W46-G48 VanDerWaalsContact O-N 3.13Å; G48-A51 PolarHBondContact O-N 2.81Å; G48-L52 WeakPolarHBondContact O-CB 3.35Å; G48-L52 PolarHBondContact O-N 2.98Å; G48-D148 WeakPolarHBondContact CA-OD2 3.45Å; G48-D148 PolarHBondContact N-OD2 2.76Å; G48-A178 WeakPolarHBondContact O-CB 3.38Å
49	A	95.4	Very high	86.6	Confident	13 Å²	13	39.9 Å²	39.9	11%	0.107	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-43.5	177	0	0	0	0	0	110.4	W46 P47 L52 C53 A147	W46-A49 WeakPolarHBondContact O-CB 3.4Å; W46-A49 PolarHBondContact O-N 3.25Å; P47-A49 VanDerWaalsContact C-N 3.3Å; P47-A49 PolarHBondContact O-N 2.78Å; A49-L52 PolarHBondContact O-N 3.47Å; A49-C53 WeakPolarHBondContact O-CB 3.4Å; A49-C53 PolarHBondContact O-N 3.16Å; A49-C53 PolarHBondContact O-SG 3.38Å; A49-A147 HydrophobicContact CB-CB 4.06Å
50	I	94.6	Very high	88.2	Confident	10 Å²	10	36.8 Å²	36.8	5%	0.051	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-49.4	175.9	-58.5	173.5	0	0	0	110.2	L16 Y18 F25 F27 I45 P47 L52 C53 Q54 L79	L16-I50 HydrophobicContact CD2-CG2 4.48Å; Y18-I50 HydrophobicContact CD1-CD1 4.44Å; Y18-I50 HydrophobicContact CD2-CD1 3.72Å; Y18-I50 HydrophobicContact CE2-CD1 4.27Å; Y18-I50 HydrophobicContact CG-CD1 3.8Å; F25-I50 HydrophobicContact CE1-CD1 3.95Å; F25-I50 HydrophobicContact CE1-CG1 4.02Å; F27-I50 HydrophobicContact CZ-CG2 4.3Å; I45-I50 HydrophobicContact CG2-CD1 3.81Å; I45-I50 HydrophobicContact CG2-CG1 3.77Å; P47-I50 PolarHBondContact O-N 2.67Å; I50-L52 VanDerWaalsContact C-N 3.3Å; I50-L52 PolarHBondContact O-N 2.82Å; I50-C53 WeakPolarHBondContact O-CB 3.4Å; I50-C53 PolarHBondContact O-N 3.07Å; I50-Q54 HydrophobicContact CG2-CG 4.41Å; I50-Q54 WeakPolarHBondContact O-CG 3.28Å; I50-Q54 PolarHBondContact O-N 2.88Å; I50-L79 HydrophobicContact CG1-CD2 4.19Å
51	A	95.8	Very high	89.6	Confident	1 Å²	1	44 Å²	44	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-56.2	-45.8	179.6	0	0	0	0	0	111.6	L16 P47 G48 Q54 F55 M210 I212	L16-A51 HydrophobicContact CD2-CB 3.72Å; P47-A51 WeakPolarHBondContact O-CB 3.5Å; P47-A51 PolarHBondContact O-N 2.52Å; G48-A51 PolarHBondContact O-N 2.81Å; A51-Q54 PolarHBondContact O-N 2.92Å; A51-F55 WeakPolarHBondContact O-CB 3.21Å; A51-F55 PolarHBondContact O-N 2.84Å; A51-M210 HydrophobicContact CB-CG 3.95Å; A51-M210 HydrophobicContact CB-SD 4.24Å; A51-I212 HydrophobicContact CB-CD1 4.26Å
52	L	97.5	Very high	91.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-72.5	-35.1	-179	-167.5	47.7	0	0	0	112.3	G48 A49 I50 F55 L56 L80 L176 A178 I212	G48-L52 WeakPolarHBondContact O-CB 3.35Å; G48-L52 PolarHBondContact O-N 2.98Å; A49-L52 PolarHBondContact O-N 3.47Å; I50-L52 VanDerWaalsContact C-N 3.3Å; I50-L52 PolarHBondContact O-N 2.82Å; L52-F55 HydrophobicContact CD1-CB 4.49Å; L52-F55 HydrophobicContact CD1-CD1 4.01Å; L52-F55 PolarHBondContact O-N 2.95Å; L52-L56 HydrophobicContact CD1-CG 4.44Å; L52-L56 WeakPolarHBondContact O-CB 3.25Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.26Å; L52-L56 PolarHBondContact O-N 2.95Å; L52-L80 HydrophobicContact CB-CD1 4.17Å; L52-L80 HydrophobicContact CB-CD2 4.36Å; L52-L80 HydrophobicContact CD2-CD1 4.38Å; L52-L80 HydrophobicContact CD2-CD2 3.6Å; L52-L80 HydrophobicContact CG-CD1 3.94Å; L52-L80 HydrophobicContact CG-CD2 4.06Å; L52-L176 HydrophobicContact CD1-CB 4.28Å; L52-L176 HydrophobicContact CD2-CB 4.46Å; L52-A178 HydrophobicContact CB-CB 3.84Å; L52-A178 HydrophobicContact CD2-CB 4.05Å; L52-A178 HydrophobicContact CG-CB 4.4Å; L52-I212 HydrophobicContact CD1-CD1 4.48Å; L52-I212 HydrophobicContact CD1-CG2 3.9Å
53	C	97.8	Very high	92.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-50	171.2	-71.1	0	0	0	0	111.7	F27 A49 I50 F55 L56 E57 L80 V83	F27-C53 HydrophobicContact CD1-CB 4Å; F27-C53 HydrophobicContact CD2-CB 4.32Å; F27-C53 HydrophobicContact CE1-CB 3.57Å; F27-C53 HydrophobicContact CE2-CB 3.92Å; F27-C53 HydrophobicContact CG-CB 4.35Å; F27-C53 HydrophobicContact CZ-CB 3.52Å; A49-C53 WeakPolarHBondContact O-CB 3.4Å; A49-C53 PolarHBondContact O-N 3.16Å; A49-C53 PolarHBondContact O-SG 3.38Å; I50-C53 WeakPolarHBondContact O-CB 3.4Å; I50-C53 PolarHBondContact O-N 3.07Å; C53-F55 VanDerWaalsContact C-N 3.3Å; C53-F55 PolarHBondContact O-N 3.21Å; C53-L56 PolarHBondContact O-N 2.98Å; C53-E57 WeakPolarHBondContact O-CB 3.18Å; C53-E57 PolarHBondContact O-N 2.89Å; C53-L80 VanDerWaalsContact SG-CA 3.58Å; C53-V83 HydrophobicContact CB-CB 4.4Å; C53-V83 HydrophobicContact CB-CG1 4.29Å; C53-V83 HydrophobicContact CB-CG2 4.05Å
54	Q	96.1	Very high	94	Very high	30 Å²	30	45.5 Å²	45.5	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-41	177.8	-64.3	171.9	-25.6	0	0	110.7	W12 S15 F27 I50 A51 E57 N58	W12-Q54 HydrophobicContact CH2-CB 4.06Å; W12-Q54 HydrophobicContact CZ2-CB 3.49Å; W12-Q54 VanDerWaalsContact CZ2-CB 3.49Å; S15-Q54 PolarHBondContact O-NE2 2.86Å; F27-Q54 HydrophobicContact CE1-CB 4.3Å; F27-Q54 HydrophobicContact CE1-CG 3.57Å; F27-Q54 HydrophobicContact CZ-CG 4.04Å; I50-Q54 HydrophobicContact CG2-CG 4.41Å; I50-Q54 WeakPolarHBondContact O-CG 3.28Å; I50-Q54 PolarHBondContact O-N 2.88Å; A51-Q54 PolarHBondContact O-N 2.92Å; Q54-E57 PolarHBondContact O-N 2.82Å; Q54-N58 WeakPolarHBondContact O-CB 3.35Å; Q54-N58 PolarHBondContact O-N 3.06Å; Q54-N58 PolarHBondContact O-ND2 2.93Å
55	F	97.1	Very high	94.6	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-48.8	176.6	174.5	-98.2	0	0	0	111.6	W12 A51 L52 C53 N58 N59 M63 L202 V203 I212	W12-F55 HydrophobicContact CH2-CB 4.16Å; W12-F55 HydrophobicContact CZ3-CB 4.31Å; W12-F55 HydrophobicContact CZ3-CD2 4.24Å; A51-F55 WeakPolarHBondContact O-CB 3.21Å; A51-F55 PolarHBondContact O-N 2.84Å; L52-F55 HydrophobicContact CD1-CB 4.49Å; L52-F55 HydrophobicContact CD1-CD1 4.01Å; L52-F55 PolarHBondContact O-N 2.95Å; C53-F55 VanDerWaalsContact C-N 3.3Å; C53-F55 PolarHBondContact O-N 3.21Å; F55-N58 PolarHBondContact O-N 3.19Å; F55-N59 WeakPolarHBondContact CD2-ND2 3.41Å; F55-N59 HydrophobicContact CE2-CB 4.21Å; F55-N59 HydrophobicContact CZ-CB 4.19Å; F55-N59 VanDerWaalsContact O-CB 3.27Å; F55-N59 WeakPolarHBondContact O-CB 3.42Å; F55-N59 PolarHBondContact O-N 3.24Å; F55-N59 PolarHBondContact O-ND2 3.08Å; F55-M63 HydrophobicContact CE1-CE 4.37Å; F55-M63 HydrophobicContact CE1-CG 3.92Å; F55-M63 HydrophobicContact CZ-CE 4.33Å; F55-M63 HydrophobicContact CZ-CG 4.24Å; F55-L202 HydrophobicContact CE1-CD1 3.9Å; F55-L202 HydrophobicContact CE2-CB 4.29Å; F55-L202 HydrophobicContact CE2-CD1 4.36Å; F55-L202 HydrophobicContact CZ-CB 4.32Å; F55-L202 HydrophobicContact CZ-CD1 3.61Å; F55-L202 HydrophobicContact CZ-CG 4.45Å; F55-V203 HydrophobicContact CD2-CG2 3.64Å; F55-V203 HydrophobicContact CE2-CG2 3.95Å; F55-I212 HydrophobicContact CB-CD1 3.67Å; F55-I212 HydrophobicContact CD2-CD1 4.45Å; F55-I212 HydrophobicContact CG-CD1 4.06Å
56	L	97.9	Very high	95.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-43.3	179.7	-71.6	172.5	0	0	0	112.3	L52 C53 N58 N59 Q60 M63 L65 L80 L87 L145 L176	L52-L56 HydrophobicContact CD1-CG 4.44Å; L52-L56 WeakPolarHBondContact O-CB 3.25Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.26Å; L52-L56 PolarHBondContact O-N 2.95Å; C53-L56 PolarHBondContact O-N 2.98Å; L56-N58 VanDerWaalsContact C-N 3.34Å; L56-N58 PolarHBondContact O-N 3.1Å; L56-N59 PolarHBondContact O-N 3.23Å; L56-Q60 WeakPolarHBondContact O-CG 3.45Å; L56-Q60 PolarHBondContact O-N 2.9Å; L56-M63 HydrophobicContact CD2-CB 4.28Å; L56-L65 HydrophobicContact CD1-CD1 4.03Å; L56-L65 HydrophobicContact CD2-CD1 4.07Å; L56-L65 HydrophobicContact CD2-CG 4.44Å; L56-L80 HydrophobicContact CD1-CD1 3.67Å; L56-L87 HydrophobicContact CB-CD1 3.88Å; L56-L145 HydrophobicContact CD1-CD1 4.28Å; L56-L176 HydrophobicContact CD2-CD1 3.84Å
57	E	96.4	Very high	95.5	Very high	51 Å²	51	44.8 Å²	44.8	24%	0.238	23%	0.225	C	C	.	.	H	α-helix	trans	-58.5	-44.4	176.7	176.4	-179	-127.2	0	0	112	V28 C53 Q54 Q60	V28-E57 WeakPolarHBondContact CA-OE1 3.33Å; V28-E57 HydrophobicContact CG1-CB 4.13Å; V28-E57 HydrophobicContact CG1-CG 3.96Å; V28-E57 PolarHBondContact N-OE1 2.87Å; C53-E57 WeakPolarHBondContact O-CB 3.18Å; C53-E57 PolarHBondContact O-N 2.89Å; Q54-E57 PolarHBondContact O-N 2.82Å; E57-Q60 WeakPolarHBondContact O-CG 3.48Å; E57-Q60 PolarHBondContact O-NE2 3.36Å
58	N	95.9	Very high	95.8	Very high	86 Å²	86	46.6 Å²	46.6	46%	0.46	23%	0.229	S	C	.	.	H	α-helix	trans	-85.1	-13.3	-174.1	-70.7	-69.5	0	0	0	113.9	W12 Q54 F55 L56	W12-N58 PolarHBondContact NE1-ND2 2.86Å; Q54-N58 WeakPolarHBondContact O-CB 3.35Å; Q54-N58 PolarHBondContact O-N 3.06Å; Q54-N58 PolarHBondContact O-ND2 2.93Å; F55-N58 PolarHBondContact O-N 3.19Å; L56-N58 VanDerWaalsContact C-N 3.34Å; L56-N58 PolarHBondContact O-N 3.1Å
59	N	95.8	Very high	96	Very high	30 Å²	30	47.8 Å²	47.8	16%	0.16	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	27.1	-173.2	-63.8	-86.4	0	0	0	113.9	F55 L56 Q61 Q62 M63	F55-N59 WeakPolarHBondContact CD2-ND2 3.41Å; F55-N59 HydrophobicContact CE2-CB 4.21Å; F55-N59 HydrophobicContact CZ-CB 4.19Å; F55-N59 VanDerWaalsContact O-CB 3.27Å; F55-N59 WeakPolarHBondContact O-CB 3.42Å; F55-N59 PolarHBondContact O-N 3.24Å; F55-N59 PolarHBondContact O-ND2 3.08Å; L56-N59 PolarHBondContact O-N 3.23Å; N59-Q61 PolarHBondContact O-N 2.9Å; N59-Q62 PolarHBondContact O-N 3.22Å; N59-M63 PolarHBondContact O-N 3.41Å
60	Q	92.8	Very high	96.1	Very high	91 Å²	91	47.2 Å²	47.2	43%	0.425	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-28.6	-177	-65.4	176.6	48.8	0	0	114.7	L56 E57 M63 N64 L87	L56-Q60 WeakPolarHBondContact O-CG 3.45Å; L56-Q60 PolarHBondContact O-N 2.9Å; E57-Q60 WeakPolarHBondContact O-CG 3.48Å; E57-Q60 PolarHBondContact O-NE2 3.36Å; Q60-M63 CarbonylContact O-C 3.08Å; Q60-N64 WeakPolarHBondContact O-CA 3.49Å; Q60-N64 PolarHBondContact O-N 3.41Å; Q60-L87 VanDerWaalsContact CD-CD2 3.49Å; Q60-L87 HydrophobicContact CG-CD2 3.86Å
61	Q	90.8	Very high	96.3	Very high	191 Å²	191	46.7 Å²	46.7	89%	0.893	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-35.1	176.1	-65	-61.8	-38	0	0	112.6	N59	N59-Q61 PolarHBondContact O-N 2.9Å
62	Q	90.4	Very high	96.5	Very high	140 Å²	140	46.9 Å²	46.9	65%	0.654	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-32.3	179.6	-60	179.5	21.6	0	0	111.6	N59	N59-Q62 PolarHBondContact O-N 3.22Å
63	M	93.3	Very high	96.6	Very high	9 Å²	9	46.9 Å²	46.9	4%	0.044	23%	0.232	C	C	.	.	S	Bend	trans	-125.8	74.8	-176.6	-61.5	-63	-173.8	0	0	109.8	F55 L56 N59 Q60 L65 Y143 L176 L202 K214	F55-M63 HydrophobicContact CE1-CE 4.37Å; F55-M63 HydrophobicContact CE1-CG 3.92Å; F55-M63 HydrophobicContact CZ-CE 4.33Å; F55-M63 HydrophobicContact CZ-CG 4.24Å; L56-M63 HydrophobicContact CD2-CB 4.28Å; N59-M63 PolarHBondContact O-N 3.41Å; Q60-M63 CarbonylContact O-C 3.08Å; M63-L65 PolarHBondContact O-N 3.12Å; M63-Y143 HydrophobicContact SD-CE1 4.13Å; M63-L176 HydrophobicContact CE-CD2 3.87Å; M63-L176 HydrophobicContact SD-CD1 4.42Å; M63-L176 HydrophobicContact SD-CD2 4.38Å; M63-L202 HydrophobicContact CE-CD1 3.88Å; M63-L202 HydrophobicContact CE-CD2 4.44Å; M63-K214 HydrophobicContact CE-CD 4.02Å
64	N	95.8	Very high	96.5	Very high	85 Å²	85	47.6 Å²	47.6	46%	0.455	24%	0.239	S	C	.	.			trans	-81.3	113.1	-179.3	-177.7	17.1	0	0	0	110.8	Q60 M66 K68	Q60-N64 WeakPolarHBondContact O-CA 3.49Å; Q60-N64 PolarHBondContact O-N 3.41Å; N64-M66 WeakPolarHBondContact OD1-CB 3.43Å; N64-M66 PolarHBondContact OD1-N 3Å; N64-K68 WeakPolarHBondContact O-CG 3.5Å
65	L	98.4	Very high	96.6	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	24%	0.235	C	C	.	.			trans	-93.2	-5.4	176.7	-58.3	-170.1	0	0	0	113.9	L56 M63 D67 K68 V70 A84 L87 A89 Y143	L56-L65 HydrophobicContact CD1-CD1 4.03Å; L56-L65 HydrophobicContact CD2-CD1 4.07Å; L56-L65 HydrophobicContact CD2-CG 4.44Å; M63-L65 PolarHBondContact O-N 3.12Å; L65-D67 PolarHBondContact O-N 3.37Å; L65-K68 WeakPolarHBondContact O-CB 3.47Å; L65-K68 PolarHBondContact O-N 2.77Å; L65-V70 HydrophobicContact CD2-CG2 4.26Å; L65-A84 HydrophobicContact CD1-CB 3.95Å; L65-L87 HydrophobicContact CB-CB 4.29Å; L65-L87 HydrophobicContact CD1-CD1 4.07Å; L65-A89 HydrophobicContact CB-CB 4.19Å; L65-A89 WeakPolarHBondContact O-CA 3.34Å; L65-Y143 HydrophobicContact CD2-CD1 4.28Å; L65-Y143 HydrophobicContact CD2-CD2 3.51Å; L65-Y143 HydrophobicContact CD2-CE1 4.41Å; L65-Y143 HydrophobicContact CD2-CE2 3.68Å; L65-Y143 HydrophobicContact CD2-CG 3.84Å
66	M	98.3	Very high	96.6	Very high	86 Å²	86	46.7 Å²	46.7	42%	0.424	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	123.8	-179.1	-173.8	65.3	62.2	0	0	110.8	N64 K68	N64-M66 WeakPolarHBondContact OD1-CB 3.43Å; N64-M66 PolarHBondContact OD1-N 3Å; M66-K68 PolarHBondContact O-N 2.97Å; M66-K68 VanDerWaalsContact O-N 3.16Å
67	D	98.4	Very high	96.4	Very high	72 Å²	72	47 Å²	47	39%	0.385	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	19.5	-179.4	-57.8	-43.4	0	0	0	114.4	L65 G88 R116 Y117	L65-D67 PolarHBondContact O-N 3.37Å; D67-G88 PolarHBondContact N-O 2.83Å; D67-R116 WeakPolarHBondContact OD1-CD 3.28Å; D67-R116 IonicContact OD1-CZ 3.91Å; D67-R116 IonicContact OD1-NE 2.76Å; D67-R116 PolarHBondContact OD1-NE 3.48Å; D67-R116 IonicContact OD1-NH2 3.29Å; D67-Y117 VanDerWaalsContact OD1-CE2 3.27Å; D67-Y117 WeakPolarHBondContact OD1-CE2 3.29Å; D67-Y117 VanDerWaalsContact OD1-CZ 3.29Å; D67-Y117 PolarHBondContact OD1-OH 3.31Å
68	K	98.6	Very high	96.5	Very high	74 Å²	74	44.5 Å²	44.5	32%	0.322	23%	0.23	S	C	.	.			trans	-94.3	143.9	178	-64.3	-65.3	178.3	-177.9	0	112.6	N64 L65 M66 V70 W90 D142 Y143	N64-K68 WeakPolarHBondContact O-CG 3.5Å; L65-K68 WeakPolarHBondContact O-CB 3.47Å; L65-K68 PolarHBondContact O-N 2.77Å; M66-K68 PolarHBondContact O-N 2.97Å; M66-K68 VanDerWaalsContact O-N 3.16Å; K68-V70 HydrophobicContact CB-CG2 4.49Å; K68-W90 PolarHBondContact O-N 2.69Å; K68-D142 WeakPolarHBondContact CA-OD2 3.45Å; K68-D142 HydrophobicContact CB-CB 4.02Å; K68-D142 HydrophobicContact CD-CB 3.79Å; K68-D142 WeakPolarHBondContact CD-OD2 3.34Å; K68-D142 HydrophobicContact CG-CB 4.37Å; K68-D142 IonicContact NZ-OD1 3.46Å; K68-D142 PolarHBondContact NZ-OD1 2.73Å; K68-Y143 HydrophobicContact CB-CD2 4.2Å; K68-Y143 HydrophobicContact CB-CE2 4.35Å; K68-Y143 HydrophobicContact CG-CD2 4.46Å; K68-Y143 HydrophobicContact CG-CE2 4.11Å
69	A	98.6	Very high	96.5	Very high	25 Å²	25	40.5 Å²	40.5	21%	0.207	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	121	170.8	0	0	0	0	0	109.7	Y141 D142 Y143	A69-Y141 HydrophobicContact CB-CD1 4.1Å; A69-D142 PolarHBondContact N-OD2 3.49Å; A69-D142 PolarHBondContact O-N 2.99Å; A69-Y143 PolarHBondContact O-N 3.49Å; A69-Y143 VanDerWaalsContact O-N 3.08Å
70	V	98.9	Very high	96.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.8	-174.6	178.4	0	0	0	0	109.7	L65 K68 A84 A89 W90 V91 T92 Y143 L145	L65-V70 HydrophobicContact CD2-CG2 4.26Å; K68-V70 HydrophobicContact CB-CG2 4.49Å; V70-A84 HydrophobicContact CG1-CB 4.44Å; V70-A89 HydrophobicContact CB-CB 4.15Å; V70-A89 HydrophobicContact CG2-CB 3.53Å; V70-W90 PolarHBondContact N-O 2.81Å; V70-V91 HydrophobicContact CB-CG2 4.38Å; V70-V91 CarbonylContact O-C 3.6Å; V70-V91 WeakPolarHBondContact O-CA 3.43Å; V70-T92 PolarHBondContact O-N 2.71Å; V70-Y143 WeakPolarHBondContact CA-O 3.38Å; V70-L145 HydrophobicContact CG1-CD1 3.56Å; V70-L145 HydrophobicContact CG1-CG 3.77Å
71	L	98.9	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.9	169	178.8	69.9	0	0	0	109.2	L73 T92 T94 Y141 Y143 V144 L145 F166	L71-L73 HydrophobicContact CD2-CD2 3.79Å; L71-L73 HydrophobicContact CD2-CG 4.48Å; L71-L73 HydrophobicContact CG-CD2 4.17Å; L71-T92 WeakPolarHBondContact CA-O 3.4Å; L71-T92 HydrophobicContact CD1-CG2 4.04Å; L71-T94 HydrophobicContact CD1-CG2 3.53Å; L71-Y141 HydrophobicContact CB-CD1 3.74Å; L71-Y141 HydrophobicContact CB-CD2 3.71Å; L71-Y141 HydrophobicContact CB-CE1 3.89Å; L71-Y141 HydrophobicContact CB-CE2 3.86Å; L71-Y141 HydrophobicContact CB-CG 3.64Å; L71-Y141 HydrophobicContact CD1-CE1 4.45Å; L71-Y141 HydrophobicContact CD1-CE2 4.13Å; L71-Y141 HydrophobicContact CD2-CD2 4.01Å; L71-Y141 HydrophobicContact CD2-CE2 3.86Å; L71-Y141 HydrophobicContact CG-CD2 4.39Å; L71-Y141 HydrophobicContact CG-CE2 4.18Å; L71-Y143 PolarHBondContact N-O 2.73Å; L71-V144 HydrophobicContact CB-CG2 4.38Å; L71-V144 HydrophobicContact CD2-CG2 4.42Å; L71-V144 CarbonylContact O-C 3.6Å; L71-V144 WeakPolarHBondContact O-CA 3.4Å; L71-L145 PolarHBondContact O-N 2.89Å; L71-F166 HydrophobicContact CD2-CB 4.42Å; L71-F166 HydrophobicContact CD2-CD1 3.65Å; L71-F166 HydrophobicContact CD2-CD2 3.51Å; L71-F166 HydrophobicContact CD2-CE1 3.65Å; L71-F166 HydrophobicContact CD2-CE2 3.53Å; L71-F166 HydrophobicContact CD2-CG 3.58Å; L71-F166 HydrophobicContact CD2-CZ 3.59Å
72	E	98.9	Very high	97.3	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.019	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.5	165.5	-172.5	176.6	-172.4	0	0	110.4	A75 L80 S81 T92 T94 L145	E72-A75 HydrophobicContact CB-CB 4.28Å; E72-A75 HydrophobicContact CG-CB 3.9Å; E72-L80 WeakPolarHBondContact OE1-CB 3.4Å; E72-L80 WeakPolarHBondContact OE1-CD2 3.21Å; E72-S81 WeakPolarHBondContact OE2-CA 3.34Å; E72-S81 WeakPolarHBondContact OE2-CB 3.43Å; E72-S81 PolarHBondContact OE2-N 3.31Å; E72-S81 PolarHBondContact OE2-OG 3.06Å; E72-T92 PolarHBondContact N-O 2.85Å; E72-T94 PolarHBondContact O-N 2.91Å; E72-T94 PolarHBondContact O-OG1 3.44Å; E72-L145 WeakPolarHBondContact CA-O 3.48Å; E72-L145 HydrophobicContact CB-CB 4.45Å; E72-L145 HydrophobicContact CG-CB 4.34Å
73	L	98.7	Very high	97.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.6	173.6	-59.7	178.9	0	0	0	109.6	L71 L124 V144 L145 A146 V149 T162 M163 F166	L71-L73 HydrophobicContact CD2-CD2 3.79Å; L71-L73 HydrophobicContact CD2-CG 4.48Å; L71-L73 HydrophobicContact CG-CD2 4.17Å; L73-L124 HydrophobicContact CD2-CD1 4Å; L73-L124 HydrophobicContact CD2-CD2 4.25Å; L73-V144 HydrophobicContact CD1-CG1 3.82Å; L73-V144 HydrophobicContact CG-CG1 4Å; L73-L145 PolarHBondContact N-O 3.34Å; L73-A146 HydrophobicContact CB-CB 4.48Å; L73-V149 VanDerWaalsContact O-CG1 3.3Å; L73-V149 WeakPolarHBondContact O-CG1 3.47Å; L73-T162 HydrophobicContact CD1-CG2 4.03Å; L73-T162 HydrophobicContact CD2-CG2 3.89Å; L73-M163 HydrophobicContact CD1-CG 4.12Å; L73-F166 HydrophobicContact CD2-CD2 4.33Å; L73-F166 HydrophobicContact CD2-CE2 4.17Å
74	G	97.6	Very high	98	Very high	15 Å²	15	18.6 Å²	18.6	16%	0.155	10%	0.104	C	C	.	.	S	Bend	trans	64.1	51.4	-179.9	0	0	0	0	0	111.9	G76 T94 D95	G74-G76 PolarHBondContact O-N 3.38Å; G74-T94 PolarHBondContact N-O 3.15Å; G74-D95 VanDerWaalsContact CA-OD2 3.32Å; G74-D95 WeakPolarHBondContact CA-OD2 3.48Å
75	A	97.8	Very high	98.1	Very high	7 Å²	7	14.5 Å²	14.5	6%	0.058	8%	0.083	C	C	.	.			trans	-65.9	-20.2	-172.5	0	0	0	0	0	114.1	E72 T77 G78 A93 T94 D95 L103	E72-A75 HydrophobicContact CB-CB 4.28Å; E72-A75 HydrophobicContact CG-CB 3.9Å; A75-T77 PolarHBondContact O-N 3.29Å; A75-T77 VanDerWaalsContact O-N 3.12Å; A75-G78 WeakPolarHBondContact O-CA 3.41Å; A75-G78 PolarHBondContact O-N 3.42Å; A75-A93 HydrophobicContact CB-CB 4.11Å; A75-T94 PolarHBondContact N-O 2.91Å; A75-D95 PolarHBondContact N-OD2 2.89Å; A75-L103 HydrophobicContact CB-CD1 3.97Å; A75-L103 HydrophobicContact CB-CD2 3.94Å
76	G	95.8	Very high	98.1	Very high	10 Å²	10	15.4 Å²	15.4	10%	0.103	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	-114.2	-178.6	0	0	0	0	0	112.2	G42 G74 G78 D95 I99	G42-G76 CarbonylContact O-C 3.59Å; G42-G76 WeakPolarHBondContact O-CA 3.27Å; G74-G76 PolarHBondContact O-N 3.38Å; G76-G78 VanDerWaalsContact C-N 3.27Å; G76-G78 PolarHBondContact O-N 3.05Å; G76-D95 WeakPolarHBondContact CA-OD2 3.5Å; G76-D95 PolarHBondContact N-OD2 3.3Å; G76-I99 VanDerWaalsContact O-CG2 3.29Å; G76-I99 WeakPolarHBondContact O-CG2 3.5Å
77	T	95.1	Very high	98.2	Very high	6 Å²	6	12.1 Å²	12.1	4%	0.037	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.4	177	59.8	0	0	0	0	113.9	I34 E36 G42 A43 I45 A75 N106	I34-T77 HydrophobicContact CG2-CG2 3.96Å; E36-T77 HydrophobicContact CG-CG2 4.48Å; G42-T77 PolarHBondContact O-N 3.33Å; A43-T77 VanDerWaalsContact C-CG2 3.46Å; A43-T77 WeakPolarHBondContact O-CG2 3.49Å; I45-T77 HydrophobicContact CD1-CG2 4.43Å; I45-T77 WeakPolarHBondContact CD1-OG1 3.39Å; I45-T77 HydrophobicContact CG1-CG2 4.46Å; A75-T77 PolarHBondContact O-N 3.29Å; A75-T77 VanDerWaalsContact O-N 3.12Å; T77-N106 WeakPolarHBondContact O-CB 3.46Å; T77-N106 PolarHBondContact O-ND2 3.35Å
78	G	97.4	Very high	98.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.055	C	C	.	.			trans	88.4	12.7	176.1	0	0	0	0	0	115.9	A75 G76 L80 S81 I82	A75-G78 WeakPolarHBondContact O-CA 3.41Å; A75-G78 PolarHBondContact O-N 3.42Å; G76-G78 VanDerWaalsContact C-N 3.27Å; G76-G78 PolarHBondContact O-N 3.05Å; G78-L80 VanDerWaalsContact C-N 3.3Å; G78-L80 PolarHBondContact O-N 3.05Å; G78-S81 PolarHBondContact O-N 3.46Å; G78-I82 WeakPolarHBondContact O-CD1 3.45Å; G78-I82 VanDerWaalsContact O-CG1 3.23Å; G78-I82 WeakPolarHBondContact O-CG1 3.37Å; G78-I82 PolarHBondContact O-N 2.72Å
79	L	97.7	Very high	98.2	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-53.4	-47.2	-179.4	173.6	63.7	0	0	0	112.1	F25 F27 I32 I34 I45 I50 I82 V83	F25-L79 HydrophobicContact CB-CD1 4.34Å; F25-L79 HydrophobicContact CD1-CD2 3.98Å; F25-L79 HydrophobicContact CD2-CD1 4.22Å; F25-L79 HydrophobicContact CE1-CD2 3.86Å; F25-L79 HydrophobicContact CE2-CD2 4.46Å; F25-L79 HydrophobicContact CG-CD1 4.14Å; F25-L79 HydrophobicContact CG-CD2 4.3Å; F25-L79 HydrophobicContact CZ-CD2 4.12Å; F27-L79 HydrophobicContact CD2-CD1 4.21Å; F27-L79 HydrophobicContact CE2-CD1 4.21Å; F27-L79 HydrophobicContact CE2-CD2 4.24Å; I32-L79 HydrophobicContact CD1-CD1 4.27Å; I32-L79 HydrophobicContact CG2-CD1 3.87Å; I34-L79 HydrophobicContact CD1-CB 4.21Å; I34-L79 HydrophobicContact CD1-CD1 4.34Å; I34-L79 HydrophobicContact CG1-CB 4.46Å; I34-L79 HydrophobicContact CG1-CD1 4.34Å; I45-L79 HydrophobicContact CD1-CB 3.45Å; I45-L79 VanDerWaalsContact CD1-CB 3.45Å; I45-L79 HydrophobicContact CD1-CD2 3.76Å; I45-L79 HydrophobicContact CD1-CG 4.18Å; I45-L79 HydrophobicContact CG2-CD2 4.24Å; I50-L79 HydrophobicContact CG1-CD2 4.19Å; L79-I82 WeakPolarHBondContact O-CB 3.37Å; L79-I82 PolarHBondContact O-N 3.44Å; L79-V83 HydrophobicContact CD1-CG2 4.43Å; L79-V83 WeakPolarHBondContact O-CG2 3.44Å; L79-V83 PolarHBondContact O-N 3.49Å
80	L	98.5	Very high	98.2	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-67.9	-43.6	-178.6	175.8	63.3	0	0	0	111.9	L52 C53 L56 E72 G78 I82 V83 A84 L145 A147	L52-L80 HydrophobicContact CB-CD1 4.17Å; L52-L80 HydrophobicContact CB-CD2 4.36Å; L52-L80 HydrophobicContact CD2-CD1 4.38Å; L52-L80 HydrophobicContact CD2-CD2 3.6Å; L52-L80 HydrophobicContact CG-CD1 3.94Å; L52-L80 HydrophobicContact CG-CD2 4.06Å; C53-L80 VanDerWaalsContact SG-CA 3.58Å; L56-L80 HydrophobicContact CD1-CD1 3.67Å; E72-L80 WeakPolarHBondContact OE1-CB 3.4Å; E72-L80 WeakPolarHBondContact OE1-CD2 3.21Å; G78-L80 VanDerWaalsContact C-N 3.3Å; G78-L80 PolarHBondContact O-N 3.05Å; L80-I82 VanDerWaalsContact C-N 3.29Å; L80-I82 PolarHBondContact O-N 3.36Å; L80-V83 PolarHBondContact O-N 3.15Å; L80-A84 WeakPolarHBondContact O-CB 3.28Å; L80-A84 PolarHBondContact O-N 3.29Å; L80-L145 HydrophobicContact CD1-CD1 4.25Å; L80-L145 HydrophobicContact CD2-CB 3.92Å; L80-L145 HydrophobicContact CD2-CD1 4.26Å; L80-L145 HydrophobicContact CG-CD1 4.04Å; L80-A147 HydrophobicContact CD2-CB 4.02Å
81	S	98.8	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-56.6	-39.3	170	-81.8	0	0	0	0	113.4	E72 G78 S85 V91 A93	E72-S81 WeakPolarHBondContact OE2-CA 3.34Å; E72-S81 WeakPolarHBondContact OE2-CB 3.43Å; E72-S81 PolarHBondContact OE2-N 3.31Å; E72-S81 PolarHBondContact OE2-OG 3.06Å; G78-S81 PolarHBondContact O-N 3.46Å; S81-S85 VanDerWaalsContact O-CB 3.28Å; S81-S85 WeakPolarHBondContact O-CB 3.46Å; S81-S85 PolarHBondContact O-N 2.82Å; S81-V91 WeakPolarHBondContact OG-CG1 3.15Å; S81-A93 WeakPolarHBondContact OG-CB 3.31Å
82	I	98.8	Very high	98.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.3	-49.6	176	-69.9	159.5	0	0	0	109.8	I32 I34 G78 L79 L80 A84 S85 L86 N106 L107 N110 T111	I32-I82 HydrophobicContact CD1-CG2 3.75Å; I32-I82 HydrophobicContact CG1-CG2 3.95Å; I32-I82 HydrophobicContact CG2-CD1 4.19Å; I32-I82 HydrophobicContact CG2-CG2 4.01Å; I34-I82 HydrophobicContact CD1-CD1 3.61Å; G78-I82 WeakPolarHBondContact O-CD1 3.45Å; G78-I82 VanDerWaalsContact O-CG1 3.23Å; G78-I82 WeakPolarHBondContact O-CG1 3.37Å; G78-I82 PolarHBondContact O-N 2.72Å; L79-I82 WeakPolarHBondContact O-CB 3.37Å; L79-I82 PolarHBondContact O-N 3.44Å; L80-I82 VanDerWaalsContact C-N 3.29Å; L80-I82 PolarHBondContact O-N 3.36Å; I82-A84 PolarHBondContact O-N 3.5Å; I82-S85 WeakPolarHBondContact O-CB 3.37Å; I82-S85 PolarHBondContact O-N 3.07Å; I82-L86 HydrophobicContact CG2-CD1 3.91Å; I82-L86 HydrophobicContact CG2-CG 4.39Å; I82-L86 VanDerWaalsContact O-CG 3.31Å; I82-L86 WeakPolarHBondContact O-CG 3.41Å; I82-L86 PolarHBondContact O-N 2.91Å; I82-N106 HydrophobicContact CD1-CB 4.29Å; I82-L107 HydrophobicContact CG1-CD2 3.71Å; I82-L107 HydrophobicContact CG1-CG 4.29Å; I82-N110 HydrophobicContact CD1-CB 3.92Å; I82-N110 HydrophobicContact CG1-CB 4.15Å; I82-N110 HydrophobicContact CG2-CB 3.62Å; I82-T111 HydrophobicContact CB-CG2 4.49Å; I82-T111 HydrophobicContact CG1-CG2 4.34Å; I82-T111 HydrophobicContact CG2-CG2 4.21Å
83	V	98.6	Very high	98.1	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.8	-44.8	179.2	172.9	0	0	0	0	111	F27 I32 C53 L79 L80 S85 L86 L87	F27-V83 HydrophobicContact CB-CG2 3.68Å; F27-V83 HydrophobicContact CD2-CG2 3.85Å; F27-V83 HydrophobicContact CG-CG2 3.81Å; I32-V83 HydrophobicContact CD1-CG2 3.7Å; C53-V83 HydrophobicContact CB-CB 4.4Å; C53-V83 HydrophobicContact CB-CG1 4.29Å; C53-V83 HydrophobicContact CB-CG2 4.05Å; L79-V83 HydrophobicContact CD1-CG2 4.43Å; L79-V83 WeakPolarHBondContact O-CG2 3.44Å; L79-V83 PolarHBondContact O-N 3.49Å; L80-V83 PolarHBondContact O-N 3.15Å; V83-S85 VanDerWaalsContact C-N 3.31Å; V83-S85 PolarHBondContact O-N 2.85Å; V83-L86 PolarHBondContact O-N 2.78Å; V83-L87 HydrophobicContact CG1-CD1 4.04Å; V83-L87 WeakPolarHBondContact O-CG 3.45Å; V83-L87 PolarHBondContact O-N 2.99Å
84	A	98.8	Very high	98.1	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.3	-40.8	175	0	0	0	0	0	112.2	L65 V70 L80 I82 L87 G88 A89 V91 L145	L65-A84 HydrophobicContact CD1-CB 3.95Å; V70-A84 HydrophobicContact CG1-CB 4.44Å; L80-A84 WeakPolarHBondContact O-CB 3.28Å; L80-A84 PolarHBondContact O-N 3.29Å; I82-A84 PolarHBondContact O-N 3.5Å; A84-L87 WeakPolarHBondContact O-CB 3.29Å; A84-L87 PolarHBondContact O-N 2.82Å; A84-G88 PolarHBondContact O-N 2.81Å; A84-A89 WeakPolarHBondContact O-CB 3.28Å; A84-A89 PolarHBondContact O-N 3.43Å; A84-A89 VanDerWaalsContact O-N 3.15Å; A84-V91 HydrophobicContact CB-CG2 3.86Å; A84-L145 HydrophobicContact CB-CD1 4.17Å
85	S	98.8	Very high	98.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.6	-40.2	177.4	-174.1	0	0	0	0	112.4	S81 I82 V83 L87 G88 S115 Y117	S81-S85 VanDerWaalsContact O-CB 3.28Å; S81-S85 WeakPolarHBondContact O-CB 3.46Å; S81-S85 PolarHBondContact O-N 2.82Å; I82-S85 WeakPolarHBondContact O-CB 3.37Å; I82-S85 PolarHBondContact O-N 3.07Å; V83-S85 VanDerWaalsContact C-N 3.31Å; V83-S85 PolarHBondContact O-N 2.85Å; S85-L87 VanDerWaalsContact C-N 3.3Å; S85-L87 PolarHBondContact O-N 2.95Å; S85-G88 PolarHBondContact O-N 2.93Å; S85-S115 WeakPolarHBondContact OG-CB 3.35Å; S85-Y117 PolarHBondContact OG-O 2.98Å
86	L	98.6	Very high	98	Very high	23 Å²	23	14.6 Å²	14.6	12%	0.12	7%	0.072	C	C	.	.	H	α-helix	trans	-68.8	-28.2	175.1	-66.9	173	0	0	0	112.4	V28 H30 I32 I82 V83 G88 R114	V28-L86 HydrophobicContact CG2-CB 3.57Å; V28-L86 HydrophobicContact CG2-CD1 3.97Å; V28-L86 HydrophobicContact CG2-CG 4.44Å; H30-L86 HydrophobicContact CB-CD1 3.96Å; I32-L86 HydrophobicContact CD1-CD1 3.94Å; I32-L86 HydrophobicContact CG1-CD1 4.14Å; I82-L86 HydrophobicContact CG2-CD1 3.91Å; I82-L86 HydrophobicContact CG2-CG 4.39Å; I82-L86 VanDerWaalsContact O-CG 3.31Å; I82-L86 WeakPolarHBondContact O-CG 3.41Å; I82-L86 PolarHBondContact O-N 2.91Å; V83-L86 PolarHBondContact O-N 2.78Å; L86-G88 PolarHBondContact O-N 2.8Å; L86-R114 HydrophobicContact CD2-CB 3.76Å
87	L	98.4	Very high	98	Very high	17 Å²	17	18.2 Å²	18.2	9%	0.089	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-0.6	169.2	-72.5	169.1	0	0	0	113.7	V28 L56 Q60 L65 V83 A84 S85	V28-L87 HydrophobicContact CG1-CD2 3.51Å; V28-L87 HydrophobicContact CG1-CG 3.9Å; L56-L87 HydrophobicContact CB-CD1 3.88Å; Q60-L87 VanDerWaalsContact CD-CD2 3.49Å; Q60-L87 HydrophobicContact CG-CD2 3.86Å; L65-L87 HydrophobicContact CB-CB 4.29Å; L65-L87 HydrophobicContact CD1-CD1 4.07Å; V83-L87 HydrophobicContact CG1-CD1 4.04Å; V83-L87 WeakPolarHBondContact O-CG 3.45Å; V83-L87 PolarHBondContact O-N 2.99Å; A84-L87 WeakPolarHBondContact O-CB 3.29Å; A84-L87 PolarHBondContact O-N 2.82Å; S85-L87 VanDerWaalsContact C-N 3.3Å; S85-L87 PolarHBondContact O-N 2.95Å
88	G	98.3	Very high	97.9	Very high	3 Å²	3	23 Å²	23	3%	0.031	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	15	173.5	0	0	0	0	0	115.3	D67 A84 S85 L86 Y117	D67-G88 PolarHBondContact N-O 2.83Å; A84-G88 PolarHBondContact O-N 2.81Å; S85-G88 PolarHBondContact O-N 2.93Å; L86-G88 PolarHBondContact O-N 2.8Å; G88-Y117 WeakPolarHBondContact O-CD2 3.36Å; G88-Y117 WeakPolarHBondContact O-CE2 3.33Å
89	A	98.8	Very high	97.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.			trans	-78.7	154	178.3	0	0	0	0	0	114.1	L65 V70 A84 V91	L65-A89 HydrophobicContact CB-CB 4.19Å; L65-A89 WeakPolarHBondContact O-CA 3.34Å; V70-A89 HydrophobicContact CB-CB 4.15Å; V70-A89 HydrophobicContact CG2-CB 3.53Å; A84-A89 WeakPolarHBondContact O-CB 3.28Å; A84-A89 PolarHBondContact O-N 3.43Å; A84-A89 VanDerWaalsContact O-N 3.15Å; A89-V91 HydrophobicContact CB-CG2 3.76Å; A89-V91 PolarHBondContact O-N 2.83Å
90	W	98.6	Very high	97.6	Very high	133 Å²	133	25 Å²	25	50%	0.504	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	93.2	161.8	-58.8	86.5	0	0	0	108.9	K68 V70 Y117	K68-W90 PolarHBondContact O-N 2.69Å; V70-W90 PolarHBondContact N-O 2.81Å; W90-Y117 AromaticContact CD1-CD2 3.87Å; W90-Y117 AromaticContact CD1-CE2 3.68Å; W90-Y117 AromaticContact CD2-CD1 3.63Å; W90-Y117 HydrophobicContact CD2-CD1 3.63Å; W90-Y117 AromaticContact CD2-CD2 3.77Å; W90-Y117 HydrophobicContact CD2-CD2 3.77Å; W90-Y117 AromaticContact CD2-CE1 3.86Å; W90-Y117 HydrophobicContact CD2-CE1 3.86Å; W90-Y117 AromaticContact CD2-CE2 3.96Å; W90-Y117 HydrophobicContact CD2-CE2 3.96Å; W90-Y117 AromaticContact CD2-CG 3.57Å; W90-Y117 HydrophobicContact CD2-CG 3.57Å; W90-Y117 AromaticContact CD2-CZ 3.98Å; W90-Y117 AromaticContact CE2-CD1 3.56Å; W90-Y117 AromaticContact CE2-CD2 3.84Å; W90-Y117 AromaticContact CE2-CE1 3.25Å; W90-Y117 AromaticContact CE2-CE2 3.52Å; W90-Y117 AromaticContact CE2-CG 3.84Å; W90-Y117 AromaticContact CE2-CZ 3.18Å; W90-Y117 AromaticContact CE3-CD1 3.54Å; W90-Y117 HydrophobicContact CE3-CD1 3.54Å; W90-Y117 HydrophobicContact CE3-CD2 4.36Å; W90-Y117 HydrophobicContact CE3-CE1 4.08Å; W90-Y117 AromaticContact CE3-CG 3.7Å; W90-Y117 HydrophobicContact CE3-CG 3.7Å; W90-Y117 AromaticContact CG-CD2 3.85Å; W90-Y117 HydrophobicContact CG-CD2 3.85Å; W90-Y117 HydrophobicContact CG-CE2 4.09Å; W90-Y117 HydrophobicContact CG-CG 4.07Å; W90-Y117 AromaticContact CH2-CD1 3.38Å; W90-Y117 HydrophobicContact CH2-CD1 3.38Å; W90-Y117 AromaticContact CH2-CE1 3.22Å; W90-Y117 HydrophobicContact CH2-CE1 3.22Å; W90-Y117 HydrophobicContact CH2-CG 4.33Å; W90-Y117 AromaticContact CZ2-CD1 3.48Å; W90-Y117 HydrophobicContact CZ2-CD1 3.48Å; W90-Y117 VanDerWaalsContact CZ2-CD1 3.48Å; W90-Y117 AromaticContact CZ2-CE1 2.93Å; W90-Y117 HydrophobicContact CZ2-CE1 2.93Å; W90-Y117 HydrophobicContact CZ2-CE2 4.08Å; W90-Y117 HydrophobicContact CZ2-CG 4.24Å; W90-Y117 AromaticContact CZ2-CZ 3.25Å; W90-Y117 WeakPolarHBondContact CZ2-OH 3.44Å; W90-Y117 AromaticContact CZ3-CD1 3.41Å; W90-Y117 HydrophobicContact CZ3-CD1 3.41Å; W90-Y117 VanDerWaalsContact CZ3-CD1 3.41Å; W90-Y117 AromaticContact CZ3-CE1 3.79Å; W90-Y117 HydrophobicContact CZ3-CE1 3.79Å; W90-Y117 HydrophobicContact CZ3-CG 4.07Å; W90-Y117 AromaticContact NE1-CD2 3.84Å; W90-Y117 AromaticContact NE1-CE1 3.88Å; W90-Y117 AromaticContact NE1-CE2 3.28Å; W90-Y117 VanDerWaalsContact NE1-CE2 3.28Å; W90-Y117 AromaticContact NE1-CZ 3.27Å; W90-Y117 VanDerWaalsContact NE1-CZ 3.27Å
91	V	98.9	Very high	97.4	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.6	-172	178.8	0	0	0	0	111.8	V70 S81 A84 A89 P119 Q120	V70-V91 HydrophobicContact CB-CG2 4.38Å; V70-V91 CarbonylContact O-C 3.6Å; V70-V91 WeakPolarHBondContact O-CA 3.43Å; S81-V91 WeakPolarHBondContact OG-CG1 3.15Å; A84-V91 HydrophobicContact CB-CG2 3.86Å; A89-V91 HydrophobicContact CB-CG2 3.76Å; A89-V91 PolarHBondContact O-N 2.83Å; V91-P119 HydrophobicContact CB-CB 4.16Å; V91-P119 HydrophobicContact CG1-CB 4.5Å; V91-P119 WeakPolarHBondContact O-CA 3.29Å; V91-Q120 PolarHBondContact O-N 2.84Å
92	T	98.8	Very high	97.1	Very high	14 Å²	14	30.3 Å²	30.3	9%	0.086	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	108.4	159.4	-56.6	0	0	0	0	108.2	V70 L71 E72 T94 A122	V70-T92 PolarHBondContact O-N 2.71Å; L71-T92 WeakPolarHBondContact CA-O 3.4Å; L71-T92 HydrophobicContact CD1-CG2 4.04Å; E72-T92 PolarHBondContact N-O 2.85Å; T92-T94 HydrophobicContact CG2-CG2 3.94Å; T92-A122 HydrophobicContact CG2-CB 4.33Å
93	A	98.8	Very high	97	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.5	176.2	0	0	0	0	0	109.6	A75 S81 L103 L107 Q120 V121 A122	A75-A93 HydrophobicContact CB-CB 4.11Å; S81-A93 WeakPolarHBondContact OG-CB 3.31Å; A93-L103 HydrophobicContact CB-CD1 4.11Å; A93-L103 HydrophobicContact CB-CD2 3.95Å; A93-L103 HydrophobicContact CB-CG 4.29Å; A93-L107 HydrophobicContact CB-CD1 3.76Å; A93-Q120 PolarHBondContact N-O 3.04Å; A93-V121 WeakPolarHBondContact O-CA 3.3Å; A93-A122 PolarHBondContact O-N 3.4Å; A93-A122 VanDerWaalsContact O-N 3.07Å
94	T	98.7	Very high	96.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.8	-177.1	70.4	0	0	0	0	113.5	L71 E72 G74 A75 T92 A122 L124	L71-T94 HydrophobicContact CD1-CG2 3.53Å; E72-T94 PolarHBondContact O-N 2.91Å; E72-T94 PolarHBondContact O-OG1 3.44Å; G74-T94 PolarHBondContact N-O 3.15Å; A75-T94 PolarHBondContact N-O 2.91Å; T92-T94 HydrophobicContact CG2-CG2 3.94Å; T94-A122 VanDerWaalsContact CA-O 3.29Å; T94-A122 WeakPolarHBondContact CA-O 3.32Å; T94-A122 HydrophobicContact CG2-CB 4.25Å; T94-L124 HydrophobicContact CG2-CB 4.14Å; T94-L124 HydrophobicContact CG2-CD1 4.24Å
95	D	97.4	Very high	96.8	Very high	18 Å²	18	35.6 Å²	35.6	10%	0.096	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	-174.5	175.8	-143.7	-64.2	0	0	0	110.1	G74 A75 G76 I99 L100 L103 A123 L124	G74-D95 VanDerWaalsContact CA-OD2 3.32Å; G74-D95 WeakPolarHBondContact CA-OD2 3.48Å; A75-D95 PolarHBondContact N-OD2 2.89Å; G76-D95 WeakPolarHBondContact CA-OD2 3.5Å; G76-D95 PolarHBondContact N-OD2 3.3Å; D95-I99 HydrophobicContact CB-CB 3.95Å; D95-I99 HydrophobicContact CB-CG2 3.94Å; D95-I99 WeakPolarHBondContact OD1-CG1 3.43Å; D95-L100 HydrophobicContact CB-CD2 4.23Å; D95-L103 HydrophobicContact CB-CD2 4.33Å; D95-A123 WeakPolarHBondContact O-CA 3.3Å; D95-L124 PolarHBondContact O-N 2.97Å
96	L	95.5	Very high	96.7	Very high	79 Å²	79	35.6 Å²	35.6	41%	0.414	19%	0.191	S	C	.	.			trans	-66	151.5	173.7	-63.9	176	0	0	0	111.8	D98 I99 L100	L96-D98 WeakPolarHBondContact CB-OD1 3.49Å; L96-D98 PolarHBondContact O-N 3.13Å; L96-D98 VanDerWaalsContact O-N 3.12Å; L96-I99 HydrophobicContact CB-CG1 4.39Å; L96-I99 WeakPolarHBondContact O-CB 3.37Å; L96-I99 PolarHBondContact O-N 3.43Å; L96-L100 WeakPolarHBondContact O-CG 3.49Å; L96-L100 PolarHBondContact O-N 3.44Å
97	P	94.5	Very high	96.7	Very high	85 Å²	85	34.6 Å²	34.6	55%	0.552	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-35.8	-175.2	-30.2	36.4	0	0	0	115.7	I99 A123	P97-I99 VanDerWaalsContact C-N 3.3Å; P97-I99 PolarHBondContact O-N 3.26Å; P97-A123 HydrophobicContact CG-CB 4.36Å
98	D	92.7	Very high	96.6	Very high	107 Å²	107	42.2 Å²	42.2	57%	0.572	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-25.2	-179.8	60.1	-48.5	0	0	0	113.1	L96	L96-D98 WeakPolarHBondContact CB-OD1 3.49Å; L96-D98 PolarHBondContact O-N 3.13Å; L96-D98 VanDerWaalsContact O-N 3.12Å
99	I	94.2	Very high	96.5	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.046	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-27.9	179.6	-54.4	-55	0	0	0	112.1	S40 G76 D95 L96 P97 S101 N102 L103	S40-I99 WeakPolarHBondContact OG-CD1 3.28Å; G76-I99 VanDerWaalsContact O-CG2 3.29Å; G76-I99 WeakPolarHBondContact O-CG2 3.5Å; D95-I99 HydrophobicContact CB-CB 3.95Å; D95-I99 HydrophobicContact CB-CG2 3.94Å; D95-I99 WeakPolarHBondContact OD1-CG1 3.43Å; L96-I99 HydrophobicContact CB-CG1 4.39Å; L96-I99 WeakPolarHBondContact O-CB 3.37Å; L96-I99 PolarHBondContact O-N 3.43Å; P97-I99 VanDerWaalsContact C-N 3.3Å; P97-I99 PolarHBondContact O-N 3.26Å; I99-S101 VanDerWaalsContact C-N 3.26Å; I99-S101 PolarHBondContact O-N 3.02Å; I99-S101 VanDerWaalsContact O-N 3.1Å; I99-N102 PolarHBondContact O-N 3.42Å; I99-L103 PolarHBondContact O-N 3.16Å
100	L	95	Very high	96.5	Very high	34 Å²	34	47.9 Å²	47.9	18%	0.178	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-33.2	-167.5	-56.2	-173.7	0	0	0	114.3	D95 L96 L103 S104 V121 A123	D95-L100 HydrophobicContact CB-CD2 4.23Å; L96-L100 WeakPolarHBondContact O-CG 3.49Å; L96-L100 PolarHBondContact O-N 3.44Å; L100-L103 HydrophobicContact CD2-CD2 4.33Å; L100-S104 WeakPolarHBondContact O-CB 3.34Å; L100-S104 PolarHBondContact O-N 3.16Å; L100-V121 HydrophobicContact CB-CG1 4.02Å; L100-V121 HydrophobicContact CD2-CG1 3.8Å; L100-V121 HydrophobicContact CG-CG1 4.35Å; L100-A123 HydrophobicContact CD1-CB 3.82Å
101	S	93.6	Very high	96.4	Very high	94 Å²	94	41.7 Å²	41.7	66%	0.657	21%	0.211	S	C	*	.	H	α-helix	trans	-63.2	-46.2	178.1	-178.1	0	0	0	0	111.4	I99 F105	I99-S101 VanDerWaalsContact C-N 3.26Å; I99-S101 PolarHBondContact O-N 3.02Å; I99-S101 VanDerWaalsContact O-N 3.1Å; S101-F105 WeakPolarHBondContact O-CB 3.49Å; S101-F105 PolarHBondContact O-N 2.78Å; S101-F105 VanDerWaalsContact O-N 3.11Å
102	N	94.1	Very high	96.3	Very high	18 Å²	18	50.3 Å²	50.3	10%	0.096	25%	0.248	C	C	.	.	H	α-helix	trans	-71.2	-42.9	178.4	-166.6	52.4	0	0	0	111.6	R35 I99 S104 F105 N106	R35-N102 VanDerWaalsContact CZ-OD1 3.31Å; R35-N102 PolarHBondContact NE-OD1 2.91Å; R35-N102 PolarHBondContact NH2-OD1 3.13Å; R35-N102 PolarHBondContact O-ND2 3.42Å; I99-N102 PolarHBondContact O-N 3.42Å; N102-S104 PolarHBondContact O-N 3.37Å; N102-F105 WeakPolarHBondContact O-CB 3.42Å; N102-F105 PolarHBondContact O-N 3.44Å; N102-N106 PolarHBondContact ND2-ND2 3.09Å; N102-N106 PolarHBondContact O-N 3.2Å
103	L	96.2	Very high	96.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-55.3	-49.4	175.1	176.5	55.1	0	0	0	111.4	A75 A93 D95 I99 L100 F105 N106 L107 V121	A75-L103 HydrophobicContact CB-CD1 3.97Å; A75-L103 HydrophobicContact CB-CD2 3.94Å; A93-L103 HydrophobicContact CB-CD1 4.11Å; A93-L103 HydrophobicContact CB-CD2 3.95Å; A93-L103 HydrophobicContact CB-CG 4.29Å; D95-L103 HydrophobicContact CB-CD2 4.33Å; I99-L103 PolarHBondContact O-N 3.16Å; L100-L103 HydrophobicContact CD2-CD2 4.33Å; L103-F105 VanDerWaalsContact C-N 3.34Å; L103-F105 PolarHBondContact O-N 2.99Å; L103-N106 PolarHBondContact O-N 2.97Å; L103-L107 HydrophobicContact CD1-CD1 3.63Å; L103-L107 HydrophobicContact CD1-CG 4.22Å; L103-L107 HydrophobicContact CG-CD1 3.85Å; L103-L107 WeakPolarHBondContact O-CB 3.5Å; L103-L107 WeakPolarHBondContact O-CD1 3.44Å; L103-L107 WeakPolarHBondContact O-CG 3.44Å; L103-L107 PolarHBondContact O-N 3.18Å; L103-V121 HydrophobicContact CD2-CG1 3.96Å; L103-V121 HydrophobicContact CG-CG1 4.22Å; L103-V121 HydrophobicContact CG-CG2 4.25Å
104	S	97.2	Very high	96	Very high	27 Å²	27	59.5 Å²	59.5	19%	0.189	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-39.7	178	-164	0	0	0	0	112.5	L100 N102 R108	L100-S104 WeakPolarHBondContact O-CB 3.34Å; L100-S104 PolarHBondContact O-N 3.16Å; N102-S104 PolarHBondContact O-N 3.37Å; S104-R108 WeakPolarHBondContact O-CB 3.14Å; S104-R108 VanDerWaalsContact O-CG 3.24Å; S104-R108 WeakPolarHBondContact O-CG 3.43Å; S104-R108 PolarHBondContact O-N 2.92Å; S104-R108 PolarHBondContact OG-NE 3.06Å
105	F	95.7	Very high	95.9	Very high	85 Å²	85	60.6 Å²	60.6	37%	0.373	32%	0.316	S	S	.	.	H	α-helix	trans	-60.6	-50.9	175.5	175.1	-94.4	0	0	0	111.6	R35 S101 N102 L103 R108 R109	R35-F105 HydrophobicContact CB-CD1 4.21Å; R35-F105 HydrophobicContact CB-CE1 3.95Å; S101-F105 WeakPolarHBondContact O-CB 3.49Å; S101-F105 PolarHBondContact O-N 2.78Å; S101-F105 VanDerWaalsContact O-N 3.11Å; N102-F105 WeakPolarHBondContact O-CB 3.42Å; N102-F105 PolarHBondContact O-N 3.44Å; L103-F105 VanDerWaalsContact C-N 3.34Å; L103-F105 PolarHBondContact O-N 2.99Å; F105-R108 PolarHBondContact O-N 2.95Å; F105-R109 WeakPolarHBondContact O-CB 3.35Å; F105-R109 PolarHBondContact O-N 2.88Å
106	N	96.8	Very high	95.9	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-43.9	-179.5	-75.4	-24.6	0	0	0	111.8	I34 R35 T77 I82 N102 L103 R109 N110	I34-N106 HydrophobicContact CD1-CB 4.43Å; R35-N106 WeakPolarHBondContact CB-OD1 3.36Å; R35-N106 PolarHBondContact N-OD1 3.31Å; R35-N106 PolarHBondContact O-ND2 2.9Å; R35-N106 VanDerWaalsContact O-ND2 3.1Å; T77-N106 WeakPolarHBondContact O-CB 3.46Å; T77-N106 PolarHBondContact O-ND2 3.35Å; I82-N106 HydrophobicContact CD1-CB 4.29Å; N102-N106 PolarHBondContact ND2-ND2 3.09Å; N102-N106 PolarHBondContact O-N 3.2Å; L103-N106 PolarHBondContact O-N 2.97Å; N106-R109 PolarHBondContact O-N 2.93Å; N106-N110 PolarHBondContact O-N 2.93Å; N106-N110 PolarHBondContact O-ND2 3.2Å
107	L	98	Very high	96.1	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-58.7	-52.2	176.1	-79.3	159.7	0	0	0	111.4	I82 A93 L103 R109 N110 T111 P119 V121	I82-L107 HydrophobicContact CG1-CD2 3.71Å; I82-L107 HydrophobicContact CG1-CG 4.29Å; A93-L107 HydrophobicContact CB-CD1 3.76Å; L103-L107 HydrophobicContact CD1-CD1 3.63Å; L103-L107 HydrophobicContact CD1-CG 4.22Å; L103-L107 HydrophobicContact CG-CD1 3.85Å; L103-L107 WeakPolarHBondContact O-CB 3.5Å; L103-L107 WeakPolarHBondContact O-CD1 3.44Å; L103-L107 WeakPolarHBondContact O-CG 3.44Å; L103-L107 PolarHBondContact O-N 3.18Å; L107-R109 VanDerWaalsContact C-N 3.35Å; L107-R109 PolarHBondContact O-N 2.63Å; L107-N110 PolarHBondContact O-N 3.26Å; L107-T111 WeakPolarHBondContact O-CB 3.3Å; L107-T111 WeakPolarHBondContact O-CG2 3.37Å; L107-T111 PolarHBondContact O-N 3.49Å; L107-T111 PolarHBondContact O-OG1 3.22Å; L107-P119 HydrophobicContact CB-CG 4.06Å; L107-P119 HydrophobicContact CD2-CB 3.88Å; L107-P119 HydrophobicContact CD2-CG 3.8Å; L107-P119 HydrophobicContact CG-CG 4.42Å; L107-V121 HydrophobicContact CD1-CG2 3.41Å; L107-V121 VanDerWaalsContact CD1-CG2 3.41Å
108	R	97.1	Very high	96.2	Very high	177 Å²	177	68.7 Å²	68.7	67%	0.668	34%	0.339	S	S	*	.	H	α-helix	trans	-61.1	-42.4	-179.2	-72.8	173.9	-175.4	-173.1	3.4	112.3	S104 F105 N110 K112	S104-R108 WeakPolarHBondContact O-CB 3.14Å; S104-R108 VanDerWaalsContact O-CG 3.24Å; S104-R108 WeakPolarHBondContact O-CG 3.43Å; S104-R108 PolarHBondContact O-N 2.92Å; S104-R108 PolarHBondContact OG-NE 3.06Å; F105-R108 PolarHBondContact O-N 2.95Å; R108-N110 PolarHBondContact O-N 2.92Å; R108-K112 WeakPolarHBondContact O-CB 3.16Å; R108-K112 PolarHBondContact O-N 3.46Å
109	R	96.3	Very high	96.5	Very high	119 Å²	119	64.4 Å²	64.4	45%	0.449	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-36.1	180	-176.7	179.4	-177.7	-171.5	0.7	112.1	F105 N106 L107	F105-R109 WeakPolarHBondContact O-CB 3.35Å; F105-R109 PolarHBondContact O-N 2.88Å; N106-R109 PolarHBondContact O-N 2.93Å; L107-R109 VanDerWaalsContact C-N 3.35Å; L107-R109 PolarHBondContact O-N 2.63Å
110	N	98.1	Very high	96.7	Very high	2 Å²	2	69.8 Å²	69.8	1%	0.011	34%	0.342	C	S	.	.	H	α-helix	trans	-104.1	-17.1	-169.7	-65.9	-68.2	0	0	0	114.7	I32 N33 I82 N106 L107 R108 R114	I32-N110 WeakPolarHBondContact CA-OD1 3.32Å; I32-N110 HydrophobicContact CG2-CB 4.29Å; N33-N110 PolarHBondContact N-OD1 2.92Å; N33-N110 PolarHBondContact O-ND2 3.38Å; I82-N110 HydrophobicContact CD1-CB 3.92Å; I82-N110 HydrophobicContact CG1-CB 4.15Å; I82-N110 HydrophobicContact CG2-CB 3.62Å; N106-N110 PolarHBondContact O-N 2.93Å; N106-N110 PolarHBondContact O-ND2 3.2Å; L107-N110 PolarHBondContact O-N 3.26Å; R108-N110 PolarHBondContact O-N 2.92Å; N110-R114 WeakPolarHBondContact O-CD 3.47Å
111	T	97.9	Very high	96.8	Very high	4 Å²	4	70.4 Å²	70.4	3%	0.025	35%	0.347	C	S	.	.	H	α-helix	trans	-111	-22	-175.7	63.1	0	0	0	0	114	I82 L107 G113 R114 S115 P119	I82-T111 HydrophobicContact CB-CG2 4.49Å; I82-T111 HydrophobicContact CG1-CG2 4.34Å; I82-T111 HydrophobicContact CG2-CG2 4.21Å; L107-T111 WeakPolarHBondContact O-CB 3.3Å; L107-T111 WeakPolarHBondContact O-CG2 3.37Å; L107-T111 PolarHBondContact O-N 3.49Å; L107-T111 PolarHBondContact O-OG1 3.22Å; T111-G113 PolarHBondContact O-N 3.03Å; T111-G113 VanDerWaalsContact O-N 3.09Å; T111-R114 PolarHBondContact O-N 3.43Å; T111-S115 PolarHBondContact O-N 2.86Å; T111-S115 PolarHBondContact O-OG 3.01Å; T111-P119 HydrophobicContact CG2-CG 4.17Å; T111-P119 WeakPolarHBondContact OG1-CD 3.42Å; T111-P119 WeakPolarHBondContact OG1-CG 3.37Å
112	K	96.1	Very high	97.1	Very high	183 Å²	183	67.2 Å²	67.2	80%	0.796	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	117.5	-177	-175.2	179.4	-179	-178	0	111.5	R108 R114	R108-K112 WeakPolarHBondContact O-CB 3.16Å; R108-K112 PolarHBondContact O-N 3.46Å; K112-R114 PolarHBondContact O-N 3.37Å
113	G	95.8	Very high	97.3	Very high	87 Å²	87	68.8 Å²	68.8	90%	0.897	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	8.3	-178.4	0	0	0	0	0	114.5	T111	T111-G113 PolarHBondContact O-N 3.03Å; T111-G113 VanDerWaalsContact O-N 3.09Å
114	R	96.2	Very high	97.4	Very high	119 Å²	119	69.1 Å²	69.1	45%	0.449	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-29.9	-179.5	-60	178.6	-177.4	-175.8	-1.1	112.5	E31 L86 N110 T111 K112	E31-R114 PolarHBondContact O-NH1 3.07Å; E31-R114 VanDerWaalsContact O-NH1 3.16Å; L86-R114 HydrophobicContact CD2-CB 3.76Å; N110-R114 WeakPolarHBondContact O-CD 3.47Å; T111-R114 PolarHBondContact O-N 3.43Å; K112-R114 PolarHBondContact O-N 3.37Å
115	S	96.1	Very high	97.3	Very high	24 Å²	24	69.6 Å²	69.6	17%	0.168	35%	0.347	C	S	.	.	S	Bend	trans	-93	153.9	175.8	64.9	0	0	0	0	112.3	S85 T111 Y117	S85-S115 WeakPolarHBondContact OG-CB 3.35Å; T111-S115 PolarHBondContact O-N 2.86Å; T111-S115 PolarHBondContact O-OG 3.01Å; S115-Y117 WeakPolarHBondContact CB-O 3.47Å; S115-Y117 PolarHBondContact OG-O 2.94Å
116	R	97.5	Very high	97.5	Very high	157 Å²	157	67.5 Å²	67.5	59%	0.592	34%	0.337	S	S	*	.	S	Bend	trans	-68.6	-37	174.4	-174.6	173.9	178.4	74.7	-1.1	112.2	D67	D67-R116 WeakPolarHBondContact OD1-CD 3.28Å; D67-R116 IonicContact OD1-CZ 3.91Å; D67-R116 IonicContact OD1-NE 2.76Å; D67-R116 PolarHBondContact OD1-NE 3.48Å; D67-R116 IonicContact OD1-NH2 3.29Å
117	Y	98.1	Very high	97.4	Very high	39 Å²	39	69.1 Å²	69.1	15%	0.153	35%	0.354	C	S	.	.	S	Bend	trans	-123.8	143.6	-179.5	-55.5	-64.9	0	0	0	110.3	D67 S85 G88 W90 S115 P119	D67-Y117 VanDerWaalsContact OD1-CE2 3.27Å; D67-Y117 WeakPolarHBondContact OD1-CE2 3.29Å; D67-Y117 VanDerWaalsContact OD1-CZ 3.29Å; D67-Y117 PolarHBondContact OD1-OH 3.31Å; S85-Y117 PolarHBondContact OG-O 2.98Å; G88-Y117 WeakPolarHBondContact O-CD2 3.36Å; G88-Y117 WeakPolarHBondContact O-CE2 3.33Å; W90-Y117 AromaticContact CD1-CD2 3.87Å; W90-Y117 AromaticContact CD1-CE2 3.68Å; W90-Y117 AromaticContact CD2-CD1 3.63Å; W90-Y117 HydrophobicContact CD2-CD1 3.63Å; W90-Y117 AromaticContact CD2-CD2 3.77Å; W90-Y117 HydrophobicContact CD2-CD2 3.77Å; W90-Y117 AromaticContact CD2-CE1 3.86Å; W90-Y117 HydrophobicContact CD2-CE1 3.86Å; W90-Y117 AromaticContact CD2-CE2 3.96Å; W90-Y117 HydrophobicContact CD2-CE2 3.96Å; W90-Y117 AromaticContact CD2-CG 3.57Å; W90-Y117 HydrophobicContact CD2-CG 3.57Å; W90-Y117 AromaticContact CD2-CZ 3.98Å; W90-Y117 AromaticContact CE2-CD1 3.56Å; W90-Y117 AromaticContact CE2-CD2 3.84Å; W90-Y117 AromaticContact CE2-CE1 3.25Å; W90-Y117 AromaticContact CE2-CE2 3.52Å; W90-Y117 AromaticContact CE2-CG 3.84Å; W90-Y117 AromaticContact CE2-CZ 3.18Å; W90-Y117 AromaticContact CE3-CD1 3.54Å; W90-Y117 HydrophobicContact CE3-CD1 3.54Å; W90-Y117 HydrophobicContact CE3-CD2 4.36Å; W90-Y117 HydrophobicContact CE3-CE1 4.08Å; W90-Y117 AromaticContact CE3-CG 3.7Å; W90-Y117 HydrophobicContact CE3-CG 3.7Å; W90-Y117 AromaticContact CG-CD2 3.85Å; W90-Y117 HydrophobicContact CG-CD2 3.85Å; W90-Y117 HydrophobicContact CG-CE2 4.09Å; W90-Y117 HydrophobicContact CG-CG 4.07Å; W90-Y117 AromaticContact CH2-CD1 3.38Å; W90-Y117 HydrophobicContact CH2-CD1 3.38Å; W90-Y117 AromaticContact CH2-CE1 3.22Å; W90-Y117 HydrophobicContact CH2-CE1 3.22Å; W90-Y117 HydrophobicContact CH2-CG 4.33Å; W90-Y117 AromaticContact CZ2-CD1 3.48Å; W90-Y117 HydrophobicContact CZ2-CD1 3.48Å; W90-Y117 VanDerWaalsContact CZ2-CD1 3.48Å; W90-Y117 AromaticContact CZ2-CE1 2.93Å; W90-Y117 HydrophobicContact CZ2-CE1 2.93Å; W90-Y117 HydrophobicContact CZ2-CE2 4.08Å; W90-Y117 HydrophobicContact CZ2-CG 4.24Å; W90-Y117 AromaticContact CZ2-CZ 3.25Å; W90-Y117 WeakPolarHBondContact CZ2-OH 3.44Å; W90-Y117 AromaticContact CZ3-CD1 3.41Å; W90-Y117 HydrophobicContact CZ3-CD1 3.41Å; W90-Y117 VanDerWaalsContact CZ3-CD1 3.41Å; W90-Y117 AromaticContact CZ3-CE1 3.79Å; W90-Y117 HydrophobicContact CZ3-CE1 3.79Å; W90-Y117 HydrophobicContact CZ3-CG 4.07Å; W90-Y117 AromaticContact NE1-CD2 3.84Å; W90-Y117 AromaticContact NE1-CE1 3.88Å; W90-Y117 AromaticContact NE1-CE2 3.28Å; W90-Y117 VanDerWaalsContact NE1-CE2 3.28Å; W90-Y117 AromaticContact NE1-CZ 3.27Å; W90-Y117 VanDerWaalsContact NE1-CZ 3.27Å; S115-Y117 WeakPolarHBondContact CB-O 3.47Å; S115-Y117 PolarHBondContact OG-O 2.94Å; Y117-P119 WeakPolarHBondContact O-CD 3.43Å
118	I	97.9	Very high	97.3	Very high	155 Å²	155	74.6 Å²	74.6	80%	0.795	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-73.5	119	173.9	-59.4	174.1	0	0	0	107.3
119	P	98.3	Very high	97.2	Very high	17 Å²	17	71.2 Å²	71.2	11%	0.11	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-67	143.1	178.6	29	-35.6	0	0	0	110.9	V91 L107 T111 Y117	V91-P119 HydrophobicContact CB-CB 4.16Å; V91-P119 HydrophobicContact CG1-CB 4.5Å; V91-P119 WeakPolarHBondContact O-CA 3.29Å; L107-P119 HydrophobicContact CB-CG 4.06Å; L107-P119 HydrophobicContact CD2-CB 3.88Å; L107-P119 HydrophobicContact CD2-CG 3.8Å; L107-P119 HydrophobicContact CG-CG 4.42Å; T111-P119 HydrophobicContact CG2-CG 4.17Å; T111-P119 WeakPolarHBondContact OG1-CD 3.42Å; T111-P119 WeakPolarHBondContact OG1-CG 3.37Å; Y117-P119 WeakPolarHBondContact O-CD 3.43Å
120	Q	98.4	Very high	97.2	Very high	123 Å²	123	66.4 Å²	66.4	58%	0.575	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	151.2	175.9	-59.5	-175.7	6.7	0	0	110.4	V91 A93	V91-Q120 PolarHBondContact O-N 2.84Å; A93-Q120 PolarHBondContact N-O 3.04Å
121	V	98.4	Very high	97.1	Very high	46 Å²	46	71.2 Å²	71.2	28%	0.279	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130	174.7	177.9	0	0	0	0	107.8	A93 L100 L103 L107	A93-V121 WeakPolarHBondContact O-CA 3.3Å; L100-V121 HydrophobicContact CB-CG1 4.02Å; L100-V121 HydrophobicContact CD2-CG1 3.8Å; L100-V121 HydrophobicContact CG-CG1 4.35Å; L103-V121 HydrophobicContact CD2-CG1 3.96Å; L103-V121 HydrophobicContact CG-CG1 4.22Å; L103-V121 HydrophobicContact CG-CG2 4.25Å; L107-V121 HydrophobicContact CD1-CG2 3.41Å; L107-V121 VanDerWaalsContact CD1-CG2 3.41Å
122	A	98.3	Very high	97	Very high	28 Å²	28	78.4 Å²	78.4	23%	0.231	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.4	178.8	0	0	0	0	0	111.4	T92 A93 T94 F134	T92-A122 HydrophobicContact CG2-CB 4.33Å; A93-A122 PolarHBondContact O-N 3.4Å; A93-A122 VanDerWaalsContact O-N 3.07Å; T94-A122 VanDerWaalsContact CA-O 3.29Å; T94-A122 WeakPolarHBondContact CA-O 3.32Å; T94-A122 HydrophobicContact CG2-CB 4.25Å; A122-F134 HydrophobicContact CB-CZ 4.22Å
123	A	98.1	Very high	96.9	Very high	50 Å²	50	72.8 Å²	72.8	41%	0.413	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.6	170.9	0	0	0	0	0	109.7	D95 P97 L100	D95-A123 WeakPolarHBondContact O-CA 3.3Å; P97-A123 HydrophobicContact CG-CB 4.36Å; L100-A123 HydrophobicContact CD1-CB 3.82Å
124	L	98.3	Very high	97	Very high	7 Å²	7	69.2 Å²	69.2	4%	0.037	34%	0.342	C	S	.	.			trans	-149.5	109	170.1	-167.8	157.2	0	0	0	109.3	L73 T94 D95 L130 F134 T162 F166	L73-L124 HydrophobicContact CD2-CD1 4Å; L73-L124 HydrophobicContact CD2-CD2 4.25Å; T94-L124 HydrophobicContact CG2-CB 4.14Å; T94-L124 HydrophobicContact CG2-CD1 4.24Å; D95-L124 PolarHBondContact O-N 2.97Å; L124-L130 HydrophobicContact CD2-CD2 4.38Å; L124-L130 HydrophobicContact CG-CD2 4.4Å; L124-F134 HydrophobicContact CB-CE2 4.27Å; L124-F134 HydrophobicContact CB-CZ 4.48Å; L124-F134 HydrophobicContact CD1-CD2 4.11Å; L124-F134 HydrophobicContact CD1-CE2 3.76Å; L124-F134 HydrophobicContact CD1-CZ 4.06Å; L124-F134 HydrophobicContact CG-CE2 4.04Å; L124-T162 HydrophobicContact CD2-CG2 3.84Å; L124-F166 HydrophobicContact CD1-CE2 3.83Å; L124-F166 HydrophobicContact CD1-CZ 3.89Å
125	S	97	Very high	97	Very high	37 Å²	37	65.3 Å²	65.3	26%	0.259	33%	0.332	S	S	.	.			trans	-87.9	126.4	165.1	-61.3	0	0	0	0	108.3	G127 Q128	S125-G127 PolarHBondContact O-N 2.86Å; S125-Q128 PolarHBondContact O-N 3.37Å
126	W	98	Very high	96.7	Very high	41 Å²	41	68 Å²	68	16%	0.155	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	139.1	-177.5	-56.9	-34.4	0	0	0	111.5	Q128 V149 H153 F155 E158 L159 T162	W126-Q128 PolarHBondContact O-N 2.81Å; W126-Q128 VanDerWaalsContact O-N 3.13Å; W126-V149 HydrophobicContact CH2-CB 4.04Å; W126-V149 HydrophobicContact CH2-CG1 4.41Å; W126-V149 HydrophobicContact CZ2-CB 4.04Å; W126-V149 HydrophobicContact CZ2-CG1 4.01Å; W126-H153 AromaticContact CZ3-CE1 3.53Å; W126-H153 AromaticContact CZ3-NE2 3.95Å; W126-F155 HydrophobicContact CE3-CB 4.22Å; W126-E158 HydrophobicContact CB-CB 4.03Å; W126-L159 HydrophobicContact CD2-CB 4.11Å; W126-L159 HydrophobicContact CD2-CD1 3.8Å; W126-L159 HydrophobicContact CE3-CB 3.9Å; W126-L159 HydrophobicContact CE3-CD1 4.21Å; W126-L159 HydrophobicContact CG-CB 4.45Å; W126-L159 HydrophobicContact CG-CD1 4.19Å; W126-L159 HydrophobicContact CH2-CD1 4.38Å; W126-L159 HydrophobicContact CZ2-CD1 3.99Å; W126-L159 HydrophobicContact CZ3-CB 4.42Å; W126-L159 HydrophobicContact CZ3-CD1 4.49Å; W126-T162 VanDerWaalsContact CA-OG1 3.28Å; W126-T162 WeakPolarHBondContact CA-OG1 3.49Å; W126-T162 WeakPolarHBondContact CB-OG1 3.22Å
127	G	96.6	Very high	96.3	Very high	35 Å²	35	64.6 Å²	64.6	36%	0.361	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	-3.8	177.5	0	0	0	0	0	115.6	S125 E158 T162	S125-G127 PolarHBondContact O-N 2.86Å; G127-E158 PolarHBondContact N-O 3.26Å; G127-T162 PolarHBondContact N-OG1 3.01Å
128	Q	95.6	Very high	96.1	Very high	117 Å²	117	67.5 Å²	67.5	55%	0.547	37%	0.365	S	S	.	.	S	Bend	trans	-104	125.6	-174.3	-62.7	-175.7	8.7	0	0	111.6	S125 W126 L130	S125-Q128 PolarHBondContact O-N 3.37Å; W126-Q128 PolarHBondContact O-N 2.81Å; W126-Q128 VanDerWaalsContact O-N 3.13Å; Q128-L130 PolarHBondContact O-N 3.29Å
129	E	95	Very high	95.8	Very high	106 Å²	106	65.2 Å²	65.2	50%	0.495	35%	0.347	S	S	.	.	S	Bend	trans	54.6	24.7	167.5	-57.5	-69.5	136.5	0	0	115.3	E131 R132 D133	E129-E131 VanDerWaalsContact C-N 3.35Å; E129-E131 PolarHBondContact O-N 3.38Å; E129-R132 HydrophobicContact CB-CB 4.39Å; E129-R132 VanDerWaalsContact CD-NH1 3.27Å; E129-R132 WeakPolarHBondContact O-CB 3.45Å; E129-R132 PolarHBondContact O-N 2.48Å; E129-R132 WeakPolarHBondContact OE2-CD 3.34Å; E129-R132 IonicContact OE2-CZ 3.65Å; E129-R132 IonicContact OE2-NE 3.82Å; E129-R132 IonicContact OE2-NH1 3.73Å; E129-R132 PolarHBondContact OE2-NH1 2.79Å; E129-D133 PolarHBondContact O-N 3.3Å
130	L	96	Very high	95.7	Very high	17 Å²	17	70.6 Å²	70.6	9%	0.089	37%	0.365	C	S	.	.	H	α-helix	trans	-60.8	-39	-171.9	-59.5	176	0	0	0	113.4	L124 Q128 R132 F134 T162 H165	L124-L130 HydrophobicContact CD2-CD2 4.38Å; L124-L130 HydrophobicContact CG-CD2 4.4Å; Q128-L130 PolarHBondContact O-N 3.29Å; L130-R132 VanDerWaalsContact C-N 3.29Å; L130-R132 PolarHBondContact O-N 2.95Å; L130-F134 CarbonylContact O-C 3.58Å; L130-F134 VanDerWaalsContact O-CA 3.25Å; L130-F134 WeakPolarHBondContact O-CA 3.4Å; L130-F134 PolarHBondContact O-N 2.86Å; L130-T162 HydrophobicContact CD1-CG2 4.26Å; L130-T162 HydrophobicContact CD2-CG2 4.18Å; L130-H165 VanDerWaalsContact C-CE1 3.42Å; L130-H165 WeakPolarHBondContact CB-ND1 3.39Å; L130-H165 HydrophobicContact CD1-CB 3.76Å; L130-H165 PolarHBondContact O-CE1 3.32Å; L130-H165 PolarHBondContact O-NE2 2.92Å
131	E	95	Very high	95.7	Very high	104 Å²	104	65.5 Å²	65.5	49%	0.486	34%	0.341	S	S	.	.	H	α-helix	trans	-73.5	-19.9	176.6	-67.6	-66.3	177.4	0	0	113.1	E129 P135 H165 R168	E129-E131 VanDerWaalsContact C-N 3.35Å; E129-E131 PolarHBondContact O-N 3.38Å; E131-P135 VanDerWaalsContact O-CB 3.32Å; E131-P135 WeakPolarHBondContact O-CB 3.21Å; E131-H165 IonicContact OE1-CE1 3.62Å; E131-H165 IonicContact OE1-ND1 3.56Å; E131-H165 IonicContact OE2-CE1 3.67Å; E131-R168 IonicContact OE1-CZ 3.32Å; E131-R168 VanDerWaalsContact OE1-CZ 3.29Å; E131-R168 IonicContact OE1-NH1 2.85Å; E131-R168 PolarHBondContact OE1-NH1 2.95Å; E131-R168 IonicContact OE1-NH2 2.77Å; E131-R168 PolarHBondContact OE1-NH2 2.95Å; E131-R168 IonicContact OE2-NH1 3.85Å; E131-R168 IonicContact OE2-NH2 2.81Å
132	R	95.9	Very high	95.7	Very high	155 Å²	155	65.3 Å²	65.3	59%	0.585	34%	0.338	S	S	*	.	H	α-helix	trans	-83.5	-48.8	175.6	-174.4	-164.5	72.2	-157.8	1.2	110.8	E129 L130	E129-R132 HydrophobicContact CB-CB 4.39Å; E129-R132 VanDerWaalsContact CD-NH1 3.27Å; E129-R132 WeakPolarHBondContact O-CB 3.45Å; E129-R132 PolarHBondContact O-N 2.48Å; E129-R132 WeakPolarHBondContact OE2-CD 3.34Å; E129-R132 IonicContact OE2-CZ 3.65Å; E129-R132 IonicContact OE2-NE 3.82Å; E129-R132 IonicContact OE2-NH1 3.73Å; E129-R132 PolarHBondContact OE2-NH1 2.79Å; L130-R132 VanDerWaalsContact C-N 3.29Å; L130-R132 PolarHBondContact O-N 2.95Å
133	D	95.3	Very high	95.7	Very high	65 Å²	65	65.4 Å²	65.4	35%	0.348	33%	0.333	S	S	.	.	H	α-helix	trans	-89.9	-30.6	-170.6	-65.4	-19.1	0	0	0	112.7	E129 P135	E129-D133 PolarHBondContact O-N 3.3Å; D133-P135 VanDerWaalsContact C-CD 3.42Å
134	F	96.6	Very high	95.7	Very high	12 Å²	12	63 Å²	63	5%	0.053	31%	0.313	C	S	.	.	S	Bend	trans	-131.8	55.5	179.7	-58.5	-86.8	0	0	0	112	A122 L124 L130 Y139 H165 F166	A122-F134 HydrophobicContact CB-CZ 4.22Å; L124-F134 HydrophobicContact CB-CE2 4.27Å; L124-F134 HydrophobicContact CB-CZ 4.48Å; L124-F134 HydrophobicContact CD1-CD2 4.11Å; L124-F134 HydrophobicContact CD1-CE2 3.76Å; L124-F134 HydrophobicContact CD1-CZ 4.06Å; L124-F134 HydrophobicContact CG-CE2 4.04Å; L130-F134 CarbonylContact O-C 3.58Å; L130-F134 VanDerWaalsContact O-CA 3.25Å; L130-F134 WeakPolarHBondContact O-CA 3.4Å; L130-F134 PolarHBondContact O-N 2.86Å; F134-Y139 HydrophobicContact CB-CG 4.24Å; F134-Y139 AromaticContact CD1-CD1 3.73Å; F134-Y139 HydrophobicContact CD1-CD1 3.73Å; F134-Y139 HydrophobicContact CD1-CE1 4.14Å; F134-Y139 HydrophobicContact CD1-CG 4.12Å; F134-Y139 HydrophobicContact CE1-CD1 4.43Å; F134-H165 PolarHBondContact O-NE2 3.23Å; F134-F166 HydrophobicContact CB-CE1 3.74Å; F134-F166 HydrophobicContact CB-CZ 3.73Å; F134-F166 HydrophobicContact CD1-CE1 4.39Å; F134-F166 HydrophobicContact CD1-CZ 4.27Å; F134-F166 HydrophobicContact CD2-CZ 4.31Å; F134-F166 HydrophobicContact CG-CE1 4.18Å; F134-F166 AromaticContact CG-CZ 3.85Å; F134-F166 HydrophobicContact CG-CZ 3.85Å
135	P	95.8	Very high	95.8	Very high	37 Å²	37	62.7 Å²	62.7	24%	0.24	31%	0.311	C	S	.	.			trans	-61.6	138.2	-176.6	21.7	-32.6	0	0	0	112.7	E131 D133 S138 Y139	E131-P135 VanDerWaalsContact O-CB 3.32Å; E131-P135 WeakPolarHBondContact O-CB 3.21Å; D133-P135 VanDerWaalsContact C-CD 3.42Å; P135-S138 PolarHBondContact O-N 2.97Å; P135-S138 VanDerWaalsContact O-N 3.1Å; P135-Y139 HydrophobicContact CG-CD2 4.07Å; P135-Y139 HydrophobicContact CG-CE2 4.35Å; P135-Y139 PolarHBondContact O-N 3.04Å
136	F	90.2	Very high	95.8	Very high	79 Å²	79	60.9 Å²	60.9	35%	0.346	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	139.4	166.2	-178.8	-91.5	0	0	0	110.6	R168	F136-R168 HydrophobicContact CD2-CG 4.41Å
137	P	90.4	Very high	95.8	Very high	87 Å²	87	59.5 Å²	59.5	57%	0.565	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	cis	-92.6	3.1	5	36.6	-35.8	0	0	0	115.1	Y139	P137-Y139 VanDerWaalsContact C-N 3.3Å; P137-Y139 PolarHBondContact O-N 2.95Å
138	S	92.5	Very high	95.7	Very high	100 Å²	100	58.2 Å²	58.2	70%	0.699	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-38.3	-175.4	-56.7	0	0	0	0	113	P135	P135-S138 PolarHBondContact O-N 2.97Å; P135-S138 VanDerWaalsContact O-N 3.1Å
139	Y	93.3	Very high	95.7	Very high	107 Å²	107	52.8 Å²	52.8	42%	0.42	26%	0.256	S	S	.	.	S	Bend	trans	-106.8	82.7	175.1	-70.6	-94.6	0	0	0	109.9	F134 P135 P137	F134-Y139 HydrophobicContact CB-CG 4.24Å; F134-Y139 AromaticContact CD1-CD1 3.73Å; F134-Y139 HydrophobicContact CD1-CD1 3.73Å; F134-Y139 HydrophobicContact CD1-CE1 4.14Å; F134-Y139 HydrophobicContact CD1-CG 4.12Å; F134-Y139 HydrophobicContact CE1-CD1 4.43Å; P135-Y139 HydrophobicContact CG-CD2 4.07Å; P135-Y139 HydrophobicContact CG-CE2 4.35Å; P135-Y139 PolarHBondContact O-N 3.04Å; P137-Y139 VanDerWaalsContact C-N 3.3Å; P137-Y139 PolarHBondContact O-N 2.95Å
140	R	95	Very high	95.7	Very high	130 Å²	130	47.8 Å²	47.8	49%	0.491	23%	0.232	S	C	.	.			trans	-112.5	132.9	176.6	-179.5	-179	176.1	-115.6	-5.9	109.9	S171	R140-S171 PolarHBondContact NE-O 3.03Å; R140-S171 PolarHBondContact NH2-O 3.12Å
141	Y	98.2	Very high	95.3	Very high	16 Å²	16	51.3 Å²	51.3	6%	0.063	25%	0.245	C	C	.	.			trans	-119	142.1	178.6	-59.6	-82.4	0	0	0	110.6	A69 L71 F166 T173	A69-Y141 HydrophobicContact CB-CD1 4.1Å; L71-Y141 HydrophobicContact CB-CD1 3.74Å; L71-Y141 HydrophobicContact CB-CD2 3.71Å; L71-Y141 HydrophobicContact CB-CE1 3.89Å; L71-Y141 HydrophobicContact CB-CE2 3.86Å; L71-Y141 HydrophobicContact CB-CG 3.64Å; L71-Y141 HydrophobicContact CD1-CE1 4.45Å; L71-Y141 HydrophobicContact CD1-CE2 4.13Å; L71-Y141 HydrophobicContact CD2-CD2 4.01Å; L71-Y141 HydrophobicContact CD2-CE2 3.86Å; L71-Y141 HydrophobicContact CG-CD2 4.39Å; L71-Y141 HydrophobicContact CG-CE2 4.18Å; Y141-F166 AromaticContact CD2-CD1 3.88Å; Y141-F166 HydrophobicContact CD2-CD1 3.88Å; Y141-F166 HydrophobicContact CD2-CE1 4.25Å; Y141-F166 AromaticContact CE2-CD1 3.96Å; Y141-F166 HydrophobicContact CE2-CD1 3.96Å; Y141-F166 AromaticContact CE2-CE1 3.83Å; Y141-F166 HydrophobicContact CE2-CE1 3.83Å; Y141-T173 WeakPolarHBondContact O-CB 3.29Å; Y141-T173 WeakPolarHBondContact O-CG2 3.48Å; Y141-T173 PolarHBondContact O-OG1 3.22Å
142	D	98.4	Very high	94.8	Very high	42 Å²	42	53.5 Å²	53.5	23%	0.225	26%	0.255	C	S	.	.	S	Bend	trans	-70.3	-39.8	170.1	-64.2	-83	0	0	0	110.2	K68 A69 T173 T174	K68-D142 WeakPolarHBondContact CA-OD2 3.45Å; K68-D142 HydrophobicContact CB-CB 4.02Å; K68-D142 HydrophobicContact CD-CB 3.79Å; K68-D142 WeakPolarHBondContact CD-OD2 3.34Å; K68-D142 HydrophobicContact CG-CB 4.37Å; K68-D142 IonicContact NZ-OD1 3.46Å; K68-D142 PolarHBondContact NZ-OD1 2.73Å; A69-D142 PolarHBondContact N-OD2 3.49Å; A69-D142 PolarHBondContact O-N 2.99Å; D142-T173 WeakPolarHBondContact O-CA 3.25Å; D142-T174 PolarHBondContact O-N 3.47Å
143	Y	98.8	Very high	94.3	Very high	29 Å²	29	47.3 Å²	47.3	11%	0.114	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.5	177.2	-64.4	-91.7	0	0	0	113.1	M63 L65 K68 A69 V70 L71 T174 L176	M63-Y143 HydrophobicContact SD-CE1 4.13Å; L65-Y143 HydrophobicContact CD2-CD1 4.28Å; L65-Y143 HydrophobicContact CD2-CD2 3.51Å; L65-Y143 HydrophobicContact CD2-CE1 4.41Å; L65-Y143 HydrophobicContact CD2-CE2 3.68Å; L65-Y143 HydrophobicContact CD2-CG 3.84Å; K68-Y143 HydrophobicContact CB-CD2 4.2Å; K68-Y143 HydrophobicContact CB-CE2 4.35Å; K68-Y143 HydrophobicContact CG-CD2 4.46Å; K68-Y143 HydrophobicContact CG-CE2 4.11Å; A69-Y143 PolarHBondContact O-N 3.49Å; A69-Y143 VanDerWaalsContact O-N 3.08Å; V70-Y143 WeakPolarHBondContact CA-O 3.38Å; L71-Y143 PolarHBondContact N-O 2.73Å; Y143-T174 CarbonylContact C-O 3.38Å; Y143-T174 WeakPolarHBondContact CA-O 3.19Å; Y143-T174 HydrophobicContact CD1-CG2 4.03Å; Y143-T174 HydrophobicContact CE1-CG2 3.93Å; Y143-L176 HydrophobicContact CD1-CD1 4.43Å
144	V	98.8	Very high	94.1	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.6	164.6	174.4	0	0	0	0	107.7	L71 L73 F166 T173 T174 L175 L176	L71-V144 HydrophobicContact CB-CG2 4.38Å; L71-V144 HydrophobicContact CD2-CG2 4.42Å; L71-V144 CarbonylContact O-C 3.6Å; L71-V144 WeakPolarHBondContact O-CA 3.4Å; L73-V144 HydrophobicContact CD1-CG1 3.82Å; L73-V144 HydrophobicContact CG-CG1 4Å; V144-F166 HydrophobicContact CG2-CB 3.62Å; V144-F166 HydrophobicContact CG2-CG 4.45Å; V144-T173 HydrophobicContact CB-CG2 4.36Å; V144-T173 HydrophobicContact CG2-CG2 3.65Å; V144-T174 PolarHBondContact N-O 3.5Å; V144-L175 HydrophobicContact CB-CB 4.33Å; V144-L175 HydrophobicContact CB-CD1 4.34Å; V144-L175 HydrophobicContact CB-CG 4.08Å; V144-L175 HydrophobicContact CG1-CD1 4.03Å; V144-L175 HydrophobicContact CG1-CG 4.05Å; V144-L175 CarbonylContact O-C 3.54Å; V144-L175 VanDerWaalsContact O-CA 3.28Å; V144-L175 WeakPolarHBondContact O-CA 3.42Å; V144-L176 PolarHBondContact O-N 3.41Å
145	L	98.9	Very high	94	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	141.7	179.3	-53.7	-177.3	0	0	0	109.6	L56 V70 L71 E72 L73 L80 A84 L176	L56-L145 HydrophobicContact CD1-CD1 4.28Å; V70-L145 HydrophobicContact CG1-CD1 3.56Å; V70-L145 HydrophobicContact CG1-CG 3.77Å; L71-L145 PolarHBondContact O-N 2.89Å; E72-L145 WeakPolarHBondContact CA-O 3.48Å; E72-L145 HydrophobicContact CB-CB 4.45Å; E72-L145 HydrophobicContact CG-CB 4.34Å; L73-L145 PolarHBondContact N-O 3.34Å; L80-L145 HydrophobicContact CD1-CD1 4.25Å; L80-L145 HydrophobicContact CD2-CB 3.92Å; L80-L145 HydrophobicContact CD2-CD1 4.26Å; L80-L145 HydrophobicContact CG-CD1 4.04Å; A84-L145 HydrophobicContact CB-CD1 4.17Å; L145-L176 WeakPolarHBondContact CA-O 3.43Å; L145-L176 HydrophobicContact CD2-CB 3.86Å; L145-L176 HydrophobicContact CD2-CD1 3.94Å; L145-L176 HydrophobicContact CD2-CG 4.21Å
146	A	98.6	Very high	93.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	134.6	172.8	0	0	0	0	0	110.1	L73 V149 M163 L176 W177 A178	L73-A146 HydrophobicContact CB-CB 4.48Å; A146-V149 HydrophobicContact CB-CG1 4.16Å; A146-V149 HydrophobicContact CB-CG2 3.73Å; A146-M163 HydrophobicContact CB-CE 3.91Å; A146-L176 PolarHBondContact N-O 2.73Å; A146-W177 VanDerWaalsContact O-CA 3.3Å; A146-W177 WeakPolarHBondContact O-CA 3.44Å; A146-A178 PolarHBondContact O-N 3.09Å
147	A	97.6	Very high	94.2	Very high	11 Å²	11	58.6 Å²	58.6	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	121.7	-176.5	0	0	0	0	0	111.6	A49 L80 V149 A178	A49-A147 HydrophobicContact CB-CB 4.06Å; L80-A147 HydrophobicContact CD2-CB 4.02Å; A147-V149 PolarHBondContact O-N 3.11Å; A147-V149 VanDerWaalsContact O-N 3.09Å; A147-A178 CarbonylContact C-O 3.49Å; A147-A178 WeakPolarHBondContact CA-O 3.2Å
148	D	94.7	Very high	94.6	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.043	27%	0.273	C	S	.	.	S	Bend	trans	52.5	27	-177.5	-87	-43.8	0	0	0	114.3	W46 P47 G48 V150 A178 N179 K180 R182	W46-D148 HydrophobicContact CB-CB 3.65Å; W46-D148 VanDerWaalsContact CB-OD2 3.32Å; W46-D148 WeakPolarHBondContact CB-OD2 3.49Å; W46-D148 HydrophobicContact CG-CB 4.2Å; P47-D148 WeakPolarHBondContact CD-OD2 3.34Å; G48-D148 WeakPolarHBondContact CA-OD2 3.45Å; G48-D148 PolarHBondContact N-OD2 2.76Å; D148-V150 PolarHBondContact O-N 3.45Å; D148-A178 PolarHBondContact N-O 2.9Å; D148-N179 VanDerWaalsContact CA-OD1 3.25Å; D148-N179 WeakPolarHBondContact CA-OD1 3.39Å; D148-K180 PolarHBondContact OD1-N 3.02Å; D148-R182 IonicContact OD1-CZ 3.47Å; D148-R182 IonicContact OD1-NH1 2.84Å; D148-R182 PolarHBondContact OD1-NH1 3.26Å; D148-R182 IonicContact OD1-NH2 3.13Å; D148-R182 PolarHBondContact OD1-NH2 2.92Å; D148-R182 VanDerWaalsContact OD1-NH2 3.13Å; D148-R182 IonicContact OD2-NH2 3.47Å; D148-R182 PolarHBondContact OD2-NH2 3.46Å
149	V	94.9	Very high	94.9	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.024	24%	0.24	C	C	.	.			trans	-74	-12.1	175.7	-66	0	0	0	0	113.4	L73 W126 A146 A147 H153 L159 M163 N179	L73-V149 VanDerWaalsContact O-CG1 3.3Å; L73-V149 WeakPolarHBondContact O-CG1 3.47Å; W126-V149 HydrophobicContact CH2-CB 4.04Å; W126-V149 HydrophobicContact CH2-CG1 4.41Å; W126-V149 HydrophobicContact CZ2-CB 4.04Å; W126-V149 HydrophobicContact CZ2-CG1 4.01Å; A146-V149 HydrophobicContact CB-CG1 4.16Å; A146-V149 HydrophobicContact CB-CG2 3.73Å; A147-V149 PolarHBondContact O-N 3.11Å; A147-V149 VanDerWaalsContact O-N 3.09Å; V149-H153 PolarHBondContact O-NE2 3.06Å; V149-H153 VanDerWaalsContact O-NE2 3.13Å; V149-L159 HydrophobicContact CB-CD1 4.35Å; V149-L159 HydrophobicContact CB-CD2 4.02Å; V149-L159 HydrophobicContact CG2-CD1 4.21Å; V149-L159 HydrophobicContact CG2-CD2 3.73Å; V149-M163 HydrophobicContact CG2-CE 4.09Å; V149-N179 PolarHBondContact N-OD1 2.92Å
150	V	94.3	Very high	95.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.225	C	C	.	.			trans	-103.5	107.2	175.8	176.8	0	0	0	0	108.7	D148 L156 L159 W177 N179 D186 F189	D148-V150 PolarHBondContact O-N 3.45Å; V150-L156 HydrophobicContact CB-CD2 4.27Å; V150-L156 HydrophobicContact CG1-CD2 3.85Å; V150-L156 HydrophobicContact CG2-CD2 4.21Å; V150-L159 HydrophobicContact CG2-CD2 3.79Å; V150-W177 HydrophobicContact CB-CZ2 3.95Å; V150-W177 HydrophobicContact CG2-CH2 4.36Å; V150-W177 HydrophobicContact CG2-CZ2 3.46Å; V150-W177 VanDerWaalsContact CG2-CZ2 3.46Å; V150-N179 WeakPolarHBondContact CB-OD1 3.38Å; V150-N179 PolarHBondContact N-OD1 2.84Å; V150-N179 VanDerWaalsContact N-OD1 3.09Å; V150-N179 PolarHBondContact O-ND2 3.24Å; V150-D186 HydrophobicContact CG1-CB 4.03Å; V150-F189 HydrophobicContact CB-CD1 4.46Å; V150-F189 HydrophobicContact CG1-CB 3.97Å; V150-F189 HydrophobicContact CG1-CD1 4.25Å; V150-F189 HydrophobicContact CG1-CG 4.07Å; V150-F189 HydrophobicContact CG2-CD1 3.43Å; V150-F189 VanDerWaalsContact CG2-CD1 3.43Å; V150-F189 HydrophobicContact CG2-CD2 4.19Å; V150-F189 HydrophobicContact CG2-CE1 3.46Å; V150-F189 VanDerWaalsContact CG2-CE1 3.46Å; V150-F189 HydrophobicContact CG2-CE2 4.2Å; V150-F189 HydrophobicContact CG2-CG 3.8Å; V150-F189 HydrophobicContact CG2-CZ 3.86Å
151	Y	87.7	Confident	95.3	Very high	92 Å²	92	46 Å²	46	36%	0.361	22%	0.221	S	C	.	.	S	Bend	trans	-148.8	-168.7	175.5	64.2	-83.3	0	0	0	109.6	H153	Y151-H153 AromaticContact CD1-CD2 3.53Å; Y151-H153 AromaticContact CD1-NE2 3.88Å; Y151-H153 AromaticContact CD2-CD2 3.73Å; Y151-H153 AromaticContact CE1-CD2 3.42Å; Y151-H153 VanDerWaalsContact CE1-CD2 3.42Å; Y151-H153 WeakPolarHBondContact CE1-CD2 3.37Å; Y151-H153 AromaticContact CE1-NE2 3.83Å; Y151-H153 HydrophobicContact CE2-CB 4.05Å; Y151-H153 AromaticContact CE2-CD2 3.63Å; Y151-H153 AromaticContact CG-CD2 3.68Å; Y151-H153 AromaticContact CZ-CD2 3.47Å; Y151-H153 VanDerWaalsContact CZ-CD2 3.47Å; Y151-H153 PolarHBondContact O-CD2 3.16Å; Y151-H153 VanDerWaalsContact O-CD2 3.22Å; Y151-H153 PolarHBondContact O-N 3.49Å
152	H	84.4	Confident	95.3	Very high	149 Å²	149	45.3 Å²	45.3	69%	0.69	22%	0.218	S	C	*	.	S	Bend	trans	-72.4	91.9	179.2	-168.3	-20.5	0	0	0	111.7
153	H	86.9	Confident	95.3	Very high	26 Å²	26	43.3 Å²	43.3	12%	0.12	21%	0.207	C	C	.	.	S	Bend	trans	-152.5	165	168.4	61.7	88.6	0	0	0	110.4	W126 V149 Y151 F155 L156	W126-H153 AromaticContact CZ3-CE1 3.53Å; W126-H153 AromaticContact CZ3-NE2 3.95Å; V149-H153 PolarHBondContact O-NE2 3.06Å; V149-H153 VanDerWaalsContact O-NE2 3.13Å; Y151-H153 AromaticContact CD1-CD2 3.53Å; Y151-H153 AromaticContact CD1-NE2 3.88Å; Y151-H153 AromaticContact CD2-CD2 3.73Å; Y151-H153 AromaticContact CE1-CD2 3.42Å; Y151-H153 VanDerWaalsContact CE1-CD2 3.42Å; Y151-H153 WeakPolarHBondContact CE1-CD2 3.37Å; Y151-H153 AromaticContact CE1-NE2 3.83Å; Y151-H153 HydrophobicContact CE2-CB 4.05Å; Y151-H153 AromaticContact CE2-CD2 3.63Å; Y151-H153 AromaticContact CG-CD2 3.68Å; Y151-H153 AromaticContact CZ-CD2 3.47Å; Y151-H153 VanDerWaalsContact CZ-CD2 3.47Å; Y151-H153 PolarHBondContact O-CD2 3.16Å; Y151-H153 VanDerWaalsContact O-CD2 3.22Å; Y151-H153 PolarHBondContact O-N 3.49Å; H153-F155 VanDerWaalsContact C-N 3.33Å; H153-F155 PolarHBondContact ND1-N 3.12Å; H153-F155 VanDerWaalsContact ND1-N 3.16Å; H153-F155 PolarHBondContact O-N 3.41Å; H153-L156 VanDerWaalsContact CE1-CD2 3.48Å; H153-L156 WeakPolarHBondContact CE1-CD2 3.49Å; H153-L156 WeakPolarHBondContact NE2-CD2 3.36Å
154	D	89.8	Confident	95.2	Very high	143 Å²	143	44.8 Å²	44.8	77%	0.765	22%	0.217	S	C	*	.	S	Bend	trans	-84.2	-7.3	-174.2	-60.6	-39.7	0	0	0	113.8	L156	D154-L156 PolarHBondContact O-N 2.85Å
155	F	94.1	Very high	95.2	Very high	111 Å²	111	45.7 Å²	45.7	49%	0.487	22%	0.221	S	C	.	.			trans	-94.2	25.5	-171.3	-53	-74.7	0	0	0	115.6	W126 H153 E158 L159	W126-F155 HydrophobicContact CE3-CB 4.22Å; H153-F155 VanDerWaalsContact C-N 3.33Å; H153-F155 PolarHBondContact ND1-N 3.12Å; H153-F155 VanDerWaalsContact ND1-N 3.16Å; H153-F155 PolarHBondContact O-N 3.41Å; F155-E158 WeakPolarHBondContact CA-OE2 3.46Å; F155-E158 HydrophobicContact CB-CB 4.47Å; F155-L159 WeakPolarHBondContact O-CB 3.24Å; F155-L159 PolarHBondContact O-N 3.04Å
156	L	95.4	Very high	95.1	Very high	32 Å²	32	46.1 Å²	46.1	17%	0.168	22%	0.223	C	C	.	.	H	α-helix	trans	-70	-33.2	-176.9	-72.5	178.3	0	0	0	112.4	V150 H153 D154 L160 F189	V150-L156 HydrophobicContact CB-CD2 4.27Å; V150-L156 HydrophobicContact CG1-CD2 3.85Å; V150-L156 HydrophobicContact CG2-CD2 4.21Å; H153-L156 VanDerWaalsContact CE1-CD2 3.48Å; H153-L156 WeakPolarHBondContact CE1-CD2 3.49Å; H153-L156 WeakPolarHBondContact NE2-CD2 3.36Å; D154-L156 PolarHBondContact O-N 2.85Å; L156-L160 PolarHBondContact O-N 3.24Å; L156-L160 VanDerWaalsContact O-N 3.16Å; L156-F189 HydrophobicContact CB-CD2 4.02Å; L156-F189 HydrophobicContact CD2-CD2 3.97Å; L156-F189 HydrophobicContact CD2-CE2 4.45Å; L156-F189 HydrophobicContact CG-CD2 4.47Å; L156-F189 VanDerWaalsContact O-CE2 3.29Å; L156-F189 WeakPolarHBondContact O-CE2 2.81Å
157	E	96.6	Very high	95.1	Very high	143 Å²	143	46.2 Å²	46.2	67%	0.668	22%	0.223	S	C	*	.	H	α-helix	trans	-69	-44.2	176.1	-174.7	175.8	165.8	0	0	110.9	L159 L160 N161	E157-L159 VanDerWaalsContact C-N 3.31Å; E157-L159 PolarHBondContact O-N 2.95Å; E157-L160 PolarHBondContact O-N 3.22Å; E157-L160 VanDerWaalsContact O-N 3.16Å; E157-N161 PolarHBondContact O-N 2.97Å; E157-N161 PolarHBondContact O-ND2 3.13Å
158	E	98.1	Very high	94.9	Very high	65 Å²	65	48.5 Å²	48.5	30%	0.304	23%	0.23	S	C	.	.	H	α-helix	trans	-62.2	-38.7	176.6	-68.2	84.2	170	0	0	111.9	W126 G127 F155 N161 T162	W126-E158 HydrophobicContact CB-CB 4.03Å; G127-E158 PolarHBondContact N-O 3.26Å; F155-E158 WeakPolarHBondContact CA-OE2 3.46Å; F155-E158 HydrophobicContact CB-CB 4.47Å; E158-N161 PolarHBondContact O-N 2.67Å; E158-T162 WeakPolarHBondContact O-CB 3.23Å; E158-T162 PolarHBondContact O-N 2.77Å; E158-T162 PolarHBondContact O-OG1 2.94Å
159	L	98.4	Very high	94.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-49.1	172.2	175.3	62.7	0	0	0	111	W126 V149 V150 F155 E157 N161 T162 M163 F189	W126-L159 HydrophobicContact CD2-CB 4.11Å; W126-L159 HydrophobicContact CD2-CD1 3.8Å; W126-L159 HydrophobicContact CE3-CB 3.9Å; W126-L159 HydrophobicContact CE3-CD1 4.21Å; W126-L159 HydrophobicContact CG-CB 4.45Å; W126-L159 HydrophobicContact CG-CD1 4.19Å; W126-L159 HydrophobicContact CH2-CD1 4.38Å; W126-L159 HydrophobicContact CZ2-CD1 3.99Å; W126-L159 HydrophobicContact CZ3-CB 4.42Å; W126-L159 HydrophobicContact CZ3-CD1 4.49Å; V149-L159 HydrophobicContact CB-CD1 4.35Å; V149-L159 HydrophobicContact CB-CD2 4.02Å; V149-L159 HydrophobicContact CG2-CD1 4.21Å; V149-L159 HydrophobicContact CG2-CD2 3.73Å; V150-L159 HydrophobicContact CG2-CD2 3.79Å; F155-L159 WeakPolarHBondContact O-CB 3.24Å; F155-L159 PolarHBondContact O-N 3.04Å; E157-L159 VanDerWaalsContact C-N 3.31Å; E157-L159 PolarHBondContact O-N 2.95Å; L159-N161 VanDerWaalsContact C-N 3.33Å; L159-N161 PolarHBondContact O-N 3.34Å; L159-T162 WeakPolarHBondContact O-CB 3.4Å; L159-T162 PolarHBondContact O-N 3.27Å; L159-T162 VanDerWaalsContact O-N 3.15Å; L159-M163 HydrophobicContact CD1-CE 4Å; L159-M163 HydrophobicContact CD2-CE 4.36Å; L159-M163 HydrophobicContact CG-CE 4.12Å; L159-M163 WeakPolarHBondContact O-CG 3.4Å; L159-M163 PolarHBondContact O-N 3.34Å; L159-F189 HydrophobicContact CB-CE2 4.35Å; L159-F189 HydrophobicContact CD2-CE2 3.9Å; L159-F189 HydrophobicContact CD2-CZ 3.79Å; L159-F189 HydrophobicContact CG-CE2 4.16Å; L159-F189 HydrophobicContact CG-CZ 4.05Å
160	L	98.2	Very high	94.8	Very high	22 Å²	22	59.2 Å²	59.2	12%	0.115	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-41.9	178.7	-175.6	63.8	0	0	0	111.6	L156 E157 T162 M163 L164 F189 C192 F193 F197	L156-L160 PolarHBondContact O-N 3.24Å; L156-L160 VanDerWaalsContact O-N 3.16Å; E157-L160 PolarHBondContact O-N 3.22Å; E157-L160 VanDerWaalsContact O-N 3.16Å; L160-T162 VanDerWaalsContact C-N 3.29Å; L160-T162 PolarHBondContact O-N 3.39Å; L160-M163 WeakPolarHBondContact O-CB 3.44Å; L160-M163 PolarHBondContact O-N 3.43Å; L160-L164 HydrophobicContact CG-CD1 4.35Å; L160-L164 WeakPolarHBondContact O-CG 3.29Å; L160-L164 PolarHBondContact O-N 2.95Å; L160-F189 HydrophobicContact CB-CE2 4.02Å; L160-F189 HydrophobicContact CB-CZ 4.43Å; L160-F189 HydrophobicContact CD1-CZ 4.48Å; L160-C192 HydrophobicContact CD2-CB 3.96Å; L160-F193 HydrophobicContact CD1-CD2 4.42Å; L160-F197 HydrophobicContact CD1-CE2 3.81Å
161	N	98	Very high	94.8	Very high	74 Å²	74	59.4 Å²	59.4	40%	0.396	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-38.6	175	-71.6	-26.1	0	0	0	111.9	E157 E158 L159 L164 H165	E157-N161 PolarHBondContact O-N 2.97Å; E157-N161 PolarHBondContact O-ND2 3.13Å; E158-N161 PolarHBondContact O-N 2.67Å; L159-N161 VanDerWaalsContact C-N 3.33Å; L159-N161 PolarHBondContact O-N 3.34Å; N161-L164 PolarHBondContact O-N 3.43Å; N161-H165 WeakPolarHBondContact O-CB 3.44Å; N161-H165 PolarHBondContact O-N 3.2Å
162	T	98.6	Very high	95.1	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.6	-44.4	174.5	-52.6	0	0	0	0	111.5	L73 L124 W126 G127 L130 E158 L159 L160 L164 H165 F166	L73-T162 HydrophobicContact CD1-CG2 4.03Å; L73-T162 HydrophobicContact CD2-CG2 3.89Å; L124-T162 HydrophobicContact CD2-CG2 3.84Å; W126-T162 VanDerWaalsContact CA-OG1 3.28Å; W126-T162 WeakPolarHBondContact CA-OG1 3.49Å; W126-T162 WeakPolarHBondContact CB-OG1 3.22Å; G127-T162 PolarHBondContact N-OG1 3.01Å; L130-T162 HydrophobicContact CD1-CG2 4.26Å; L130-T162 HydrophobicContact CD2-CG2 4.18Å; E158-T162 WeakPolarHBondContact O-CB 3.23Å; E158-T162 PolarHBondContact O-N 2.77Å; E158-T162 PolarHBondContact O-OG1 2.94Å; L159-T162 WeakPolarHBondContact O-CB 3.4Å; L159-T162 PolarHBondContact O-N 3.27Å; L159-T162 VanDerWaalsContact O-N 3.15Å; L160-T162 VanDerWaalsContact C-N 3.29Å; L160-T162 PolarHBondContact O-N 3.39Å; T162-L164 VanDerWaalsContact C-N 3.3Å; T162-L164 PolarHBondContact O-N 3.42Å; T162-H165 WeakPolarHBondContact O-CB 3.47Å; T162-H165 PolarHBondContact O-N 3.11Å; T162-F166 HydrophobicContact CG2-CD2 4.01Å; T162-F166 HydrophobicContact CG2-CE2 3.76Å; T162-F166 VanDerWaalsContact O-CD2 3.26Å; T162-F166 WeakPolarHBondContact O-CD2 3.48Å; T162-F166 PolarHBondContact O-N 3.28Å
163	M	98.6	Very high	95.8	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-41.6	174.9	-68.5	-173.5	172	0	0	111.4	L73 A146 V149 L159 L160 C167 L175 W177 F189 F193 F197	L73-M163 HydrophobicContact CD1-CG 4.12Å; A146-M163 HydrophobicContact CB-CE 3.91Å; V149-M163 HydrophobicContact CG2-CE 4.09Å; L159-M163 HydrophobicContact CD1-CE 4Å; L159-M163 HydrophobicContact CD2-CE 4.36Å; L159-M163 HydrophobicContact CG-CE 4.12Å; L159-M163 WeakPolarHBondContact O-CG 3.4Å; L159-M163 PolarHBondContact O-N 3.34Å; L160-M163 WeakPolarHBondContact O-CB 3.44Å; L160-M163 PolarHBondContact O-N 3.43Å; M163-C167 WeakPolarHBondContact O-CB 3.44Å; M163-C167 PolarHBondContact O-N 3.49Å; M163-L175 HydrophobicContact CB-CD1 3.64Å; M163-L175 HydrophobicContact CG-CD1 3.7Å; M163-L175 HydrophobicContact SD-CD1 3.97Å; M163-L175 HydrophobicContact SD-CD2 4.48Å; M163-W177 HydrophobicContact CE-CG 4.37Å; M163-F189 HydrophobicContact CE-CZ 4.37Å; M163-F189 HydrophobicContact SD-CZ 4.13Å; M163-F193 HydrophobicContact SD-CD2 3.84Å; M163-F193 HydrophobicContact SD-CE2 3.67Å; M163-F197 HydrophobicContact CB-CE2 4.2Å; M163-F197 HydrophobicContact CB-CZ 3.85Å
164	L	97.6	Very high	96.3	Very high	61 Å²	61	50.9 Å²	50.9	32%	0.319	28%	0.276	S	S	.	.	H	α-helix	trans	-65.6	-39.1	176.4	-78.1	166.6	0	0	0	112.3	L160 N161 T162 F166 C167 R168 F197	L160-L164 HydrophobicContact CG-CD1 4.35Å; L160-L164 WeakPolarHBondContact O-CG 3.29Å; L160-L164 PolarHBondContact O-N 2.95Å; N161-L164 PolarHBondContact O-N 3.43Å; T162-L164 VanDerWaalsContact C-N 3.3Å; T162-L164 PolarHBondContact O-N 3.42Å; L164-F166 PolarHBondContact O-N 3.42Å; L164-C167 CarbonylContact O-C 3.58Å; L164-R168 WeakPolarHBondContact O-CA 3.49Å; L164-R168 WeakPolarHBondContact O-CB 3.41Å; L164-R168 PolarHBondContact O-N 2.94Å; L164-R168 VanDerWaalsContact O-N 3.13Å; L164-F197 HydrophobicContact CB-CZ 4.44Å; L164-F197 HydrophobicContact CD2-CE1 3.7Å; L164-F197 HydrophobicContact CD2-CE2 4.43Å; L164-F197 HydrophobicContact CD2-CZ 3.65Å; L164-F197 HydrophobicContact CG-CE1 4.26Å; L164-F197 HydrophobicContact CG-CE2 4.48Å; L164-F197 HydrophobicContact CG-CZ 3.74Å
165	H	97.7	Very high	96.7	Very high	19 Å²	19	44 Å²	44	9%	0.088	24%	0.239	C	C	.	.	H	α-helix	trans	-57.2	-48.3	176.9	178.5	93.9	0	0	0	111.5	L130 E131 F134 N161 T162 R168	L130-H165 VanDerWaalsContact C-CE1 3.42Å; L130-H165 WeakPolarHBondContact CB-ND1 3.39Å; L130-H165 HydrophobicContact CD1-CB 3.76Å; L130-H165 PolarHBondContact O-CE1 3.32Å; L130-H165 PolarHBondContact O-NE2 2.92Å; E131-H165 IonicContact OE1-CE1 3.62Å; E131-H165 IonicContact OE1-ND1 3.56Å; E131-H165 IonicContact OE2-CE1 3.67Å; F134-H165 PolarHBondContact O-NE2 3.23Å; N161-H165 WeakPolarHBondContact O-CB 3.44Å; N161-H165 PolarHBondContact O-N 3.2Å; T162-H165 WeakPolarHBondContact O-CB 3.47Å; T162-H165 PolarHBondContact O-N 3.11Å; H165-R168 PolarHBondContact CE1-NH2 3.07Å; H165-R168 VanDerWaalsContact CG-NH2 3.27Å; H165-R168 PolarHBondContact ND1-NH2 3.44Å; H165-R168 PolarHBondContact O-NE 3.36Å; H165-R168 PolarHBondContact O-NH2 2.91Å
166	F	98.1	Very high	97	Very high	9 Å²	9	38.8 Å²	38.8	4%	0.039	22%	0.216	C	C	.	.	H	α-helix	trans	-83.9	-31.1	-178.2	-66.3	-70	0	0	0	113.4	L71 L73 L124 F134 Y141 V144 T162 L164 R168 S171 T173	L71-F166 HydrophobicContact CD2-CB 4.42Å; L71-F166 HydrophobicContact CD2-CD1 3.65Å; L71-F166 HydrophobicContact CD2-CD2 3.51Å; L71-F166 HydrophobicContact CD2-CE1 3.65Å; L71-F166 HydrophobicContact CD2-CE2 3.53Å; L71-F166 HydrophobicContact CD2-CG 3.58Å; L71-F166 HydrophobicContact CD2-CZ 3.59Å; L73-F166 HydrophobicContact CD2-CD2 4.33Å; L73-F166 HydrophobicContact CD2-CE2 4.17Å; L124-F166 HydrophobicContact CD1-CE2 3.83Å; L124-F166 HydrophobicContact CD1-CZ 3.89Å; F134-F166 HydrophobicContact CB-CE1 3.74Å; F134-F166 HydrophobicContact CB-CZ 3.73Å; F134-F166 HydrophobicContact CD1-CE1 4.39Å; F134-F166 HydrophobicContact CD1-CZ 4.27Å; F134-F166 HydrophobicContact CD2-CZ 4.31Å; F134-F166 HydrophobicContact CG-CE1 4.18Å; F134-F166 AromaticContact CG-CZ 3.85Å; F134-F166 HydrophobicContact CG-CZ 3.85Å; Y141-F166 AromaticContact CD2-CD1 3.88Å; Y141-F166 HydrophobicContact CD2-CD1 3.88Å; Y141-F166 HydrophobicContact CD2-CE1 4.25Å; Y141-F166 AromaticContact CE2-CD1 3.96Å; Y141-F166 HydrophobicContact CE2-CD1 3.96Å; Y141-F166 AromaticContact CE2-CE1 3.83Å; Y141-F166 HydrophobicContact CE2-CE1 3.83Å; V144-F166 HydrophobicContact CG2-CB 3.62Å; V144-F166 HydrophobicContact CG2-CG 4.45Å; T162-F166 HydrophobicContact CG2-CD2 4.01Å; T162-F166 HydrophobicContact CG2-CE2 3.76Å; T162-F166 VanDerWaalsContact O-CD2 3.26Å; T162-F166 WeakPolarHBondContact O-CD2 3.48Å; T162-F166 PolarHBondContact O-N 3.28Å; L164-F166 PolarHBondContact O-N 3.42Å; F166-R168 PolarHBondContact O-N 3.45Å; F166-S171 PolarHBondContact O-OG 2.92Å; F166-T173 PolarHBondContact O-OG1 2.81Å
167	C	97.1	Very high	97.1	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.014	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	46.3	176.4	-163.1	0	0	0	0	111.2	M163 L164 L175 F197 A217	M163-C167 WeakPolarHBondContact O-CB 3.44Å; M163-C167 PolarHBondContact O-N 3.49Å; L164-C167 CarbonylContact O-C 3.58Å; C167-L175 HydrophobicContact CB-CB 4.46Å; C167-L175 HydrophobicContact CB-CD1 4.42Å; C167-F197 HydrophobicContact CB-CD1 4.46Å; C167-F197 HydrophobicContact CB-CE1 3.81Å; C167-A217 WeakPolarHBondContact O-CB 3.44Å
168	R	94.4	Very high	97.2	Very high	59 Å²	59	30.4 Å²	30.4	22%	0.223	18%	0.176	C	C	.	.			trans	-80.9	163.2	-179.9	70.3	176.5	67.6	-164.5	-5.8	112.6	E131 F136 L164 H165 F166 G170 S171	E131-R168 IonicContact OE1-CZ 3.32Å; E131-R168 VanDerWaalsContact OE1-CZ 3.29Å; E131-R168 IonicContact OE1-NH1 2.85Å; E131-R168 PolarHBondContact OE1-NH1 2.95Å; E131-R168 IonicContact OE1-NH2 2.77Å; E131-R168 PolarHBondContact OE1-NH2 2.95Å; E131-R168 IonicContact OE2-NH1 3.85Å; E131-R168 IonicContact OE2-NH2 2.81Å; F136-R168 HydrophobicContact CD2-CG 4.41Å; L164-R168 WeakPolarHBondContact O-CA 3.49Å; L164-R168 WeakPolarHBondContact O-CB 3.41Å; L164-R168 PolarHBondContact O-N 2.94Å; L164-R168 VanDerWaalsContact O-N 3.13Å; H165-R168 PolarHBondContact CE1-NH2 3.07Å; H165-R168 VanDerWaalsContact CG-NH2 3.27Å; H165-R168 PolarHBondContact ND1-NH2 3.44Å; H165-R168 PolarHBondContact O-NE 3.36Å; H165-R168 PolarHBondContact O-NH2 2.91Å; F166-R168 PolarHBondContact O-N 3.45Å; R168-G170 PolarHBondContact O-N 3.04Å; R168-S171 VanDerWaalsContact O-CB 3.3Å; R168-S171 WeakPolarHBondContact O-CB 2.99Å; R168-S171 PolarHBondContact O-N 3.42Å; R168-S171 VanDerWaalsContact O-N 3.08Å; R168-S171 PolarHBondContact O-OG 3.04Å
169	R	94.1	Very high	97.1	Very high	162 Å²	162	27.4 Å²	27.4	61%	0.611	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	135.2	175.7	-68.7	177.1	71.6	137	2.5	111.4	S171 A217 K218 E219	R169-S171 PolarHBondContact O-N 2.82Å; R169-A217 HydrophobicContact CG-CB 4.21Å; R169-K218 WeakPolarHBondContact CD-O 3.22Å; R169-K218 WeakPolarHBondContact CG-O 3.24Å; R169-K218 PolarHBondContact NE-O 3.48Å; R169-E219 PolarHBondContact NH1-O 3.44Å; R169-E219 PolarHBondContact NH1-OXT 2.86Å; R169-E219 VanDerWaalsContact NH2-C 3.32Å; R169-E219 PolarHBondContact NH2-OXT 3.02Å
170	G	91.9	Very high	96.8	Very high	75 Å²	75	29.8 Å²	29.8	77%	0.773	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	-4.6	-178.4	0	0	0	0	0	115	R168 G172	R168-G170 PolarHBondContact O-N 3.04Å; G170-G172 VanDerWaalsContact C-N 3.33Å
171	S	94.3	Very high	96.4	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.021	18%	0.178	C	C	.	.	S	Bend	trans	-72.7	-28.2	175.8	78.5	0	0	0	0	112.3	R140 F166 R168 R169 T173	R140-S171 PolarHBondContact NE-O 3.03Å; R140-S171 PolarHBondContact NH2-O 3.12Å; F166-S171 PolarHBondContact O-OG 2.92Å; R168-S171 VanDerWaalsContact O-CB 3.3Å; R168-S171 WeakPolarHBondContact O-CB 2.99Å; R168-S171 PolarHBondContact O-N 3.42Å; R168-S171 VanDerWaalsContact O-N 3.08Å; R168-S171 PolarHBondContact O-OG 3.04Å; R169-S171 PolarHBondContact O-N 2.82Å; S171-T173 WeakPolarHBondContact CB-OG1 3.44Å; S171-T173 PolarHBondContact O-N 3.28Å; S171-T173 VanDerWaalsContact OG-CB 3.22Å; S171-T173 WeakPolarHBondContact OG-CB 3.32Å; S171-T173 PolarHBondContact OG-N 3.43Å; S171-T173 VanDerWaalsContact OG-N 3.13Å; S171-T173 PolarHBondContact OG-OG1 3.1Å
172	G	95.3	Very high	95.9	Very high	63 Å²	63	31 Å²	31	65%	0.649	17%	0.173	S	C	*	.			trans	65.3	14.1	-172.7	0	0	0	0	0	113.6	G170	G170-G172 VanDerWaalsContact C-N 3.33Å
173	T	98	Very high	95.3	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	20%	0.196	C	C	.	.			trans	-73.5	140	-179.8	-56.1	0	0	0	0	111	Y141 D142 V144 F166 S171	Y141-T173 WeakPolarHBondContact O-CB 3.29Å; Y141-T173 WeakPolarHBondContact O-CG2 3.48Å; Y141-T173 PolarHBondContact O-OG1 3.22Å; D142-T173 WeakPolarHBondContact O-CA 3.25Å; V144-T173 HydrophobicContact CB-CG2 4.36Å; V144-T173 HydrophobicContact CG2-CG2 3.65Å; F166-T173 PolarHBondContact O-OG1 2.81Å; S171-T173 WeakPolarHBondContact CB-OG1 3.44Å; S171-T173 PolarHBondContact O-N 3.28Å; S171-T173 VanDerWaalsContact OG-CB 3.22Å; S171-T173 WeakPolarHBondContact OG-CB 3.32Å; S171-T173 PolarHBondContact OG-N 3.43Å; S171-T173 VanDerWaalsContact OG-N 3.13Å; S171-T173 PolarHBondContact OG-OG1 3.1Å
174	T	98.5	Very high	94.7	Very high	22 Å²	22	41.9 Å²	41.9	14%	0.135	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.5	167.4	-64.5	0	0	0	0	109.8	D142 Y143 V144 L176 K214	D142-T174 PolarHBondContact O-N 3.47Å; Y143-T174 CarbonylContact C-O 3.38Å; Y143-T174 WeakPolarHBondContact CA-O 3.19Å; Y143-T174 HydrophobicContact CD1-CG2 4.03Å; Y143-T174 HydrophobicContact CE1-CG2 3.93Å; V144-T174 PolarHBondContact N-O 3.5Å; T174-L176 HydrophobicContact CG2-CD2 4.2Å; T174-K214 HydrophobicContact CG2-CD 4.26Å; T174-K214 HydrophobicContact CG2-CG 3.77Å
175	L	98.8	Very high	94.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.4	174.3	-170.7	157.8	0	0	0	110	V144 M163 C167 W177 F193 K214 A215	V144-L175 HydrophobicContact CB-CB 4.33Å; V144-L175 HydrophobicContact CB-CD1 4.34Å; V144-L175 HydrophobicContact CB-CG 4.08Å; V144-L175 HydrophobicContact CG1-CD1 4.03Å; V144-L175 HydrophobicContact CG1-CG 4.05Å; V144-L175 CarbonylContact O-C 3.54Å; V144-L175 VanDerWaalsContact O-CA 3.28Å; V144-L175 WeakPolarHBondContact O-CA 3.42Å; M163-L175 HydrophobicContact CB-CD1 3.64Å; M163-L175 HydrophobicContact CG-CD1 3.7Å; M163-L175 HydrophobicContact SD-CD1 3.97Å; M163-L175 HydrophobicContact SD-CD2 4.48Å; C167-L175 HydrophobicContact CB-CB 4.46Å; C167-L175 HydrophobicContact CB-CD1 4.42Å; L175-W177 HydrophobicContact CD2-CB 3.7Å; L175-F193 HydrophobicContact CD2-CE2 3.81Å; L175-F193 HydrophobicContact CD2-CZ 3.8Å; L175-K214 CarbonylContact O-C 3.44Å; L175-K214 WeakPolarHBondContact O-CA 3.37Å; L175-A215 HydrophobicContact CB-CB 4.21Å; L175-A215 PolarHBondContact N-O 2.99Å; L175-A215 PolarHBondContact O-N 3.12Å
176	L	98.8	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.8	170.5	-58.5	179.3	0	0	0	109.3	L52 L56 M63 Y143 V144 L145 A146 T174 L202 Y213 K214	L52-L176 HydrophobicContact CD1-CB 4.28Å; L52-L176 HydrophobicContact CD2-CB 4.46Å; L56-L176 HydrophobicContact CD2-CD1 3.84Å; M63-L176 HydrophobicContact CE-CD2 3.87Å; M63-L176 HydrophobicContact SD-CD1 4.42Å; M63-L176 HydrophobicContact SD-CD2 4.38Å; Y143-L176 HydrophobicContact CD1-CD1 4.43Å; V144-L176 PolarHBondContact O-N 3.41Å; L145-L176 WeakPolarHBondContact CA-O 3.43Å; L145-L176 HydrophobicContact CD2-CB 3.86Å; L145-L176 HydrophobicContact CD2-CD1 3.94Å; L145-L176 HydrophobicContact CD2-CG 4.21Å; A146-L176 PolarHBondContact N-O 2.73Å; T174-L176 HydrophobicContact CG2-CD2 4.2Å; L176-L202 HydrophobicContact CD2-CD1 3.88Å; L176-Y213 WeakPolarHBondContact CA-O 3.45Å; L176-K214 HydrophobicContact CD2-CB 4.05Å; L176-K214 HydrophobicContact CD2-CG 4.15Å
177	W	98.6	Very high	93.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.9	-178.3	170.4	45.6	0	0	0	110.7	A146 V150 M163 L175 N179 F189 F193 I212 Y213	A146-W177 VanDerWaalsContact O-CA 3.3Å; A146-W177 WeakPolarHBondContact O-CA 3.44Å; V150-W177 HydrophobicContact CB-CZ2 3.95Å; V150-W177 HydrophobicContact CG2-CH2 4.36Å; V150-W177 HydrophobicContact CG2-CZ2 3.46Å; V150-W177 VanDerWaalsContact CG2-CZ2 3.46Å; M163-W177 HydrophobicContact CE-CG 4.37Å; L175-W177 HydrophobicContact CD2-CB 3.7Å; W177-N179 HydrophobicContact CZ2-CB 3.56Å; W177-N179 PolarHBondContact NE1-OD1 3.24Å; W177-F189 HydrophobicContact CE3-CE1 4.49Å; W177-F189 AromaticContact CH2-CD1 3.54Å; W177-F189 HydrophobicContact CH2-CD1 3.54Å; W177-F189 AromaticContact CH2-CE1 3.8Å; W177-F189 HydrophobicContact CH2-CE1 3.8Å; W177-F189 AromaticContact CZ2-CD1 3.85Å; W177-F189 HydrophobicContact CZ2-CD1 3.85Å; W177-F189 AromaticContact CZ2-CE1 3.91Å; W177-F189 HydrophobicContact CZ2-CE1 3.91Å; W177-F189 HydrophobicContact CZ3-CD1 4.14Å; W177-F189 HydrophobicContact CZ3-CE1 4.09Å; W177-F193 HydrophobicContact CB-CZ 4.46Å; W177-F193 AromaticContact CE3-CD1 3.89Å; W177-F193 HydrophobicContact CE3-CD1 3.89Å; W177-F193 HydrophobicContact CE3-CD2 4.03Å; W177-F193 AromaticContact CE3-CE1 3.9Å; W177-F193 HydrophobicContact CE3-CE1 3.9Å; W177-F193 HydrophobicContact CE3-CE2 4.04Å; W177-F193 AromaticContact CE3-CG 3.94Å; W177-F193 HydrophobicContact CE3-CG 3.94Å; W177-F193 AromaticContact CE3-CZ 3.96Å; W177-F193 HydrophobicContact CE3-CZ 3.96Å; W177-F193 HydrophobicContact CZ3-CB 4.15Å; W177-F193 AromaticContact CZ3-CD1 3.92Å; W177-F193 HydrophobicContact CZ3-CD1 3.92Å; W177-F193 HydrophobicContact CZ3-CD2 4.32Å; W177-F193 HydrophobicContact CZ3-CE1 4.37Å; W177-F193 AromaticContact CZ3-CG 3.87Å; W177-F193 HydrophobicContact CZ3-CG 3.87Å; W177-I212 CarbonylContact O-C 3.55Å; W177-I212 WeakPolarHBondContact O-CA 3.25Å; W177-Y213 HydrophobicContact CD2-CD2 4.46Å; W177-Y213 AromaticContact CE3-CD2 3.71Å; W177-Y213 HydrophobicContact CE3-CD2 3.71Å; W177-Y213 HydrophobicContact CE3-CE2 4.42Å; W177-Y213 HydrophobicContact CE3-CG 4.35Å; W177-Y213 AromaticContact CZ3-CD2 3.83Å; W177-Y213 HydrophobicContact CZ3-CD2 3.83Å; W177-Y213 HydrophobicContact CZ3-CE2 4.1Å; W177-Y213 PolarHBondContact N-O 3.03Å; W177-Y213 PolarHBondContact O-N 2.69Å
178	A	97.9	Very high	93.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133	173.8	0	0	0	0	0	110.4	G48 L52 A146 A147 D148 M210 C211 I212	G48-A178 WeakPolarHBondContact O-CB 3.38Å; L52-A178 HydrophobicContact CB-CB 3.84Å; L52-A178 HydrophobicContact CD2-CB 4.05Å; L52-A178 HydrophobicContact CG-CB 4.4Å; A146-A178 PolarHBondContact O-N 3.09Å; A147-A178 CarbonylContact C-O 3.49Å; A147-A178 WeakPolarHBondContact CA-O 3.2Å; D148-A178 PolarHBondContact N-O 2.9Å; A178-M210 HydrophobicContact CB-SD 4.48Å; A178-C211 CarbonylContact C-O 3.55Å; A178-C211 VanDerWaalsContact CA-O 3.28Å; A178-C211 WeakPolarHBondContact CA-O 3.46Å; A178-I212 HydrophobicContact CB-CG1 3.94Å
179	N	95.4	Very high	93.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	138.8	179	-141.8	85.8	0	0	0	111.9	D148 V149 V150 W177 M210 C211	D148-N179 VanDerWaalsContact CA-OD1 3.25Å; D148-N179 WeakPolarHBondContact CA-OD1 3.39Å; V149-N179 PolarHBondContact N-OD1 2.92Å; V150-N179 WeakPolarHBondContact CB-OD1 3.38Å; V150-N179 PolarHBondContact N-OD1 2.84Å; V150-N179 VanDerWaalsContact N-OD1 3.09Å; V150-N179 PolarHBondContact O-ND2 3.24Å; W177-N179 HydrophobicContact CZ2-CB 3.56Å; W177-N179 PolarHBondContact NE1-OD1 3.24Å; N179-M210 VanDerWaalsContact O-SD 3.32Å; N179-C211 PolarHBondContact N-O 3.46Å; N179-C211 PolarHBondContact O-N 3.39Å
180	K	92.9	Very high	93.5	Very high	51 Å²	51	41.8 Å²	41.8	22%	0.222	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.6	164.1	-178.8	159.8	-175.8	156.8	0	109.3	D148 R182 E208 N209 M210	D148-K180 PolarHBondContact OD1-N 3.02Å; K180-R182 HydrophobicContact CG-CG 4.18Å; K180-R182 PolarHBondContact O-N 3.09Å; K180-R182 PolarHBondContact O-NH1 3.06Å; K180-E208 VanDerWaalsContact CD-O 3.28Å; K180-E208 WeakPolarHBondContact CD-O 3.29Å; K180-E208 WeakPolarHBondContact CE-O 3.42Å; K180-E208 WeakPolarHBondContact CG-O 3.37Å; K180-E208 PolarHBondContact NZ-O 3.35Å; K180-E208 IonicContact NZ-OE2 2.86Å; K180-E208 PolarHBondContact NZ-OE2 3.41Å; K180-N209 CarbonylContact C-O 3.48Å; K180-N209 VanDerWaalsContact CA-O 3.32Å; K180-N209 WeakPolarHBondContact CA-O 3.33Å; K180-M210 HydrophobicContact CB-CE 3.68Å
181	L	89.9	Confident	93.8	Very high	41 Å²	41	44.4 Å²	44.4	22%	0.215	22%	0.221	C	C	.	.			trans	-80.3	114.1	175.4	-62	175.4	0	0	0	108.9	D186 N209	L181-D186 HydrophobicContact CD2-CB 3.82Å; L181-N209 HydrophobicContact CB-CB 4.39Å; L181-N209 PolarHBondContact N-O 2.89Å; L181-N209 WeakPolarHBondContact O-CB 3.03Å
182	R	87.1	Confident	93.9	Very high	80 Å²	80	47.3 Å²	47.3	30%	0.302	24%	0.24	S	C	.	.			trans	-114.3	-38.6	-176	-61.1	172.7	-178.7	84.5	-4.2	111.3	D148 K180 D186	D148-R182 IonicContact OD1-CZ 3.47Å; D148-R182 IonicContact OD1-NH1 2.84Å; D148-R182 PolarHBondContact OD1-NH1 3.26Å; D148-R182 IonicContact OD1-NH2 3.13Å; D148-R182 PolarHBondContact OD1-NH2 2.92Å; D148-R182 VanDerWaalsContact OD1-NH2 3.13Å; D148-R182 IonicContact OD2-NH2 3.47Å; D148-R182 PolarHBondContact OD2-NH2 3.46Å; K180-R182 HydrophobicContact CG-CG 4.18Å; K180-R182 PolarHBondContact O-N 3.09Å; K180-R182 PolarHBondContact O-NH1 3.06Å; R182-D186 WeakPolarHBondContact CA-OD2 3.44Å; R182-D186 PolarHBondContact N-OD2 3.13Å
183	F	87.1	Confident	94	Very high	108 Å²	108	44.3 Å²	44.3	47%	0.474	21%	0.209	S	C	.	.	S	Bend	trans	-133.4	166.3	-171.5	-54.9	-69.5	0	0	0	113	S185 D186	F183-S185 WeakPolarHBondContact CB-OG 3.35Å; F183-S185 PolarHBondContact O-N 2.98Å; F183-D186 PolarHBondContact N-OD2 3.16Å; F183-D186 WeakPolarHBondContact O-CB 3.48Å; F183-D186 PolarHBondContact O-N 2.84Å; F183-D186 VanDerWaalsContact O-N 3.11Å
184	Q	85.6	Confident	94	Very high	121 Å²	121	48.8 Å²	48.8	57%	0.565	23%	0.228	S	C	*	.	H	α-helix	trans	-63	-30.6	175.9	-167.2	-175.2	28.4	0	0	112.3	D186 Q187 R188	Q184-D186 PolarHBondContact O-N 2.87Å; Q184-Q187 WeakPolarHBondContact O-CB 3.47Å; Q184-Q187 PolarHBondContact O-N 3.22Å; Q184-R188 PolarHBondContact O-N 2.94Å
185	S	86.9	Confident	94	Very high	40 Å²	40	51.4 Å²	51.4	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-55.4	-40.1	172.2	45.4	0	0	0	0	112	F183 Q187 R188 F189	F183-S185 WeakPolarHBondContact CB-OG 3.35Å; F183-S185 PolarHBondContact O-N 2.98Å; S185-Q187 VanDerWaalsContact C-N 3.31Å; S185-Q187 PolarHBondContact O-N 3.13Å; S185-R188 PolarHBondContact O-N 3.35Å; S185-F189 PolarHBondContact O-N 3.11Å
186	D	90.2	Very high	93.9	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.1	-35.5	-176.9	-43.2	-9.3	0	0	0	110.3	V150 L181 R182 F183 Q184 T190	V150-D186 HydrophobicContact CG1-CB 4.03Å; L181-D186 HydrophobicContact CD2-CB 3.82Å; R182-D186 WeakPolarHBondContact CA-OD2 3.44Å; R182-D186 PolarHBondContact N-OD2 3.13Å; F183-D186 PolarHBondContact N-OD2 3.16Å; F183-D186 WeakPolarHBondContact O-CB 3.48Å; F183-D186 PolarHBondContact O-N 2.84Å; F183-D186 VanDerWaalsContact O-N 3.11Å; Q184-D186 PolarHBondContact O-N 2.87Å; D186-T190 WeakPolarHBondContact O-CB 3.22Å; D186-T190 PolarHBondContact O-N 3.23Å; D186-T190 PolarHBondContact O-OG1 2.85Å
187	Q	90.7	Very high	93.9	Very high	104 Å²	104	53.1 Å²	53.1	49%	0.486	26%	0.259	S	S	.	.	H	α-helix	trans	-65.4	-46.3	173	-64.6	178.8	-19	0	0	111.2	Q184 S185 F189 T190 E191	Q184-Q187 WeakPolarHBondContact O-CB 3.47Å; Q184-Q187 PolarHBondContact O-N 3.22Å; S185-Q187 VanDerWaalsContact C-N 3.31Å; S185-Q187 PolarHBondContact O-N 3.13Å; Q187-F189 VanDerWaalsContact C-N 3.35Å; Q187-F189 PolarHBondContact O-N 3.45Å; Q187-T190 WeakPolarHBondContact O-CB 3.21Å; Q187-T190 PolarHBondContact O-N 3.47Å; Q187-T190 VanDerWaalsContact O-N 3.11Å; Q187-E191 WeakPolarHBondContact O-CG 3.19Å; Q187-E191 PolarHBondContact O-N 2.79Å
188	R	93.9	Very high	93.9	Very high	148 Å²	148	56.8 Å²	56.8	56%	0.558	28%	0.279	S	S	*	.	H	α-helix	trans	-60.4	-44	176.4	-68	179.3	-172.1	173.7	5.8	111.7	Q184 S185 T190 E191 C192	Q184-R188 PolarHBondContact O-N 2.94Å; S185-R188 PolarHBondContact O-N 3.35Å; R188-T190 VanDerWaalsContact C-N 3.32Å; R188-T190 PolarHBondContact O-N 2.82Å; R188-E191 PolarHBondContact O-N 2.8Å; R188-C192 PolarHBondContact O-N 2.81Å
189	F	96.7	Very high	93.9	Very high	10 Å²	10	58.6 Å²	58.6	4%	0.044	29%	0.29	C	S	.	.	H	α-helix	trans	-60.8	-43.7	174	-177	-82.9	0	0	0	111.1	V150 L156 L159 L160 M163 W177 S185 Q187 E191 C192 F193	V150-F189 HydrophobicContact CB-CD1 4.46Å; V150-F189 HydrophobicContact CG1-CB 3.97Å; V150-F189 HydrophobicContact CG1-CD1 4.25Å; V150-F189 HydrophobicContact CG1-CG 4.07Å; V150-F189 HydrophobicContact CG2-CD1 3.43Å; V150-F189 VanDerWaalsContact CG2-CD1 3.43Å; V150-F189 HydrophobicContact CG2-CD2 4.19Å; V150-F189 HydrophobicContact CG2-CE1 3.46Å; V150-F189 VanDerWaalsContact CG2-CE1 3.46Å; V150-F189 HydrophobicContact CG2-CE2 4.2Å; V150-F189 HydrophobicContact CG2-CG 3.8Å; V150-F189 HydrophobicContact CG2-CZ 3.86Å; L156-F189 HydrophobicContact CB-CD2 4.02Å; L156-F189 HydrophobicContact CD2-CD2 3.97Å; L156-F189 HydrophobicContact CD2-CE2 4.45Å; L156-F189 HydrophobicContact CG-CD2 4.47Å; L156-F189 VanDerWaalsContact O-CE2 3.29Å; L156-F189 WeakPolarHBondContact O-CE2 2.81Å; L159-F189 HydrophobicContact CB-CE2 4.35Å; L159-F189 HydrophobicContact CD2-CE2 3.9Å; L159-F189 HydrophobicContact CD2-CZ 3.79Å; L159-F189 HydrophobicContact CG-CE2 4.16Å; L159-F189 HydrophobicContact CG-CZ 4.05Å; L160-F189 HydrophobicContact CB-CE2 4.02Å; L160-F189 HydrophobicContact CB-CZ 4.43Å; L160-F189 HydrophobicContact CD1-CZ 4.48Å; M163-F189 HydrophobicContact CE-CZ 4.37Å; M163-F189 HydrophobicContact SD-CZ 4.13Å; W177-F189 HydrophobicContact CE3-CE1 4.49Å; W177-F189 AromaticContact CH2-CD1 3.54Å; W177-F189 HydrophobicContact CH2-CD1 3.54Å; W177-F189 AromaticContact CH2-CE1 3.8Å; W177-F189 HydrophobicContact CH2-CE1 3.8Å; W177-F189 AromaticContact CZ2-CD1 3.85Å; W177-F189 HydrophobicContact CZ2-CD1 3.85Å; W177-F189 AromaticContact CZ2-CE1 3.91Å; W177-F189 HydrophobicContact CZ2-CE1 3.91Å; W177-F189 HydrophobicContact CZ3-CD1 4.14Å; W177-F189 HydrophobicContact CZ3-CE1 4.09Å; S185-F189 PolarHBondContact O-N 3.11Å; Q187-F189 VanDerWaalsContact C-N 3.35Å; Q187-F189 PolarHBondContact O-N 3.45Å; F189-E191 VanDerWaalsContact C-N 3.28Å; F189-E191 PolarHBondContact O-N 3.35Å; F189-C192 PolarHBondContact O-N 3.18Å; F189-F193 HydrophobicContact CD1-CB 4.34Å; F189-F193 HydrophobicContact CE1-CB 4.13Å; F189-F193 HydrophobicContact CE1-CD2 4.24Å; F189-F193 VanDerWaalsContact O-CB 3.29Å; F189-F193 WeakPolarHBondContact O-CB 2.96Å; F189-F193 PolarHBondContact O-N 2.9Å
190	T	96.3	Very high	94	Very high	8 Å²	8	62.3 Å²	62.3	5%	0.049	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-39.8	177.3	-58.7	0	0	0	0	111.9	D186 Q187 R188 K194 Y213	D186-T190 WeakPolarHBondContact O-CB 3.22Å; D186-T190 PolarHBondContact O-N 3.23Å; D186-T190 PolarHBondContact O-OG1 2.85Å; Q187-T190 WeakPolarHBondContact O-CB 3.21Å; Q187-T190 PolarHBondContact O-N 3.47Å; Q187-T190 VanDerWaalsContact O-N 3.11Å; R188-T190 VanDerWaalsContact C-N 3.32Å; R188-T190 PolarHBondContact O-N 2.82Å; T190-K194 HydrophobicContact CG2-CD 4.13Å; T190-K194 WeakPolarHBondContact O-CB 3.42Å; T190-K194 VanDerWaalsContact O-CG 3.28Å; T190-K194 WeakPolarHBondContact O-CG 3.18Å; T190-K194 PolarHBondContact O-N 2.85Å; T190-Y213 HydrophobicContact CG2-CE2 4.22Å
191	E	96.5	Very high	94.2	Very high	130 Å²	130	63.5 Å²	63.5	61%	0.607	32%	0.321	S	S	*	.	H	α-helix	trans	-64.9	-47.6	175	-70.6	168.6	-176.2	0	0	111.7	Q187 R188 F189 F193 K194 S195	Q187-E191 WeakPolarHBondContact O-CG 3.19Å; Q187-E191 PolarHBondContact O-N 2.79Å; R188-E191 PolarHBondContact O-N 2.8Å; F189-E191 VanDerWaalsContact C-N 3.28Å; F189-E191 PolarHBondContact O-N 3.35Å; E191-F193 VanDerWaalsContact C-N 3.32Å; E191-F193 PolarHBondContact O-N 3.1Å; E191-K194 PolarHBondContact O-N 2.9Å; E191-S195 WeakPolarHBondContact O-CB 3.22Å; E191-S195 PolarHBondContact O-N 2.99Å; E191-S195 PolarHBondContact O-OG 3.13Å
192	C	97.2	Very high	94.5	Very high	63 Å²	63	64 Å²	64	43%	0.426	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-38.4	175.5	-69.9	0	0	0	0	112.5	L160 R188 F189 S195 S196	L160-C192 HydrophobicContact CD2-CB 3.96Å; R188-C192 PolarHBondContact O-N 2.81Å; F189-C192 PolarHBondContact O-N 3.18Å; C192-S195 WeakPolarHBondContact CA-OG 3.49Å; C192-S195 PolarHBondContact O-N 2.85Å; C192-S195 PolarHBondContact O-OG 2.72Å; C192-S196 VanDerWaalsContact O-CB 3.29Å; C192-S196 WeakPolarHBondContact O-CB 3.36Å; C192-S196 PolarHBondContact O-N 3.22Å; C192-S196 PolarHBondContact O-OG 3.05Å
193	F	98.1	Very high	94.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-48.8	175.1	179.6	-90.5	0	0	0	110.9	L160 M163 L175 W177 F189 E191 S195 S196 F197 T199 A215	L160-F193 HydrophobicContact CD1-CD2 4.42Å; M163-F193 HydrophobicContact SD-CD2 3.84Å; M163-F193 HydrophobicContact SD-CE2 3.67Å; L175-F193 HydrophobicContact CD2-CE2 3.81Å; L175-F193 HydrophobicContact CD2-CZ 3.8Å; W177-F193 HydrophobicContact CB-CZ 4.46Å; W177-F193 AromaticContact CE3-CD1 3.89Å; W177-F193 HydrophobicContact CE3-CD1 3.89Å; W177-F193 HydrophobicContact CE3-CD2 4.03Å; W177-F193 AromaticContact CE3-CE1 3.9Å; W177-F193 HydrophobicContact CE3-CE1 3.9Å; W177-F193 HydrophobicContact CE3-CE2 4.04Å; W177-F193 AromaticContact CE3-CG 3.94Å; W177-F193 HydrophobicContact CE3-CG 3.94Å; W177-F193 AromaticContact CE3-CZ 3.96Å; W177-F193 HydrophobicContact CE3-CZ 3.96Å; W177-F193 HydrophobicContact CZ3-CB 4.15Å; W177-F193 AromaticContact CZ3-CD1 3.92Å; W177-F193 HydrophobicContact CZ3-CD1 3.92Å; W177-F193 HydrophobicContact CZ3-CD2 4.32Å; W177-F193 HydrophobicContact CZ3-CE1 4.37Å; W177-F193 AromaticContact CZ3-CG 3.87Å; W177-F193 HydrophobicContact CZ3-CG 3.87Å; F189-F193 HydrophobicContact CD1-CB 4.34Å; F189-F193 HydrophobicContact CE1-CB 4.13Å; F189-F193 HydrophobicContact CE1-CD2 4.24Å; F189-F193 VanDerWaalsContact O-CB 3.29Å; F189-F193 WeakPolarHBondContact O-CB 2.96Å; F189-F193 PolarHBondContact O-N 2.9Å; E191-F193 VanDerWaalsContact C-N 3.32Å; E191-F193 PolarHBondContact O-N 3.1Å; F193-S195 VanDerWaalsContact C-N 3.29Å; F193-S195 PolarHBondContact O-N 2.97Å; F193-S196 PolarHBondContact O-N 3.48Å; F193-S196 VanDerWaalsContact O-N 3.12Å; F193-F197 HydrophobicContact CD1-CD2 4.49Å; F193-F197 AromaticContact CD2-CD2 3.66Å; F193-F197 HydrophobicContact CD2-CD2 3.66Å; F193-F197 AromaticContact CD2-CE2 3.74Å; F193-F197 HydrophobicContact CD2-CE2 3.74Å; F193-F197 AromaticContact CE2-CD2 3.68Å; F193-F197 HydrophobicContact CE2-CD2 3.68Å; F193-F197 AromaticContact CE2-CE2 3.81Å; F193-F197 HydrophobicContact CE2-CE2 3.81Å; F193-F197 HydrophobicContact CG-CD2 4.1Å; F193-F197 HydrophobicContact CZ-CD2 4.13Å; F193-F197 WeakPolarHBondContact O-CD2 3.41Å; F193-F197 PolarHBondContact O-N 3.23Å; F193-T199 HydrophobicContact CD1-CG2 4.15Å; F193-T199 HydrophobicContact CE1-CG2 3.8Å; F193-A215 HydrophobicContact CE1-CB 3.81Å; F193-A215 HydrophobicContact CE2-CB 4.26Å; F193-A215 HydrophobicContact CZ-CB 3.37Å
194	K	97.4	Very high	95.2	Very high	97 Å²	97	61.9 Å²	61.9	42%	0.422	32%	0.32	S	S	.	.	H	α-helix	trans	-64	-32.3	176.8	-73.4	172.6	-178.9	175.3	0	112.8	T190 E191 S196 F197 T199 Y213	T190-K194 HydrophobicContact CG2-CD 4.13Å; T190-K194 WeakPolarHBondContact O-CB 3.42Å; T190-K194 VanDerWaalsContact O-CG 3.28Å; T190-K194 WeakPolarHBondContact O-CG 3.18Å; T190-K194 PolarHBondContact O-N 2.85Å; E191-K194 PolarHBondContact O-N 2.9Å; K194-S196 VanDerWaalsContact C-N 3.34Å; K194-F197 VanDerWaalsContact O-O 3.1Å; K194-T199 HydrophobicContact CG-CG2 3.94Å; K194-Y213 VanDerWaalsContact CE-CE1 3.46Å; K194-Y213 PolarHBondContact NZ-OH 2.92Å
195	S	97.3	Very high	95.5	Very high	78 Å²	78	56.6 Å²	56.6	55%	0.545	30%	0.296	S	S	.	.	H	α-helix	trans	-75.6	-24.4	175.8	75.5	0	0	0	0	112.5	E191 C192 F193 K218	E191-S195 WeakPolarHBondContact O-CB 3.22Å; E191-S195 PolarHBondContact O-N 2.99Å; E191-S195 PolarHBondContact O-OG 3.13Å; C192-S195 WeakPolarHBondContact CA-OG 3.49Å; C192-S195 PolarHBondContact O-N 2.85Å; C192-S195 PolarHBondContact O-OG 2.72Å; F193-S195 VanDerWaalsContact C-N 3.29Å; F193-S195 PolarHBondContact O-N 2.97Å; S195-K218 WeakPolarHBondContact O-CE 3.08Å; S195-K218 PolarHBondContact O-NZ 3.49Å
196	S	97.7	Very high	95.5	Very high	33 Å²	33	58.4 Å²	58.4	23%	0.231	31%	0.307	C	S	.	.	H	α-helix	trans	-90.1	-30.7	-178.2	-58.7	0	0	0	0	113.6	C192 F193 K194	C192-S196 VanDerWaalsContact O-CB 3.29Å; C192-S196 WeakPolarHBondContact O-CB 3.36Å; C192-S196 PolarHBondContact O-N 3.22Å; C192-S196 PolarHBondContact O-OG 3.05Å; F193-S196 PolarHBondContact O-N 3.48Å; F193-S196 VanDerWaalsContact O-N 3.12Å; K194-S196 VanDerWaalsContact C-N 3.34Å
197	F	98.4	Very high	95.2	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.009	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	156.8	-175	-59.8	-75.9	0	0	0	113.8	L160 M163 L164 C167 F193 K194 T199 A215 K218	L160-F197 HydrophobicContact CD1-CE2 3.81Å; M163-F197 HydrophobicContact CB-CE2 4.2Å; M163-F197 HydrophobicContact CB-CZ 3.85Å; L164-F197 HydrophobicContact CB-CZ 4.44Å; L164-F197 HydrophobicContact CD2-CE1 3.7Å; L164-F197 HydrophobicContact CD2-CE2 4.43Å; L164-F197 HydrophobicContact CD2-CZ 3.65Å; L164-F197 HydrophobicContact CG-CE1 4.26Å; L164-F197 HydrophobicContact CG-CE2 4.48Å; L164-F197 HydrophobicContact CG-CZ 3.74Å; C167-F197 HydrophobicContact CB-CD1 4.46Å; C167-F197 HydrophobicContact CB-CE1 3.81Å; F193-F197 HydrophobicContact CD1-CD2 4.49Å; F193-F197 AromaticContact CD2-CD2 3.66Å; F193-F197 HydrophobicContact CD2-CD2 3.66Å; F193-F197 AromaticContact CD2-CE2 3.74Å; F193-F197 HydrophobicContact CD2-CE2 3.74Å; F193-F197 AromaticContact CE2-CD2 3.68Å; F193-F197 HydrophobicContact CE2-CD2 3.68Å; F193-F197 AromaticContact CE2-CE2 3.81Å; F193-F197 HydrophobicContact CE2-CE2 3.81Å; F193-F197 HydrophobicContact CG-CD2 4.1Å; F193-F197 HydrophobicContact CZ-CD2 4.13Å; F193-F197 WeakPolarHBondContact O-CD2 3.41Å; F193-F197 PolarHBondContact O-N 3.23Å; K194-F197 VanDerWaalsContact O-O 3.1Å; F197-T199 PolarHBondContact O-N 3.25Å; F197-T199 VanDerWaalsContact O-N 3.1Å; F197-T199 PolarHBondContact O-OG1 3.04Å; F197-A215 HydrophobicContact CB-CB 3.66Å; F197-A215 HydrophobicContact CD1-CB 4.43Å; F197-A215 HydrophobicContact CD2-CB 4.41Å; F197-A215 HydrophobicContact CG-CB 3.93Å; F197-K218 VanDerWaalsContact C-CE 3.44Å; F197-K218 VanDerWaalsContact O-CE 3.27Å; F197-K218 WeakPolarHBondContact O-CE 3.48Å
198	N	98.1	Very high	95	Very high	77 Å²	77	64 Å²	64	41%	0.412	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	100.3	161	-76.6	-33	0	0	0	108.2	A215 T216 A217	N198-A215 WeakPolarHBondContact O-CA 3.31Å; N198-T216 PolarHBondContact N-O 3.49Å; N198-T216 PolarHBondContact O-N 3.17Å; N198-A217 PolarHBondContact ND2-O 3.4Å; N198-A217 VanDerWaalsContact ND2-O 3.09Å
199	T	98.2	Very high	94.9	Very high	39 Å²	39	61.5 Å²	61.5	24%	0.239	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.8	-167.4	-56.1	0	0	0	0	112.1	F193 K194 F197 Y213 K214	F193-T199 HydrophobicContact CD1-CG2 4.15Å; F193-T199 HydrophobicContact CE1-CG2 3.8Å; K194-T199 HydrophobicContact CG-CG2 3.94Å; F197-T199 PolarHBondContact O-N 3.25Å; F197-T199 VanDerWaalsContact O-N 3.1Å; F197-T199 PolarHBondContact O-OG1 3.04Å; T199-Y213 HydrophobicContact CG2-CD1 3.79Å; T199-Y213 HydrophobicContact CG2-CG 4.37Å; T199-K214 CarbonylContact C-O 3.08Å; T199-K214 WeakPolarHBondContact CA-O 3.19Å
200	T	98	Very high	94.7	Very high	79 Å²	79	61 Å²	61	49%	0.485	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.3	171.4	-56	0	0	0	0	109.1	L202 Y213 K214	T200-L202 HydrophobicContact CG2-CD2 4.39Å; T200-L202 PolarHBondContact O-N 2.94Å; T200-Y213 WeakPolarHBondContact O-CA 3.32Å; T200-K214 PolarHBondContact N-O 3.33Å; T200-K214 PolarHBondContact O-N 2.86Å
201	L	97.4	Very high	94.7	Very high	75 Å²	75	60.8 Å²	60.8	39%	0.393	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	117.4	169	178.6	65.3	0	0	0	108.2	V203 E204 C211 Y213	L201-V203 WeakPolarHBondContact CD1-O 3.28Å; L201-E204 HydrophobicContact CD2-CB 4.23Å; L201-C211 HydrophobicContact CD1-CB 3.93Å; L201-Y213 HydrophobicContact CB-CD1 4.24Å; L201-Y213 HydrophobicContact CB-CE1 4.1Å; L201-Y213 HydrophobicContact CD1-CD1 3.96Å; L201-Y213 HydrophobicContact CD1-CE1 3.56Å; L201-Y213 HydrophobicContact CG-CE1 4.38Å
202	L	96.5	Very high	94.8	Very high	53 Å²	53	54.6 Å²	54.6	28%	0.277	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-42.7	-179.3	-64.3	175.1	0	0	0	111.7	F55 M63 L176 T200 I212 K214	F55-L202 HydrophobicContact CE1-CD1 3.9Å; F55-L202 HydrophobicContact CE2-CB 4.29Å; F55-L202 HydrophobicContact CE2-CD1 4.36Å; F55-L202 HydrophobicContact CZ-CB 4.32Å; F55-L202 HydrophobicContact CZ-CD1 3.61Å; F55-L202 HydrophobicContact CZ-CG 4.45Å; M63-L202 HydrophobicContact CE-CD1 3.88Å; M63-L202 HydrophobicContact CE-CD2 4.44Å; L176-L202 HydrophobicContact CD2-CD1 3.88Å; T200-L202 HydrophobicContact CG2-CD2 4.39Å; T200-L202 PolarHBondContact O-N 2.94Å; L202-I212 WeakPolarHBondContact CB-O 3.32Å; L202-I212 HydrophobicContact CD1-CG2 4.27Å; L202-I212 PolarHBondContact N-O 3.36Å; L202-K214 HydrophobicContact CD1-CB 3.69Å; L202-K214 HydrophobicContact CD2-CB 4.03Å; L202-K214 HydrophobicContact CG-CB 3.83Å
203	V	95.2	Very high	94.9	Very high	20 Å²	20	52.2 Å²	52.2	12%	0.121	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	138.6	-175.5	-177.9	0	0	0	0	108.6	W12 P14 F55 L201 V205 C211 I212	W12-V203 HydrophobicContact CZ3-CG1 4.15Å; W12-V203 HydrophobicContact CZ3-CG2 3.99Å; P14-V203 HydrophobicContact CG-CG1 3.95Å; F55-V203 HydrophobicContact CD2-CG2 3.64Å; F55-V203 HydrophobicContact CE2-CG2 3.95Å; L201-V203 WeakPolarHBondContact CD1-O 3.28Å; V203-V205 HydrophobicContact CG1-CG2 4.14Å; V203-C211 CarbonylContact O-C 3.6Å; V203-C211 WeakPolarHBondContact O-CA 3.36Å; V203-I212 HydrophobicContact CB-CB 4.01Å; V203-I212 HydrophobicContact CB-CD1 4.09Å; V203-I212 HydrophobicContact CB-CG1 4.06Å; V203-I212 HydrophobicContact CG2-CB 4.39Å; V203-I212 HydrophobicContact CG2-CD1 4.16Å; V203-I212 PolarHBondContact N-O 2.76Å; V203-I212 PolarHBondContact O-N 2.74Å
204	E	93.8	Very high	94.9	Very high	123 Å²	123	55.6 Å²	55.6	58%	0.575	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131	130.8	168.3	-176.6	172	-154.8	0	0	107.9	L201 P206 M210	L201-E204 HydrophobicContact CD2-CB 4.23Å; E204-P206 HydrophobicContact CG-CG 4.26Å; E204-P206 WeakPolarHBondContact O-CD 3.32Å; E204-M210 CarbonylContact C-O 3.56Å; E204-M210 WeakPolarHBondContact CA-O 3.44Å
205	V	90.4	Very high	94.9	Very high	10 Å²	10	51 Å²	51	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	89	174.2	-167.3	0	0	0	0	107.2	P14 L16 V203 Q207 E208 N209 M210	P14-V205 HydrophobicContact CB-CG2 4.1Å; P14-V205 HydrophobicContact CG-CG2 3.44Å; P14-V205 VanDerWaalsContact CG-CG2 3.44Å; L16-V205 HydrophobicContact CD1-CB 4.48Å; L16-V205 HydrophobicContact CD1-CG1 4.44Å; L16-V205 HydrophobicContact CD1-CG2 4.4Å; V203-V205 HydrophobicContact CG1-CG2 4.14Å; V205-Q207 VanDerWaalsContact C-N 3.26Å; V205-Q207 PolarHBondContact O-N 3.47Å; V205-E208 HydrophobicContact CB-CB 4.28Å; V205-E208 HydrophobicContact CG1-CB 3.96Å; V205-E208 HydrophobicContact CG1-CG 4.1Å; V205-E208 CarbonylContact O-C 3.5Å; V205-E208 PolarHBondContact O-N 3.17Å; V205-N209 PolarHBondContact O-N 3.15Å; V205-M210 HydrophobicContact CB-CB 4.14Å; V205-M210 HydrophobicContact CG2-CB 4.31Å; V205-M210 PolarHBondContact N-O 3.45Å; V205-M210 PolarHBondContact O-N 3.19Å
206	P	86.8	Confident	95	Very high	78 Å²	78	49.5 Å²	49.5	51%	0.506	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-59	-36.1	-171.8	-26.8	35.3	0	0	0	113.4	E204 E208 N209	E204-P206 HydrophobicContact CG-CG 4.26Å; E204-P206 WeakPolarHBondContact O-CD 3.32Å; P206-E208 PolarHBondContact O-N 2.79Å; P206-N209 PolarHBondContact O-N 3.25Å; P206-N209 PolarHBondContact O-OD1 2.76Å
207	Q	85.1	Confident	94.9	Very high	161 Å²	161	49.1 Å²	49.1	75%	0.752	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-66.4	-23.1	-178.7	-55.1	84.7	0.6	0	0	112.6	V205	V205-Q207 VanDerWaalsContact C-N 3.26Å; V205-Q207 PolarHBondContact O-N 3.47Å
208	E	85.1	Confident	94.7	Very high	60 Å²	60	52.8 Å²	52.8	28%	0.28	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-111.6	0.9	-175.8	-69.7	-69.8	172.9	0	0	112.7	L16 K180 V205 P206 M210	L16-E208 HydrophobicContact CB-CG 4.04Å; L16-E208 HydrophobicContact CD1-CB 3.67Å; L16-E208 HydrophobicContact CD1-CG 3.87Å; L16-E208 HydrophobicContact CG-CG 4.46Å; K180-E208 VanDerWaalsContact CD-O 3.28Å; K180-E208 WeakPolarHBondContact CD-O 3.29Å; K180-E208 WeakPolarHBondContact CE-O 3.42Å; K180-E208 WeakPolarHBondContact CG-O 3.37Å; K180-E208 PolarHBondContact NZ-O 3.35Å; K180-E208 IonicContact NZ-OE2 2.86Å; K180-E208 PolarHBondContact NZ-OE2 3.41Å; V205-E208 HydrophobicContact CB-CB 4.28Å; V205-E208 HydrophobicContact CG1-CB 3.96Å; V205-E208 HydrophobicContact CG1-CG 4.1Å; V205-E208 CarbonylContact O-C 3.5Å; V205-E208 PolarHBondContact O-N 3.17Å; P206-E208 PolarHBondContact O-N 2.79Å; E208-M210 HydrophobicContact CB-CB 4.29Å; E208-M210 PolarHBondContact O-N 2.96Å; E208-M210 VanDerWaalsContact O-N 3.17Å
209	N	91.8	Very high	93.6	Very high	95 Å²	95	59.1 Å²	59.1	51%	0.508	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	35.9	-170.6	-66.6	-20.1	0	0	0	112.6	K180 L181 V205 P206	K180-N209 CarbonylContact C-O 3.48Å; K180-N209 VanDerWaalsContact CA-O 3.32Å; K180-N209 WeakPolarHBondContact CA-O 3.33Å; L181-N209 HydrophobicContact CB-CB 4.39Å; L181-N209 PolarHBondContact N-O 2.89Å; L181-N209 WeakPolarHBondContact O-CB 3.03Å; V205-N209 PolarHBondContact O-N 3.15Å; P206-N209 PolarHBondContact O-N 3.25Å; P206-N209 PolarHBondContact O-OD1 2.76Å
210	M	94.2	Very high	93.4	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.5	-177.3	178	61.8	67.6	0	0	110.2	L16 P47 A51 A178 N179 K180 E204 V205 E208	L16-M210 HydrophobicContact CD1-CB 3.77Å; L16-M210 HydrophobicContact CD1-CG 3.94Å; P47-M210 HydrophobicContact CB-CE 3.79Å; A51-M210 HydrophobicContact CB-CG 3.95Å; A51-M210 HydrophobicContact CB-SD 4.24Å; A178-M210 HydrophobicContact CB-SD 4.48Å; N179-M210 VanDerWaalsContact O-SD 3.32Å; K180-M210 HydrophobicContact CB-CE 3.68Å; E204-M210 CarbonylContact C-O 3.56Å; E204-M210 WeakPolarHBondContact CA-O 3.44Å; V205-M210 HydrophobicContact CB-CB 4.14Å; V205-M210 HydrophobicContact CG2-CB 4.31Å; V205-M210 PolarHBondContact N-O 3.45Å; V205-M210 PolarHBondContact O-N 3.19Å; E208-M210 HydrophobicContact CB-CB 4.29Å; E208-M210 PolarHBondContact O-N 2.96Å; E208-M210 VanDerWaalsContact O-N 3.17Å
211	C	96.3	Very high	93.2	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.02	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.9	173.3	-61.5	0	0	0	0	110.7	A178 N179 L201 V203 Y213	A178-C211 CarbonylContact C-O 3.55Å; A178-C211 VanDerWaalsContact CA-O 3.28Å; A178-C211 WeakPolarHBondContact CA-O 3.46Å; N179-C211 PolarHBondContact N-O 3.46Å; N179-C211 PolarHBondContact O-N 3.39Å; L201-C211 HydrophobicContact CD1-CB 3.93Å; V203-C211 CarbonylContact O-C 3.6Å; V203-C211 WeakPolarHBondContact O-CA 3.36Å; C211-Y213 HydrophobicContact CB-CD2 4.16Å; C211-Y213 HydrophobicContact CB-CE2 3.46Å; C211-Y213 VanDerWaalsContact CB-CE2 3.46Å
212	I	97.9	Very high	92.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121	167.7	-52.2	-178.8	0	0	0	108.3	A51 L52 F55 W177 A178 L202 V203	A51-I212 HydrophobicContact CB-CD1 4.26Å; L52-I212 HydrophobicContact CD1-CD1 4.48Å; L52-I212 HydrophobicContact CD1-CG2 3.9Å; F55-I212 HydrophobicContact CB-CD1 3.67Å; F55-I212 HydrophobicContact CD2-CD1 4.45Å; F55-I212 HydrophobicContact CG-CD1 4.06Å; W177-I212 CarbonylContact O-C 3.55Å; W177-I212 WeakPolarHBondContact O-CA 3.25Å; A178-I212 HydrophobicContact CB-CG1 3.94Å; L202-I212 WeakPolarHBondContact CB-O 3.32Å; L202-I212 HydrophobicContact CD1-CG2 4.27Å; L202-I212 PolarHBondContact N-O 3.36Å; V203-I212 HydrophobicContact CB-CB 4.01Å; V203-I212 HydrophobicContact CB-CD1 4.09Å; V203-I212 HydrophobicContact CB-CG1 4.06Å; V203-I212 HydrophobicContact CG2-CB 4.39Å; V203-I212 HydrophobicContact CG2-CD1 4.16Å; V203-I212 PolarHBondContact N-O 2.76Å; V203-I212 PolarHBondContact O-N 2.74Å
213	Y	98.3	Very high	92.7	Very high	12 Å²	12	58.6 Å²	58.6	5%	0.047	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	142.7	178.2	-64	-79.8	0	0	0	111	L176 W177 T190 K194 T199 T200 L201 C211	L176-Y213 WeakPolarHBondContact CA-O 3.45Å; W177-Y213 HydrophobicContact CD2-CD2 4.46Å; W177-Y213 AromaticContact CE3-CD2 3.71Å; W177-Y213 HydrophobicContact CE3-CD2 3.71Å; W177-Y213 HydrophobicContact CE3-CE2 4.42Å; W177-Y213 HydrophobicContact CE3-CG 4.35Å; W177-Y213 AromaticContact CZ3-CD2 3.83Å; W177-Y213 HydrophobicContact CZ3-CD2 3.83Å; W177-Y213 HydrophobicContact CZ3-CE2 4.1Å; W177-Y213 PolarHBondContact N-O 3.03Å; W177-Y213 PolarHBondContact O-N 2.69Å; T190-Y213 HydrophobicContact CG2-CE2 4.22Å; K194-Y213 VanDerWaalsContact CE-CE1 3.46Å; K194-Y213 PolarHBondContact NZ-OH 2.92Å; T199-Y213 HydrophobicContact CG2-CD1 3.79Å; T199-Y213 HydrophobicContact CG2-CG 4.37Å; T200-Y213 WeakPolarHBondContact O-CA 3.32Å; L201-Y213 HydrophobicContact CB-CD1 4.24Å; L201-Y213 HydrophobicContact CB-CE1 4.1Å; L201-Y213 HydrophobicContact CD1-CD1 3.96Å; L201-Y213 HydrophobicContact CD1-CE1 3.56Å; L201-Y213 HydrophobicContact CG-CE1 4.38Å; C211-Y213 HydrophobicContact CB-CD2 4.16Å; C211-Y213 HydrophobicContact CB-CE2 3.46Å; C211-Y213 VanDerWaalsContact CB-CE2 3.46Å
214	K	98.4	Very high	92.6	Very high	71 Å²	71	61 Å²	61	31%	0.309	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.6	160.6	-179.5	-173.8	179.2	174.6	0	108.8	M63 T174 L175 L176 T199 T200 L202	M63-K214 HydrophobicContact CE-CD 4.02Å; T174-K214 HydrophobicContact CG2-CD 4.26Å; T174-K214 HydrophobicContact CG2-CG 3.77Å; L175-K214 CarbonylContact O-C 3.44Å; L175-K214 WeakPolarHBondContact O-CA 3.37Å; L176-K214 HydrophobicContact CD2-CB 4.05Å; L176-K214 HydrophobicContact CD2-CG 4.15Å; T199-K214 CarbonylContact C-O 3.08Å; T199-K214 WeakPolarHBondContact CA-O 3.19Å; T200-K214 PolarHBondContact N-O 3.33Å; T200-K214 PolarHBondContact O-N 2.86Å; L202-K214 HydrophobicContact CD1-CB 3.69Å; L202-K214 HydrophobicContact CD2-CB 4.03Å; L202-K214 HydrophobicContact CG-CB 3.83Å
215	A	98.4	Very high	92.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.8	174.3	0	0	0	0	0	112.1	L175 F193 F197 N198	L175-A215 HydrophobicContact CB-CB 4.21Å; L175-A215 PolarHBondContact N-O 2.99Å; L175-A215 PolarHBondContact O-N 3.12Å; F193-A215 HydrophobicContact CE1-CB 3.81Å; F193-A215 HydrophobicContact CE2-CB 4.26Å; F193-A215 HydrophobicContact CZ-CB 3.37Å; F197-A215 HydrophobicContact CB-CB 3.66Å; F197-A215 HydrophobicContact CD1-CB 4.43Å; F197-A215 HydrophobicContact CD2-CB 4.41Å; F197-A215 HydrophobicContact CG-CB 3.93Å; N198-A215 WeakPolarHBondContact O-CA 3.31Å
216	T	98.4	Very high	92.6	Very high	48 Å²	48	60.2 Å²	60.2	29%	0.294	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	162.4	166.5	60.5	0	0	0	0	109.7	N198	N198-T216 PolarHBondContact N-O 3.49Å; N198-T216 PolarHBondContact O-N 3.17Å
217	A	97.1	Very high	93.1	Very high	24 Å²	24	58.8 Å²	58.8	20%	0.198	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	145	173.5	0	0	0	0	0	111.7	C167 R169 N198	C167-A217 WeakPolarHBondContact O-CB 3.44Å; R169-A217 HydrophobicContact CG-CB 4.21Å; N198-A217 PolarHBondContact ND2-O 3.4Å; N198-A217 VanDerWaalsContact ND2-O 3.09Å
218	K	93.3	Very high	93.7	Very high	80 Å²	80	50.3 Å²	50.3	35%	0.348	25%	0.249	S	C	.	.			trans	-77.1	126.9	161.9	-62.5	-175.1	173.2	-173.6	0	107.4	R169 S195 F197	R169-K218 WeakPolarHBondContact CD-O 3.22Å; R169-K218 WeakPolarHBondContact CG-O 3.24Å; R169-K218 PolarHBondContact NE-O 3.48Å; S195-K218 WeakPolarHBondContact O-CE 3.08Å; S195-K218 PolarHBondContact O-NZ 3.49Å; F197-K218 VanDerWaalsContact C-CE 3.44Å; F197-K218 VanDerWaalsContact O-CE 3.27Å; F197-K218 WeakPolarHBondContact O-CE 3.48Å
219	E	75.6	Confident	94.5	Very high	210 Å²	210	49.5 Å²	49.5	98%	0.981	25%	0.246	S	C	*	.				57.1	0	74.9	60.4	171.8	146.6	0	0	111.8	R169	R169-E219 PolarHBondContact NH1-O 3.44Å; R169-E219 PolarHBondContact NH1-OXT 2.86Å; R169-E219 VanDerWaalsContact NH2-C 3.32Å; R169-E219 PolarHBondContact NH2-OXT 3.02Å

Retrieved 219 of 219 residues in 121.9 ms (Link to these results)

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