A0A060X1H6_ONCMY Loading...

Alpha/beta hydrolase domain-containing protein 17B

AlphaFold DB (A0A673YNN9), UniProt , Accession A0A060X1H6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 290 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	35	Very low	45.4	Very low	212 Å²	212	108.8 Å²	108.8	100%	1.044	59%	0.592	S	S	*	*				0	104.4	0	-70.9	176.6	-72.7	0	0	107.8	H3	M1-H3 PolarHBondContact O-N 2.68Å
2	N	36.6	Very low	45.7	Very low	169 Å²	169	101.5 Å²	101.5	90%	0.904	55%	0.552	S	S	*	*			trans	-78.3	98.6	176.9	-75.3	-15.5	0	0	0	107.9	L4	N2-L4 PolarHBondContact O-N 2.97Å
3	H	45.2	Very low	45.8	Very low	167 Å²	167	100.3 Å²	100.3	77%	0.773	54%	0.539	S	S	*	.			trans	-66.9	111.9	170	-78.8	-77.2	0	0	0	108.7	M1 S5	M1-H3 PolarHBondContact O-N 2.68Å; H3-S5 PolarHBondContact O-N 2.95Å
4	L	50.2	Low	45.9	Very low	88 Å²	88	100 Å²	100	46%	0.461	55%	0.547	S	S	.	.			trans	-60.8	127.6	167.1	-74.2	161.3	0	0	0	108.4	N2 E8 L26	N2-L4 PolarHBondContact O-N 2.97Å; L4-E8 WeakPolarHBondContact CA-OE2 3.33Å; L4-E8 HydrophobicContact CD2-CB 4.19Å; L4-E8 HydrophobicContact CD2-CG 4.48Å; L4-L26 HydrophobicContact CD1-CD1 4.1Å
5	S	49.9	Very low	45.7	Very low	52 Å²	52	98.6 Å²	98.6	36%	0.364	55%	0.546	S	S	.	.			trans	-71	153.9	-178.7	66.2	0	0	0	0	111.7	H3 S7 E8 L9	H3-S5 PolarHBondContact O-N 2.95Å; S5-S7 PolarHBondContact O-N 3.34Å; S5-E8 PolarHBondContact N-OE2 3.07Å; S5-E8 WeakPolarHBondContact O-CB 3.32Å; S5-E8 PolarHBondContact O-N 3.45Å; S5-E8 WeakPolarHBondContact OG-CG 3.25Å; S5-E8 PolarHBondContact OG-N 3.47Å; S5-E8 PolarHBondContact OG-OE2 3.09Å; S5-L9 PolarHBondContact O-N 3.36Å; S5-L9 VanDerWaalsContact O-N 3.13Å
6	L	44.8	Very low	45.2	Very low	147 Å²	147	100.1 Å²	100.1	77%	0.77	56%	0.562	S	S	*	*	H	α-helix	trans	-52	-28.3	171.9	-106	135.4	0	0	0	113.1	C10	L6-C10 PolarHBondContact O-N 3Å
7	S	42.4	Very low	45.4	Very low	81 Å²	81	101.4 Å²	101.4	57%	0.566	58%	0.575	S	S	*	*	H	α-helix	trans	-66.9	-42	173.6	160.8	0	0	0	0	112.5	S5 C10 C11	S5-S7 PolarHBondContact O-N 3.34Å; S7-C10 PolarHBondContact O-N 2.94Å; S7-C11 PolarHBondContact O-N 3.06Å; S7-C11 VanDerWaalsContact O-N 3.08Å
8	E	48.6	Very low	45.4	Very low	89 Å²	89	99.2 Å²	99.2	42%	0.416	57%	0.566	S	S	.	*	H	α-helix	trans	-69.1	-37.7	177.2	-71.2	163.3	135	0	0	111.1	L4 S5 C11 L12	L4-E8 WeakPolarHBondContact CA-OE2 3.33Å; L4-E8 HydrophobicContact CD2-CB 4.19Å; L4-E8 HydrophobicContact CD2-CG 4.48Å; S5-E8 PolarHBondContact N-OE2 3.07Å; S5-E8 WeakPolarHBondContact O-CB 3.32Å; S5-E8 PolarHBondContact O-N 3.45Å; S5-E8 WeakPolarHBondContact OG-CG 3.25Å; S5-E8 PolarHBondContact OG-N 3.47Å; S5-E8 PolarHBondContact OG-OE2 3.09Å; E8-C11 PolarHBondContact O-N 2.85Å; E8-L12 WeakPolarHBondContact O-CD1 3.25Å; E8-L12 PolarHBondContact O-N 3.2Å; E8-L12 VanDerWaalsContact O-N 3.1Å
9	L	52.1	Low	45.6	Very low	52 Å²	52	96.2 Å²	96.2	27%	0.272	55%	0.551	S	S	.	*	H	α-helix	trans	-59.9	-46.2	169.9	-83.4	134.2	0	0	0	112.4	S5 C11 L12 F13 F202	S5-L9 PolarHBondContact O-N 3.36Å; S5-L9 VanDerWaalsContact O-N 3.13Å; L9-C11 VanDerWaalsContact C-N 3.35Å; L9-C11 PolarHBondContact O-N 3.44Å; L9-L12 WeakPolarHBondContact O-CB 3.18Å; L9-L12 PolarHBondContact O-N 3.22Å; L9-F13 HydrophobicContact CD2-CE2 4.36Å; L9-F13 WeakPolarHBondContact O-CD2 3.33Å; L9-F13 PolarHBondContact O-N 3.47Å; L9-F202 HydrophobicContact CD2-CE1 3.62Å; L9-F202 HydrophobicContact CD2-CZ 3.36Å
10	C	45.3	Very low	45.9	Very low	70 Å²	70	95.9 Å²	95.9	47%	0.473	56%	0.555	S	S	.	*	H	α-helix	trans	-63.2	-38.2	177.1	-87.3	0	0	0	0	112.9	L6 S7 L12 F13 C14	L6-C10 PolarHBondContact O-N 3Å; S7-C10 PolarHBondContact O-N 2.94Å; C10-L12 VanDerWaalsContact C-N 3.3Å; C10-L12 PolarHBondContact O-N 2.98Å; C10-F13 PolarHBondContact O-N 3.07Å; C10-C14 WeakPolarHBondContact O-CB 3.2Å; C10-C14 PolarHBondContact O-N 3.32Å
11	C	49.3	Very low	45.9	Very low	70 Å²	70	98.7 Å²	98.7	47%	0.473	56%	0.56	S	S	.	*	H	α-helix	trans	-67.7	-28.1	175.3	-77.2	0	0	0	0	113.3	S7 E8 L9	S7-C11 PolarHBondContact O-N 3.06Å; S7-C11 VanDerWaalsContact O-N 3.08Å; E8-C11 PolarHBondContact O-N 2.85Å; L9-C11 VanDerWaalsContact C-N 3.35Å; L9-C11 PolarHBondContact O-N 3.44Å
12	L	48.7	Very low	46.4	Very low	21 Å²	21	91.5 Å²	91.5	11%	0.11	53%	0.526	C	S	.	.	H	α-helix	trans	-69.3	-33.3	176	-99.3	143.5	0	0	0	113	E8 L9 C10 I22	E8-L12 WeakPolarHBondContact O-CD1 3.25Å; E8-L12 PolarHBondContact O-N 3.2Å; E8-L12 VanDerWaalsContact O-N 3.1Å; L9-L12 WeakPolarHBondContact O-CB 3.18Å; L9-L12 PolarHBondContact O-N 3.22Å; C10-L12 VanDerWaalsContact C-N 3.3Å; C10-L12 PolarHBondContact O-N 2.98Å; L12-I22 HydrophobicContact CD1-CG2 4.13Å; L12-I22 HydrophobicContact CD2-CB 4.29Å; L12-I22 HydrophobicContact CD2-CG2 3.98Å; L12-I22 HydrophobicContact CG-CB 4.46Å; L12-I22 HydrophobicContact CG-CG2 3.88Å
13	F	47.8	Very low	47	Very low	86 Å²	86	85.5 Å²	85.5	38%	0.377	50%	0.495	S	S	.	.	H	α-helix	trans	-118	-19.9	-167.6	-63.5	-70.3	0	0	0	115.9	L9 C10 M198 F202 F211	L9-F13 HydrophobicContact CD2-CE2 4.36Å; L9-F13 WeakPolarHBondContact O-CD2 3.33Å; L9-F13 PolarHBondContact O-N 3.47Å; C10-F13 PolarHBondContact O-N 3.07Å; F13-M198 HydrophobicContact CE1-CE 4.33Å; F13-M198 HydrophobicContact CE1-SD 3.75Å; F13-M198 HydrophobicContact CZ-CE 4.27Å; F13-M198 HydrophobicContact CZ-SD 3.7Å; F13-F202 HydrophobicContact CE2-CE2 4.25Å; F13-F202 HydrophobicContact CE2-CZ 4.28Å; F13-F202 HydrophobicContact CZ-CE2 4.07Å; F13-F211 AromaticContact CD1-CD2 3.94Å; F13-F211 HydrophobicContact CD1-CD2 3.94Å; F13-F211 AromaticContact CD1-CE2 3.74Å; F13-F211 HydrophobicContact CD1-CE2 3.74Å; F13-F211 HydrophobicContact CD1-CZ 4.33Å; F13-F211 AromaticContact CE1-CD2 3.71Å; F13-F211 HydrophobicContact CE1-CD2 3.71Å; F13-F211 AromaticContact CE1-CE2 3.57Å; F13-F211 HydrophobicContact CE1-CE2 3.57Å
14	C	46.8	Very low	47.5	Very low	96 Å²	96	78.8 Å²	78.8	65%	0.649	47%	0.467	S	S	*	.	S	Bend	trans	-103.4	-1.6	-171.7	-62.2	0	0	0	0	115.6	C10	C10-C14 WeakPolarHBondContact O-CB 3.2Å; C10-C14 PolarHBondContact O-N 3.32Å
15	C	42.3	Very low	47.8	Very low	79 Å²	79	82.5 Å²	82.5	53%	0.534	48%	0.48	S	S	.	.	S	Bend	trans	-128.6	103.2	-177.4	-72	0	0	0	0	112.9	C18	C15-C18 PolarHBondContact O-N 2.91Å
16	P	38.1	Very low	48.3	Very low	123 Å²	123	84.5 Å²	84.5	80%	0.799	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	133.2	171.5	31.7	-28.4	0	0	0	109.7
17	P	48.8	Very low	49.7	Very low	121 Å²	121	78.6 Å²	78.6	79%	0.786	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	cis	-121.4	72	15.2	38.4	-20.2	0	0	0	111.9
18	C	44.8	Very low	51.8	Low	62 Å²	62	75.1 Å²	75.1	42%	0.419	43%	0.433	S	S	.	.			trans	-115.8	-1.6	178.4	-78.9	0	0	0	0	118.8	C15 S20	C15-C18 PolarHBondContact O-N 2.91Å; C18-S20 PolarHBondContact O-N 3.31Å
19	P	50.5	Low	53.9	Low	43 Å²	43	75.5 Å²	75.5	28%	0.279	44%	0.437	S	S	.	.	H	α-helix	trans	-59.2	-45.8	-176.8	-23.3	30.8	0	0	0	113.2	K21 I22 T23	P19-K21 VanDerWaalsContact C-N 3.31Å; P19-K21 PolarHBondContact O-N 2.72Å; P19-K21 VanDerWaalsContact O-N 3.15Å; P19-I22 PolarHBondContact O-N 2.79Å; P19-T23 WeakPolarHBondContact O-CB 3.23Å; P19-T23 PolarHBondContact O-N 2.88Å; P19-T23 PolarHBondContact O-OG1 3.1Å
20	S	50	Low	55.8	Low	90 Å²	90	75.6 Å²	75.6	63%	0.629	44%	0.441	S	S	*	.	H	α-helix	trans	-60.6	-32.7	-171.8	63.3	0	0	0	0	115	C18 S24	C18-S20 PolarHBondContact O-N 3.31Å; S20-S24 WeakPolarHBondContact O-CB 3.43Å; S20-S24 PolarHBondContact O-N 3.17Å; S20-S24 PolarHBondContact O-OG 2.93Å
21	K	46.8	Very low	58.1	Low	154 Å²	154	73.8 Å²	73.8	67%	0.67	43%	0.428	S	S	*	.	H	α-helix	trans	-80.8	-30.1	-177.2	-74.8	-176.7	-178.3	172.8	0	113.4	P19 S24 K25	P19-K21 VanDerWaalsContact C-N 3.31Å; P19-K21 PolarHBondContact O-N 2.72Å; P19-K21 VanDerWaalsContact O-N 3.15Å; K21-S24 WeakPolarHBondContact CA-OG 3.49Å; K21-S24 PolarHBondContact O-OG 3.45Å; K21-K25 WeakPolarHBondContact O-CG 3.4Å; K21-K25 PolarHBondContact O-N 3.13Å
22	I	46.2	Very low	60.3	Low	62 Å²	62	77 Å²	77	32%	0.318	44%	0.436	S	S	.	.	H	α-helix	trans	-83.8	-46.5	179.6	-61	171.4	0	0	0	108.8	L12 P19 S24 K25 L26	L12-I22 HydrophobicContact CD1-CG2 4.13Å; L12-I22 HydrophobicContact CD2-CB 4.29Å; L12-I22 HydrophobicContact CD2-CG2 3.98Å; L12-I22 HydrophobicContact CG-CB 4.46Å; L12-I22 HydrophobicContact CG-CG2 3.88Å; P19-I22 PolarHBondContact O-N 2.79Å; I22-S24 VanDerWaalsContact C-N 3.28Å; I22-S24 PolarHBondContact O-N 2.94Å; I22-K25 PolarHBondContact O-N 3.12Å; I22-L26 HydrophobicContact CG2-CD1 4.1Å; I22-L26 PolarHBondContact O-N 3.12Å; I22-L26 VanDerWaalsContact O-N 3.08Å
23	T	49.3	Very low	62.6	Low	43 Å²	43	78.7 Å²	78.7	26%	0.264	45%	0.448	S	S	.	.	H	α-helix	trans	-59.2	-39.3	173.1	-49.6	0	0	0	0	111.3	P19 K25 L26 A27 A213	P19-T23 WeakPolarHBondContact O-CB 3.23Å; P19-T23 PolarHBondContact O-N 2.88Å; P19-T23 PolarHBondContact O-OG1 3.1Å; T23-K25 VanDerWaalsContact C-N 3.33Å; T23-K25 PolarHBondContact O-N 3.15Å; T23-L26 PolarHBondContact O-N 2.9Å; T23-A27 WeakPolarHBondContact O-CB 3.22Å; T23-A27 PolarHBondContact O-N 2.81Å; T23-A213 HydrophobicContact CG2-CB 4.09Å
24	S	54.8	Low	65	Low	26 Å²	26	74.7 Å²	74.7	18%	0.182	43%	0.431	C	S	.	.	H	α-helix	trans	-64.8	-33.8	174.5	66.5	0	0	0	0	113.4	S20 K21 I22 F28	S20-S24 WeakPolarHBondContact O-CB 3.43Å; S20-S24 PolarHBondContact O-N 3.17Å; S20-S24 PolarHBondContact O-OG 2.93Å; K21-S24 WeakPolarHBondContact CA-OG 3.49Å; K21-S24 PolarHBondContact O-OG 3.45Å; I22-S24 VanDerWaalsContact C-N 3.28Å; I22-S24 PolarHBondContact O-N 2.94Å; S24-F28 WeakPolarHBondContact O-CB 3.45Å; S24-F28 WeakPolarHBondContact O-CD2 3.45Å; S24-F28 PolarHBondContact O-N 3.14Å
25	K	56.3	Low	67.5	Low	166 Å²	166	70.4 Å²	70.4	72%	0.722	40%	0.401	S	S	*	.	H	α-helix	trans	-75	-27.5	179.1	-83.6	-175.7	174.9	-170.8	0	113.1	K21 I22 T23	K21-K25 WeakPolarHBondContact O-CG 3.4Å; K21-K25 PolarHBondContact O-N 3.13Å; I22-K25 PolarHBondContact O-N 3.12Å; T23-K25 VanDerWaalsContact C-N 3.33Å; T23-K25 PolarHBondContact O-N 3.15Å
26	L	59.8	Low	70.1	Confident	93 Å²	93	70.5 Å²	70.5	49%	0.487	40%	0.4	S	S	.	.	H	α-helix	trans	-90.5	-32	179.3	-67.4	171.7	0	0	0	112.1	L4 I22 T23	L4-L26 HydrophobicContact CD1-CD1 4.1Å; I22-L26 HydrophobicContact CG2-CD1 4.1Å; I22-L26 PolarHBondContact O-N 3.12Å; I22-L26 VanDerWaalsContact O-N 3.08Å; T23-L26 PolarHBondContact O-N 2.9Å
27	A	74.1	Confident	72.9	Confident	24 Å²	24	65.9 Å²	65.9	20%	0.198	37%	0.368	C	S	.	.	H	α-helix	trans	-84.7	-28.5	-178.8	0	0	0	0	0	113.7	T23 N100 F214	T23-A27 WeakPolarHBondContact O-CB 3.22Å; T23-A27 PolarHBondContact O-N 2.81Å; A27-N100 PolarHBondContact O-ND2 3.12Å; A27-F214 HydrophobicContact CB-CE2 3.9Å; A27-F214 HydrophobicContact CB-CZ 4.23Å
28	F	88.2	Confident	75	Confident	8 Å²	8	65 Å²	65	4%	0.035	36%	0.355	C	S	.	.			trans	-113.2	120.1	-178.7	-60.8	-73.6	0	0	0	110.6	S24 P30 Y130 P137 L142 I171 F214	S24-F28 WeakPolarHBondContact O-CB 3.45Å; S24-F28 WeakPolarHBondContact O-CD2 3.45Å; S24-F28 PolarHBondContact O-N 3.14Å; F28-P30 VanDerWaalsContact C-CD 3.44Å; F28-P30 WeakPolarHBondContact O-CD 3.34Å; F28-Y130 WeakPolarHBondContact CA-OH 3.25Å; F28-Y130 HydrophobicContact CB-CE2 4.2Å; F28-Y130 WeakPolarHBondContact CB-OH 3.49Å; F28-Y130 HydrophobicContact CD1-CE2 4.22Å; F28-P137 HydrophobicContact CB-CB 3.38Å; F28-P137 HydrophobicContact CB-CG 3.89Å; F28-P137 HydrophobicContact CD1-CB 3.86Å; F28-P137 HydrophobicContact CD2-CB 3.48Å; F28-P137 VanDerWaalsContact CD2-CB 3.48Å; F28-P137 HydrophobicContact CE1-CB 4.5Å; F28-P137 HydrophobicContact CE2-CB 4.19Å; F28-P137 HydrophobicContact CG-CB 3.29Å; F28-P137 HydrophobicContact CG-CG 4.3Å; F28-L142 HydrophobicContact CE1-CD1 3.92Å; F28-L142 HydrophobicContact CE1-CD2 4.45Å; F28-L142 HydrophobicContact CZ-CD1 4.39Å; F28-L142 HydrophobicContact CZ-CD2 4.41Å; F28-I171 HydrophobicContact CD1-CD1 3.68Å; F28-I171 HydrophobicContact CE1-CD1 3.38Å; F28-I171 HydrophobicContact CE1-CG1 4.29Å; F28-I171 HydrophobicContact CZ-CD1 4.08Å; F28-F214 HydrophobicContact CE1-CZ 4.45Å; F28-F214 HydrophobicContact CE2-CE1 4.34Å; F28-F214 AromaticContact CE2-CZ 3.79Å; F28-F214 HydrophobicContact CE2-CZ 3.79Å; F28-F214 AromaticContact CZ-CE1 3.86Å; F28-F214 HydrophobicContact CZ-CE1 3.86Å; F28-F214 AromaticContact CZ-CZ 3.56Å; F28-F214 HydrophobicContact CZ-CZ 3.56Å
29	L	91.9	Very high	77.2	Confident	97 Å²	97	64.5 Å²	64.5	51%	0.508	35%	0.351	S	S	.	.			trans	-121.3	70.1	178.9	-62.1	173.9	0	0	0	108.3	N100 A101 Y130	L29-N100 PolarHBondContact N-OD1 3.48Å; L29-A101 HydrophobicContact CB-CB 4.46Å; L29-A101 WeakPolarHBondContact O-CA 3.41Å; L29-A101 PolarHBondContact O-N 2.88Å; L29-Y130 PolarHBondContact N-OH 2.79Å; L29-Y130 VanDerWaalsContact N-OH 3.13Å
30	P	92.9	Very high	79	Confident	54 Å²	54	65.3 Å²	65.3	35%	0.351	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-57.8	130.1	175.5	24.3	-32.4	0	0	0	109.7	F28 G129 Y130 P137	F28-P30 VanDerWaalsContact C-CD 3.44Å; F28-P30 WeakPolarHBondContact O-CD 3.34Å; P30-G129 WeakPolarHBondContact CB-O 3.37Å; P30-Y130 HydrophobicContact CB-CD1 3.94Å; P30-Y130 HydrophobicContact CB-CD2 3.76Å; P30-Y130 HydrophobicContact CB-CE1 4.02Å; P30-Y130 HydrophobicContact CB-CE2 3.82Å; P30-Y130 HydrophobicContact CB-CG 3.8Å; P30-Y130 HydrophobicContact CG-CE2 4.28Å; P30-P137 HydrophobicContact CG-CG 4.38Å
31	P	93.3	Very high	80.6	Confident	31 Å²	31	71.2 Å²	71.2	20%	0.201	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-71.3	166.1	175.7	32.6	-35.5	0	0	0	110.2	D103	P31-D103 HydrophobicContact CG-CB 4.1Å
32	E	95.6	Very high	82.4	Confident	137 Å²	137	67.7 Å²	67.7	64%	0.64	37%	0.366	S	S	*	.	S	Bend	trans	-57.9	129.4	161.7	-75.9	-64.1	145.3	0	0	109.1	T34 R53	E32-T34 PolarHBondContact O-N 3.25Å; E32-R53 VanDerWaalsContact CB-NH1 3.35Å
33	P	97.1	Very high	83.9	Confident	57 Å²	57	67 Å²	67	37%	0.37	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-53.4	130.5	-174.5	-29	35.1	0	0	0	112.4	R53	P33-R53 PolarHBondContact O-NH2 3.36Å
34	T	98	Very high	85.3	Confident	3 Å²	3	69 Å²	69	2%	0.018	39%	0.39	C	S	.	.	S	Bend	trans	-99.2	-2.4	178.9	77.7	0	0	0	0	112.6	E32 S51 R53 D103 G105 Q106	E32-T34 PolarHBondContact O-N 3.25Å; T34-S51 VanDerWaalsContact C-OG 3.32Å; T34-S51 WeakPolarHBondContact CA-OG 3.2Å; T34-S51 VanDerWaalsContact O-CB 3.29Å; T34-S51 WeakPolarHBondContact O-CB 3.3Å; T34-S51 PolarHBondContact O-N 3.18Å; T34-S51 PolarHBondContact O-OG 3.32Å; T34-R53 HydrophobicContact CG2-CB 3.99Å; T34-D103 PolarHBondContact N-OD2 3Å; T34-D103 PolarHBondContact OG1-OD1 2.86Å; T34-D103 PolarHBondContact OG1-OD2 3.06Å; T34-G105 WeakPolarHBondContact OG1-CA 3.29Å; T34-Q106 HydrophobicContact CG2-CG 3.46Å; T34-Q106 VanDerWaalsContact CG2-CG 3.46Å; T34-Q106 PolarHBondContact OG1-N 2.99Å
35	Y	98.1	Very high	86.9	Confident	5 Å²	5	75.9 Å²	75.9	2%	0.02	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	164.2	176.2	76.3	-75.6	0	0	0	111.9	L37 L48 H49 A80 D103 L104 D126 A132	Y35-L37 HydrophobicContact CD2-CD2 3.96Å; Y35-L37 HydrophobicContact CD2-CG 4.04Å; Y35-L37 HydrophobicContact CE2-CD1 4.03Å; Y35-L37 HydrophobicContact CE2-CD2 3.9Å; Y35-L37 HydrophobicContact CE2-CG 3.65Å; Y35-L48 HydrophobicContact CD2-CD1 3.5Å; Y35-L48 HydrophobicContact CE2-CD1 4.38Å; Y35-L48 HydrophobicContact CG-CD1 4.06Å; Y35-H49 CarbonylContact C-O 3.57Å; Y35-H49 WeakPolarHBondContact CA-O 3.44Å; Y35-H49 WeakPolarHBondContact CB-O 3.46Å; Y35-A80 WeakPolarHBondContact OH-CB 3.27Å; Y35-D103 WeakPolarHBondContact CD1-OD2 3.31Å; Y35-D103 HydrophobicContact CE1-CB 4.14Å; Y35-L104 HydrophobicContact CE1-CB 3.85Å; Y35-D126 WeakPolarHBondContact CE1-OD2 3.37Å; Y35-D126 VanDerWaalsContact CZ-OD2 3.22Å; Y35-D126 PolarHBondContact OH-OD2 3.3Å; Y35-A132 HydrophobicContact CE2-CB 3.84Å; Y35-A132 PolarHBondContact OH-N 2.97Å
36	T	97.4	Very high	88.6	Confident	82 Å²	82	71.1 Å²	71.1	50%	0.503	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.6	167.9	58.6	0	0	0	0	110.4	H49	T36-H49 PolarHBondContact N-O 2.97Å; T36-H49 PolarHBondContact O-N 2.72Å
37	L	96	Very high	90.2	Very high	25 Å²	25	69.1 Å²	69.1	13%	0.131	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121	173.3	-61.6	-178.2	0	0	0	109.2	Y35 W46 L48 C68 M70 A80 A132	Y35-L37 HydrophobicContact CD2-CD2 3.96Å; Y35-L37 HydrophobicContact CD2-CG 4.04Å; Y35-L37 HydrophobicContact CE2-CD1 4.03Å; Y35-L37 HydrophobicContact CE2-CD2 3.9Å; Y35-L37 HydrophobicContact CE2-CG 3.65Å; L37-W46 HydrophobicContact CB-CE3 3.84Å; L37-W46 HydrophobicContact CB-CZ3 4.2Å; L37-L48 HydrophobicContact CD2-CB 4.27Å; L37-L48 HydrophobicContact CD2-CD1 3.75Å; L37-C68 HydrophobicContact CD1-CB 4.08Å; L37-C68 HydrophobicContact CD2-CB 3.47Å; L37-C68 VanDerWaalsContact CD2-CB 3.47Å; L37-C68 HydrophobicContact CG-CB 4.44Å; L37-M70 HydrophobicContact CD1-SD 3.81Å; L37-A80 HydrophobicContact CD1-CB 3.85Å; L37-A132 HydrophobicContact CD1-CB 4.4Å; L37-A132 HydrophobicContact CG-CB 4.33Å
38	M	92.9	Very high	91.3	Very high	104 Å²	104	69.4 Å²	69.4	51%	0.512	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.2	174.3	-63.2	-159.2	-71.5	0	0	109.5	W46 T47 H49	M38-W46 CarbonylContact O-C 3.47Å; M38-W46 WeakPolarHBondContact O-CA 3.18Å; M38-T47 PolarHBondContact N-O 3.5Å; M38-T47 PolarHBondContact O-N 3.48Å; M38-H49 VanDerWaalsContact CE-CD2 3.4Å; M38-H49 WeakPolarHBondContact CE-CD2 3.21Å; M38-H49 WeakPolarHBondContact CE-NE2 3.29Å
39	C	91.8	Very high	91.6	Very high	50 Å²	50	72.7 Å²	72.7	34%	0.338	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	141.4	172.2	-153.1	0	0	0	0	109.2	G43 R45 W46	C39-G43 WeakPolarHBondContact SG-CA 3.44Å; C39-R45 WeakPolarHBondContact CA-O 3.19Å; C39-W46 HydrophobicContact CB-CD2 3.96Å; C39-W46 HydrophobicContact CB-CE3 3.71Å; C39-W46 HydrophobicContact CB-CH2 3.75Å; C39-W46 HydrophobicContact CB-CZ2 3.96Å; C39-W46 HydrophobicContact CB-CZ3 3.62Å
40	D	88.6	Confident	91.9	Very high	61 Å²	61	69.5 Å²	69.5	33%	0.326	38%	0.378	S	S	.	.			trans	-68.2	167.7	171.5	74.5	-28.7	0	0	0	111.6	S42 G43 S44 R45	D40-S42 PolarHBondContact O-N 2.84Å; D40-S42 VanDerWaalsContact O-N 3.11Å; D40-S42 PolarHBondContact OD1-OG 3.4Å; D40-S42 PolarHBondContact OD2-OG 3.34Å; D40-G43 PolarHBondContact O-N 2.97Å; D40-G43 PolarHBondContact OD1-N 3.34Å; D40-G43 VanDerWaalsContact OD1-N 3.11Å; D40-S44 PolarHBondContact OD1-N 2.95Å; D40-R45 HydrophobicContact CB-CB 4.33Å; D40-R45 PolarHBondContact N-O 2.89Å; D40-R45 PolarHBondContact OD1-N 3.34Å
41	E	84.2	Confident	92	Very high	214 Å²	214	69 Å²	69	100%	1	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.7	-179.4	-63.7	-176.6	170.1	0	0	112.8	G43	E41-G43 VanDerWaalsContact C-N 3.31Å
42	S	83.5	Confident	92	Very high	79 Å²	79	76.8 Å²	76.8	55%	0.552	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-15	177.9	81.1	0	0	0	0	113.8	D40 S44	D40-S42 PolarHBondContact O-N 2.84Å; D40-S42 VanDerWaalsContact O-N 3.11Å; D40-S42 PolarHBondContact OD1-OG 3.4Å; D40-S42 PolarHBondContact OD2-OG 3.34Å; S42-S44 PolarHBondContact O-N 2.77Å; S42-S44 WeakPolarHBondContact OG-CB 3.1Å; S42-S44 PolarHBondContact OG-N 3Å; S42-S44 PolarHBondContact OG-OG 3.32Å
43	G	77.7	Confident	92	Very high	49 Å²	49	77 Å²	77	51%	0.505	40%	0.404	S	S	.	.	S	Bend	trans	76.1	7.2	-176.2	0	0	0	0	0	114.2	C39 D40 E41	C39-G43 WeakPolarHBondContact SG-CA 3.44Å; D40-G43 PolarHBondContact O-N 2.97Å; D40-G43 PolarHBondContact OD1-N 3.34Å; D40-G43 VanDerWaalsContact OD1-N 3.11Å; E41-G43 VanDerWaalsContact C-N 3.31Å
44	S	79.8	Confident	91.9	Very high	85 Å²	85	74.3 Å²	74.3	59%	0.594	39%	0.387	S	S	*	.	S	Bend	trans	-105.7	-28.8	-168.6	74.2	0	0	0	0	113.4	D40 S42	D40-S44 PolarHBondContact OD1-N 2.95Å; S42-S44 PolarHBondContact O-N 2.77Å; S42-S44 WeakPolarHBondContact OG-CB 3.1Å; S42-S44 PolarHBondContact OG-N 3Å; S42-S44 PolarHBondContact OG-OG 3.32Å
45	R	86.7	Confident	91.7	Very high	170 Å²	170	79.2 Å²	79.2	64%	0.642	41%	0.413	S	S	*	.			trans	-115.4	128.2	-177.6	-160.5	177.8	98.2	167.1	6.8	110.6	C39 D40	C39-R45 WeakPolarHBondContact CA-O 3.19Å; D40-R45 HydrophobicContact CB-CB 4.33Å; D40-R45 PolarHBondContact N-O 2.89Å; D40-R45 PolarHBondContact OD1-N 3.34Å
46	W	93.3	Very high	91.6	Very high	66 Å²	66	81.3 Å²	81.3	25%	0.25	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.5	175.1	-64.6	86.1	0	0	0	109.8	L37 M38 C39 C68 F69 M70	L37-W46 HydrophobicContact CB-CE3 3.84Å; L37-W46 HydrophobicContact CB-CZ3 4.2Å; M38-W46 CarbonylContact O-C 3.47Å; M38-W46 WeakPolarHBondContact O-CA 3.18Å; C39-W46 HydrophobicContact CB-CD2 3.96Å; C39-W46 HydrophobicContact CB-CE3 3.71Å; C39-W46 HydrophobicContact CB-CH2 3.75Å; C39-W46 HydrophobicContact CB-CZ2 3.96Å; C39-W46 HydrophobicContact CB-CZ3 3.62Å; W46-C68 VanDerWaalsContact CB-O 3.23Å; W46-C68 WeakPolarHBondContact CB-O 3.24Å; W46-F69 HydrophobicContact CG-CB 4.31Å; W46-M70 HydrophobicContact CE3-CG 4.3Å; W46-M70 HydrophobicContact CH2-CB 3.98Å; W46-M70 HydrophobicContact CH2-CG 3.34Å; W46-M70 HydrophobicContact CZ2-CB 3.9Å; W46-M70 HydrophobicContact CZ2-CG 3.72Å; W46-M70 HydrophobicContact CZ3-CG 3.66Å
47	T	93.3	Very high	91.4	Very high	51 Å²	51	83.9 Å²	83.9	31%	0.313	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.1	176.7	-50.6	0	0	0	0	109	M38 H49	M38-T47 PolarHBondContact N-O 3.5Å; M38-T47 PolarHBondContact O-N 3.48Å; T47-H49 VanDerWaalsContact CG2-NE2 3.31Å; T47-H49 WeakPolarHBondContact CG2-NE2 3.39Å
48	L	96.2	Very high	91.3	Very high	30 Å²	30	86.3 Å²	86.3	16%	0.157	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.4	178	174.7	64.5	0	0	0	110.4	Y35 L37 L50 I66 M82	Y35-L48 HydrophobicContact CD2-CD1 3.5Å; Y35-L48 HydrophobicContact CE2-CD1 4.38Å; Y35-L48 HydrophobicContact CG-CD1 4.06Å; L37-L48 HydrophobicContact CD2-CB 4.27Å; L37-L48 HydrophobicContact CD2-CD1 3.75Å; L48-L50 HydrophobicContact CD1-CD2 3.91Å; L48-L50 HydrophobicContact CD2-CD2 4.06Å; L48-L50 HydrophobicContact CD2-CG 4.3Å; L48-L50 HydrophobicContact CG-CD2 4.04Å; L48-L50 HydrophobicContact CG-CG 4.25Å; L48-I66 HydrophobicContact CD2-CB 4.46Å; L48-I66 HydrophobicContact CD2-CD1 4.38Å; L48-I66 HydrophobicContact CD2-CG2 3.83Å; L48-M82 HydrophobicContact CD1-CE 4.47Å; L48-M82 HydrophobicContact CD2-CE 3.92Å
49	H	96.2	Very high	91.2	Very high	76 Å²	76	84.3 Å²	84.3	35%	0.352	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	109.4	172	-66	-88.2	0	0	0	109.5	Y35 T36 M38 T47	Y35-H49 CarbonylContact C-O 3.57Å; Y35-H49 WeakPolarHBondContact CA-O 3.44Å; Y35-H49 WeakPolarHBondContact CB-O 3.46Å; T36-H49 PolarHBondContact N-O 2.97Å; T36-H49 PolarHBondContact O-N 2.72Å; M38-H49 VanDerWaalsContact CE-CD2 3.4Å; M38-H49 WeakPolarHBondContact CE-CD2 3.21Å; M38-H49 WeakPolarHBondContact CE-NE2 3.29Å; T47-H49 VanDerWaalsContact CG2-NE2 3.31Å; T47-H49 WeakPolarHBondContact CG2-NE2 3.39Å
50	L	96.8	Very high	91	Very high	30 Å²	30	85.7 Å²	85.7	16%	0.157	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134.6	174.3	-60.3	-179.4	0	0	0	109.9	L48 A54 W56	L48-L50 HydrophobicContact CD1-CD2 3.91Å; L48-L50 HydrophobicContact CD2-CD2 4.06Å; L48-L50 HydrophobicContact CD2-CG 4.3Å; L48-L50 HydrophobicContact CG-CD2 4.04Å; L48-L50 HydrophobicContact CG-CG 4.25Å; L50-A54 HydrophobicContact CB-CB 4.03Å; L50-A54 HydrophobicContact CD2-CB 4.14Å; L50-A54 HydrophobicContact CG-CB 4.48Å; L50-W56 HydrophobicContact CD1-CB 3.95Å; L50-W56 HydrophobicContact CD1-CD2 3.75Å; L50-W56 HydrophobicContact CD1-CE3 3.62Å; L50-W56 HydrophobicContact CD1-CG 3.92Å; L50-W56 HydrophobicContact CD1-CZ3 4.31Å
51	S	96.1	Very high	91	Very high	45 Å²	45	92 Å²	92	32%	0.315	47%	0.466	S	S	.	.			trans	-81.4	169	167.1	74.2	0	0	0	0	110.8	T34 R53 A54	T34-S51 VanDerWaalsContact C-OG 3.32Å; T34-S51 WeakPolarHBondContact CA-OG 3.2Å; T34-S51 VanDerWaalsContact O-CB 3.29Å; T34-S51 WeakPolarHBondContact O-CB 3.3Å; T34-S51 PolarHBondContact O-N 3.18Å; T34-S51 PolarHBondContact O-OG 3.32Å; S51-R53 PolarHBondContact O-N 2.74Å; S51-R53 PolarHBondContact OG-N 3.09Å; S51-A54 VanDerWaalsContact O-CB 3.28Å; S51-A54 WeakPolarHBondContact O-CB 3.37Å; S51-A54 PolarHBondContact O-N 3.41Å; S51-A54 VanDerWaalsContact O-N 3.09Å
52	E	93.8	Very high	91.5	Very high	194 Å²	194	85 Å²	85	91%	0.907	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-59.3	-30	174.8	-63	-177.8	168.6	0	0	112.7	A54 D55	E52-A54 PolarHBondContact O-N 2.79Å; E52-D55 PolarHBondContact O-N 3.07Å; E52-D55 VanDerWaalsContact O-N 3.15Å
53	R	94.4	Very high	91.9	Very high	141 Å²	141	84.6 Å²	84.6	53%	0.532	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-69.2	-13.5	178.6	-61.9	-174.5	-66.1	-175.2	2.9	113.8	E32 P33 T34 S51 D55	E32-R53 VanDerWaalsContact CB-NH1 3.35Å; P33-R53 PolarHBondContact O-NH2 3.36Å; T34-R53 HydrophobicContact CG2-CB 3.99Å; S51-R53 PolarHBondContact O-N 2.74Å; S51-R53 PolarHBondContact OG-N 3.09Å; R53-D55 PolarHBondContact O-N 3.45Å
54	A	95	Very high	92.6	Very high	1 Å²	1	89 Å²	89	1%	0.008	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-72.4	-11.3	174	0	0	0	0	0	112.5	L50 S51 E52 W56	L50-A54 HydrophobicContact CB-CB 4.03Å; L50-A54 HydrophobicContact CD2-CB 4.14Å; L50-A54 HydrophobicContact CG-CB 4.48Å; S51-A54 VanDerWaalsContact O-CB 3.28Å; S51-A54 WeakPolarHBondContact O-CB 3.37Å; S51-A54 PolarHBondContact O-N 3.41Å; S51-A54 VanDerWaalsContact O-N 3.09Å; E52-A54 PolarHBondContact O-N 2.79Å; A54-W56 PolarHBondContact O-N 2.97Å
55	D	93.4	Very high	93.3	Very high	106 Å²	106	86.4 Å²	86.4	57%	0.567	42%	0.417	S	S	*	.			trans	46.9	56.3	-177.5	-167.5	42.9	0	0	0	112	E52 R53 Q57 S109	E52-D55 PolarHBondContact O-N 3.07Å; E52-D55 VanDerWaalsContact O-N 3.15Å; R53-D55 PolarHBondContact O-N 3.45Å; D55-Q57 WeakPolarHBondContact O-CG 3.47Å; D55-Q57 PolarHBondContact O-N 3.08Å; D55-Q57 PolarHBondContact OD2-NE2 3.1Å; D55-Q57 VanDerWaalsContact OD2-NE2 3.1Å; D55-S109 PolarHBondContact O-OG 3.28Å
56	W	95.8	Very high	93.8	Very high	49 Å²	49	79.2 Å²	79.2	19%	0.186	39%	0.391	C	S	.	.			trans	-71.7	116.2	-178.7	178.4	-105.9	0	0	0	110.9	L50 A54 Y58 S59 E62 K63 I66 S108 S109 I112	L50-W56 HydrophobicContact CD1-CB 3.95Å; L50-W56 HydrophobicContact CD1-CD2 3.75Å; L50-W56 HydrophobicContact CD1-CE3 3.62Å; L50-W56 HydrophobicContact CD1-CG 3.92Å; L50-W56 HydrophobicContact CD1-CZ3 4.31Å; A54-W56 PolarHBondContact O-N 2.97Å; W56-Y58 HydrophobicContact CH2-CD2 4.35Å; W56-Y58 HydrophobicContact CZ2-CD2 4.48Å; W56-Y58 HydrophobicContact CZ2-CG 4.45Å; W56-Y58 HydrophobicContact CZ3-CD2 4.38Å; W56-Y58 VanDerWaalsContact NE1-C 3.28Å; W56-Y58 PolarHBondContact NE1-O 3.18Å; W56-S59 PolarHBondContact NE1-O 3.39Å; W56-S59 VanDerWaalsContact NE1-O 3.1Å; W56-E62 HydrophobicContact CH2-CB 4.36Å; W56-E62 HydrophobicContact CZ2-CB 3.98Å; W56-K63 HydrophobicContact CH2-CG 4.06Å; W56-K63 HydrophobicContact CZ2-CD 4.47Å; W56-K63 HydrophobicContact CZ2-CG 3.45Å; W56-K63 VanDerWaalsContact CZ2-CG 3.45Å; W56-I66 HydrophobicContact CH2-CD1 3.72Å; W56-I66 HydrophobicContact CZ3-CD1 3.9Å; W56-S108 WeakPolarHBondContact CZ3-OG 3.46Å; W56-S109 WeakPolarHBondContact CA-OG 3.38Å; W56-I112 HydrophobicContact CH2-CD1 3.26Å; W56-I112 HydrophobicContact CZ2-CD1 4.26Å; W56-I112 HydrophobicContact CZ3-CD1 3.81Å
57	Q	94.6	Very high	94	Very high	136 Å²	136	78.3 Å²	78.3	64%	0.636	39%	0.39	S	S	*	.			trans	-97.2	-0.9	-170.4	-67.8	172	5.5	0	0	114.2	D55 S109	D55-Q57 WeakPolarHBondContact O-CG 3.47Å; D55-Q57 PolarHBondContact O-N 3.08Å; D55-Q57 PolarHBondContact OD2-NE2 3.1Å; D55-Q57 VanDerWaalsContact OD2-NE2 3.1Å; Q57-S109 PolarHBondContact N-OG 2.88Å; Q57-S109 VanDerWaalsContact N-OG 3.1Å
58	Y	93.4	Very high	94.2	Very high	76 Å²	76	76.2 Å²	76.2	30%	0.298	38%	0.377	S	S	.	.	S	Bend	trans	-113.6	178.2	-175.5	-63.9	-87	0	0	0	112.2	W56 E62 S109 I112 G113	W56-Y58 HydrophobicContact CH2-CD2 4.35Å; W56-Y58 HydrophobicContact CZ2-CD2 4.48Å; W56-Y58 HydrophobicContact CZ2-CG 4.45Å; W56-Y58 HydrophobicContact CZ3-CD2 4.38Å; W56-Y58 VanDerWaalsContact NE1-C 3.28Å; W56-Y58 PolarHBondContact NE1-O 3.18Å; Y58-E62 HydrophobicContact CD1-CG 4.02Å; Y58-E62 HydrophobicContact CG-CB 4.35Å; Y58-E62 HydrophobicContact CG-CG 4.23Å; Y58-S109 WeakPolarHBondContact CE2-O 3.27Å; Y58-I112 HydrophobicContact CD1-CG2 4.42Å; Y58-I112 HydrophobicContact CD2-CD1 4.45Å; Y58-I112 HydrophobicContact CD2-CG2 4.42Å; Y58-I112 HydrophobicContact CE1-CG2 3.98Å; Y58-I112 HydrophobicContact CE2-CB 4.07Å; Y58-I112 HydrophobicContact CE2-CG2 3.99Å; Y58-G113 VanDerWaalsContact OH-CA 3.29Å; Y58-G113 WeakPolarHBondContact OH-CA 3.32Å; Y58-G113 PolarHBondContact OH-N 2.93Å
59	S	91.6	Very high	94.3	Very high	62 Å²	62	75.3 Å²	75.3	43%	0.434	37%	0.372	S	S	.	.			trans	-78.9	177.4	175	88.2	0	0	0	0	111.3	W56 R61 E62	W56-S59 PolarHBondContact NE1-O 3.39Å; W56-S59 VanDerWaalsContact NE1-O 3.1Å; S59-R61 PolarHBondContact O-N 3.43Å; S59-R61 WeakPolarHBondContact OG-CB 3.49Å; S59-R61 PolarHBondContact OG-N 2.98Å; S59-R61 VanDerWaalsContact OG-N 3.13Å; S59-E62 VanDerWaalsContact CA-OE2 3.29Å; S59-E62 WeakPolarHBondContact CA-OE2 3.4Å; S59-E62 WeakPolarHBondContact CB-OE2 3.45Å; S59-E62 PolarHBondContact N-OE2 3.04Å; S59-E62 PolarHBondContact OG-OE2 3.34Å
60	A	87.3	Confident	94.3	Very high	78 Å²	78	73.4 Å²	73.4	65%	0.645	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.1	173	0	0	0	0	0	112.4	E62 K63	A60-E62 PolarHBondContact O-N 3.21Å; A60-K63 VanDerWaalsContact O-CB 3.31Å; A60-K63 WeakPolarHBondContact O-CB 3.31Å; A60-K63 PolarHBondContact O-N 3.34Å
61	R	88.9	Confident	94.4	Very high	194 Å²	194	73.4 Å²	73.4	73%	0.732	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-64.7	-39.4	-178.3	-175.5	-177	178.1	-176.3	-0.9	112.2	S59 K63 D64	S59-R61 PolarHBondContact O-N 3.43Å; S59-R61 WeakPolarHBondContact OG-CB 3.49Å; S59-R61 PolarHBondContact OG-N 2.98Å; S59-R61 VanDerWaalsContact OG-N 3.13Å; R61-K63 PolarHBondContact O-N 3.37Å; R61-D64 VanDerWaalsContact O-CB 3.32Å; R61-D64 WeakPolarHBondContact O-CB 3.36Å; R61-D64 PolarHBondContact O-N 2.73Å; R61-D64 VanDerWaalsContact O-N 3.08Å
62	E	92.8	Very high	94.5	Very high	66 Å²	66	79 Å²	79	31%	0.308	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-66.5	-20	179.1	-72.7	74.6	-157.8	0	0	112.4	W56 Y58 S59 A60 D64 A65 I112	W56-E62 HydrophobicContact CH2-CB 4.36Å; W56-E62 HydrophobicContact CZ2-CB 3.98Å; Y58-E62 HydrophobicContact CD1-CG 4.02Å; Y58-E62 HydrophobicContact CG-CB 4.35Å; Y58-E62 HydrophobicContact CG-CG 4.23Å; S59-E62 VanDerWaalsContact CA-OE2 3.29Å; S59-E62 WeakPolarHBondContact CA-OE2 3.4Å; S59-E62 WeakPolarHBondContact CB-OE2 3.45Å; S59-E62 PolarHBondContact N-OE2 3.04Å; S59-E62 PolarHBondContact OG-OE2 3.34Å; A60-E62 PolarHBondContact O-N 3.21Å; E62-D64 PolarHBondContact O-N 2.82Å; E62-A65 WeakPolarHBondContact O-CB 3.37Å; E62-A65 PolarHBondContact O-N 2.98Å; E62-I112 HydrophobicContact CB-CD1 4.1Å
63	K	91.9	Very high	94.7	Very high	71 Å²	71	70.1 Å²	70.1	31%	0.309	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-66	-24.4	173.1	-61	-176.6	177.5	179.2	0	112.4	W56 A60 R61 A65 I66	W56-K63 HydrophobicContact CH2-CG 4.06Å; W56-K63 HydrophobicContact CZ2-CD 4.47Å; W56-K63 HydrophobicContact CZ2-CG 3.45Å; W56-K63 VanDerWaalsContact CZ2-CG 3.45Å; A60-K63 VanDerWaalsContact O-CB 3.31Å; A60-K63 WeakPolarHBondContact O-CB 3.31Å; A60-K63 PolarHBondContact O-N 3.34Å; R61-K63 PolarHBondContact O-N 3.37Å; K63-A65 PolarHBondContact O-N 3.44Å; K63-I66 WeakPolarHBondContact O-CB 3.28Å; K63-I66 PolarHBondContact O-N 3.48Å
64	D	92.8	Very high	94.9	Very high	142 Å²	142	68.5 Å²	68.5	76%	0.759	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-65.5	-20.1	177	-62.5	-26	0	0	0	112.3	R61 E62 I66	R61-D64 VanDerWaalsContact O-CB 3.32Å; R61-D64 WeakPolarHBondContact O-CB 3.36Å; R61-D64 PolarHBondContact O-N 2.73Å; R61-D64 VanDerWaalsContact O-N 3.08Å; E62-D64 PolarHBondContact O-N 2.82Å; D64-I66 VanDerWaalsContact C-N 3.26Å
65	A	95.5	Very high	95	Very high	31 Å²	31	75.1 Å²	75.1	26%	0.256	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-78.4	-10.9	173.6	0	0	0	0	0	113.1	E62 K63 V84 R85	E62-A65 WeakPolarHBondContact O-CB 3.37Å; E62-A65 PolarHBondContact O-N 2.98Å; K63-A65 PolarHBondContact O-N 3.44Å; A65-V84 WeakPolarHBondContact O-CA 3.46Å; A65-R85 PolarHBondContact O-N 3.38Å
66	I	97.1	Very high	95.2	Very high	18 Å²	18	71.7 Å²	71.7	9%	0.092	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.2	-175.6	-53.5	-177.8	0	0	0	109.9	L48 W56 K63 D64 M82 V84 I112	L48-I66 HydrophobicContact CD2-CB 4.46Å; L48-I66 HydrophobicContact CD2-CD1 4.38Å; L48-I66 HydrophobicContact CD2-CG2 3.83Å; W56-I66 HydrophobicContact CH2-CD1 3.72Å; W56-I66 HydrophobicContact CZ3-CD1 3.9Å; K63-I66 WeakPolarHBondContact O-CB 3.28Å; K63-I66 PolarHBondContact O-N 3.48Å; D64-I66 VanDerWaalsContact C-N 3.26Å; I66-M82 HydrophobicContact CG2-CE 3.98Å; I66-M82 HydrophobicContact CG2-CG 3.51Å; I66-M82 HydrophobicContact CG2-SD 3.83Å; I66-V84 HydrophobicContact CG1-CG1 4.26Å; I66-V84 HydrophobicContact CG1-CG2 4.24Å; I66-I112 HydrophobicContact CD1-CD1 4.06Å; I66-I112 HydrophobicContact CG1-CD1 4.35Å
67	E	97.1	Very high	95.4	Very high	48 Å²	48	70.5 Å²	70.5	22%	0.224	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.4	169.8	-172.5	-170.8	150.1	0	0	109.1	M82 F83 R85 R156 Y157	E67-M82 CarbonylContact O-C 3.15Å; E67-M82 WeakPolarHBondContact O-CA 3.22Å; E67-F83 PolarHBondContact N-O 3.01Å; E67-F83 PolarHBondContact O-N 3.26Å; E67-R85 IonicContact OE2-CZ 3.38Å; E67-R85 IonicContact OE2-NH1 3.01Å; E67-R85 PolarHBondContact OE2-NH1 3.45Å; E67-R85 IonicContact OE2-NH2 2.79Å; E67-R85 PolarHBondContact OE2-NH2 2.9Å; E67-R156 IonicContact OE1-CZ 3.58Å; E67-R156 IonicContact OE1-NE 3.23Å; E67-R156 PolarHBondContact OE1-NE 2.98Å; E67-R156 VanDerWaalsContact OE1-NE 3.16Å; E67-R156 IonicContact OE1-NH2 3.36Å; E67-R156 PolarHBondContact OE1-NH2 3.44Å; E67-Y157 PolarHBondContact OE1-OH 2.89Å; E67-Y157 WeakPolarHBondContact OE2-CE1 3.29Å; E67-Y157 PolarHBondContact OE2-OH 2.91Å
68	C	97.7	Very high	95.5	Very high	6 Å²	6	70.8 Å²	70.8	4%	0.041	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	156.1	174	-65.4	0	0	0	0	110.8	L37 W46 C81	L37-C68 HydrophobicContact CD1-CB 4.08Å; L37-C68 HydrophobicContact CD2-CB 3.47Å; L37-C68 VanDerWaalsContact CD2-CB 3.47Å; L37-C68 HydrophobicContact CG-CB 4.44Å; W46-C68 VanDerWaalsContact CB-O 3.23Å; W46-C68 WeakPolarHBondContact CB-O 3.24Å; C68-C81 CarbonylContact C-O 3.55Å; C68-C81 WeakPolarHBondContact CA-O 3.27Å
69	F	97.6	Very high	95.8	Very high	12 Å²	12	67.2 Å²	67.2	5%	0.053	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	170	169.6	62.6	-80	0	0	0	110.4	W46 C81 F123 A152 Y157	W46-F69 HydrophobicContact CG-CB 4.31Å; F69-C81 HydrophobicContact CD1-CB 4.2Å; F69-C81 HydrophobicContact CD2-CB 4.44Å; F69-C81 HydrophobicContact CE1-CB 3.72Å; F69-C81 HydrophobicContact CE2-CB 4.01Å; F69-C81 HydrophobicContact CZ-CB 3.61Å; F69-C81 PolarHBondContact N-O 2.9Å; F69-C81 PolarHBondContact O-N 2.88Å; F69-F123 AromaticContact CE1-CE2 3.87Å; F69-F123 HydrophobicContact CE1-CE2 3.87Å; F69-F123 HydrophobicContact CE1-CZ 4.3Å; F69-F123 AromaticContact CZ-CE2 3.91Å; F69-F123 HydrophobicContact CZ-CE2 3.91Å; F69-F123 AromaticContact CZ-CZ 3.93Å; F69-F123 HydrophobicContact CZ-CZ 3.93Å; F69-A152 HydrophobicContact CE2-CB 3.92Å; F69-A152 HydrophobicContact CZ-CB 3.86Å; F69-Y157 AromaticContact CE1-CE2 3.89Å; F69-Y157 HydrophobicContact CE1-CE2 3.89Å; F69-Y157 AromaticContact CE1-CZ 3.99Å; F69-Y157 WeakPolarHBondContact CE1-OH 3.42Å; F69-Y157 HydrophobicContact CZ-CE2 4.25Å
70	M	97.6	Very high	96.1	Very high	36 Å²	36	64.2 Å²	64.2	18%	0.177	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.2	172.5	-58.4	-62.8	-69.3	0	0	110.7	L37 W46 R78 I79 A80 A132	L37-M70 HydrophobicContact CD1-SD 3.81Å; W46-M70 HydrophobicContact CE3-CG 4.3Å; W46-M70 HydrophobicContact CH2-CB 3.98Å; W46-M70 HydrophobicContact CH2-CG 3.34Å; W46-M70 HydrophobicContact CZ2-CB 3.9Å; W46-M70 HydrophobicContact CZ2-CG 3.72Å; W46-M70 HydrophobicContact CZ3-CG 3.66Å; M70-R78 HydrophobicContact CE-CB 3.94Å; M70-I79 CarbonylContact C-O 3.49Å; M70-I79 VanDerWaalsContact CA-O 3.29Å; M70-I79 WeakPolarHBondContact CA-O 3.49Å; M70-I79 VanDerWaalsContact CE-C 3.49Å; M70-A80 HydrophobicContact CE-CB 4.35Å; M70-A80 WeakPolarHBondContact SD-CA 3.21Å; M70-A80 HydrophobicContact SD-CB 3.66Å; M70-A132 WeakPolarHBondContact CE-O 3.42Å
71	T	97.3	Very high	96.7	Very high	29 Å²	29	60.5 Å²	60.5	18%	0.178	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	156.3	170	-169.8	0	0	0	0	111.3	R78 I79 A148	T71-R78 CarbonylContact O-C 3.48Å; T71-R78 VanDerWaalsContact O-CA 3.29Å; T71-R78 WeakPolarHBondContact O-CA 3.48Å; T71-I79 HydrophobicContact CG2-CD1 3.96Å; T71-I79 HydrophobicContact CG2-CG1 3.53Å; T71-I79 PolarHBondContact N-O 3.5Å; T71-I79 PolarHBondContact O-N 3.43Å; T71-A148 HydrophobicContact CG2-CB 3.97Å
72	R	98.2	Very high	97.1	Very high	164 Å²	164	51.3 Å²	51.3	62%	0.619	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.7	179.5	178.4	176.8	-91.6	-83.2	-2.5	109.9	G76 N77	R72-G76 PolarHBondContact NH1-O 3.32Å; R72-N77 CarbonylContact C-O 3.28Å; R72-N77 WeakPolarHBondContact CA-O 3.44Å
73	T	98.8	Very high	97.4	Very high	6 Å²	6	48.5 Å²	48.5	4%	0.037	24%	0.241	C	C	.	.			trans	-88.8	160.4	177.4	77.2	0	0	0	0	111.4	R75 G76 N77 I79 D145 A148	T73-R75 PolarHBondContact O-N 3.45Å; T73-R75 VanDerWaalsContact O-N 3.1Å; T73-R75 PolarHBondContact OG1-N 3.21Å; T73-G76 PolarHBondContact O-N 3.15Å; T73-N77 HydrophobicContact CG2-CB 4.46Å; T73-N77 PolarHBondContact N-O 2.94Å; T73-N77 PolarHBondContact OG1-N 3.39Å; T73-I79 HydrophobicContact CG2-CD1 4.07Å; T73-I79 HydrophobicContact CG2-CG1 4.06Å; T73-I79 HydrophobicContact CG2-CG2 3.81Å; T73-D145 WeakPolarHBondContact CG2-OD1 3.43Å; T73-A148 HydrophobicContact CG2-CB 3.92Å
74	S	98.4	Very high	97.7	Very high	108 Å²	108	45.1 Å²	45.1	76%	0.755	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.8	175.5	59.8	0	0	0	0	113.1
75	R	97.9	Very high	97.9	Very high	140 Å²	140	43.4 Å²	43.4	53%	0.528	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	5.7	176.6	-62.5	-170.6	63	72.3	11.7	113.7	T73 K140 N141 A144	T73-R75 PolarHBondContact O-N 3.45Å; T73-R75 VanDerWaalsContact O-N 3.1Å; T73-R75 PolarHBondContact OG1-N 3.21Å; R75-K140 WeakPolarHBondContact CD-O 3.29Å; R75-N141 WeakPolarHBondContact CD-OD1 3.48Å; R75-N141 PolarHBondContact NE-OD1 3.13Å; R75-A144 HydrophobicContact CB-CB 4.21Å; R75-A144 HydrophobicContact CG-CB 3.64Å
76	G	97.9	Very high	98	Very high	33 Å²	33	42.9 Å²	42.9	34%	0.34	20%	0.204	S	C	.	.	S	Bend	trans	86.2	3.2	171	0	0	0	0	0	115.5	R72 T73	R72-G76 PolarHBondContact NH1-O 3.32Å; T73-G76 PolarHBondContact O-N 3.15Å
77	N	98.4	Very high	97.7	Very high	25 Å²	25	42.7 Å²	42.7	13%	0.134	20%	0.204	C	C	.	.			trans	-78.1	155.2	172	-58.9	-33.3	0	0	0	110	R72 T73 S128 N141	R72-N77 CarbonylContact C-O 3.28Å; R72-N77 WeakPolarHBondContact CA-O 3.44Å; T73-N77 HydrophobicContact CG2-CB 4.46Å; T73-N77 PolarHBondContact N-O 2.94Å; T73-N77 PolarHBondContact OG1-N 3.39Å; N77-S128 WeakPolarHBondContact CB-OG 3.4Å; N77-S128 WeakPolarHBondContact ND2-CB 3.41Å; N77-S128 PolarHBondContact ND2-OG 3.16Å; N77-N141 PolarHBondContact ND2-ND2 2.96Å
78	R	98.2	Very high	97.2	Very high	142 Å²	142	47.1 Å²	47.1	54%	0.536	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.5	162.5	-71.1	177.3	145.2	-172.6	-6	109	M70 T71 S133 S134	M70-R78 HydrophobicContact CE-CB 3.94Å; T71-R78 CarbonylContact O-C 3.48Å; T71-R78 VanDerWaalsContact O-CA 3.29Å; T71-R78 WeakPolarHBondContact O-CA 3.48Å; R78-S133 WeakPolarHBondContact O-CA 3.28Å; R78-S134 PolarHBondContact N-OG 3.4Å; R78-S134 PolarHBondContact O-N 3.2Å; R78-S134 PolarHBondContact O-OG 2.93Å
79	I	98.7	Very high	96.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147	175	63.9	173.3	0	0	0	110.9	M70 T71 T73 Y125 D126 S133 D145 A148	M70-I79 CarbonylContact C-O 3.49Å; M70-I79 VanDerWaalsContact CA-O 3.29Å; M70-I79 WeakPolarHBondContact CA-O 3.49Å; M70-I79 VanDerWaalsContact CE-C 3.49Å; T71-I79 HydrophobicContact CG2-CD1 3.96Å; T71-I79 HydrophobicContact CG2-CG1 3.53Å; T71-I79 PolarHBondContact N-O 3.5Å; T71-I79 PolarHBondContact O-N 3.43Å; T73-I79 HydrophobicContact CG2-CD1 4.07Å; T73-I79 HydrophobicContact CG2-CG1 4.06Å; T73-I79 HydrophobicContact CG2-CG2 3.81Å; I79-Y125 HydrophobicContact CD1-CD2 4.09Å; I79-D126 WeakPolarHBondContact CB-O 3.27Å; I79-S133 VanDerWaalsContact CA-OG 3.23Å; I79-S133 WeakPolarHBondContact CA-OG 3.42Å; I79-D145 HydrophobicContact CD1-CB 3.97Å; I79-D145 WeakPolarHBondContact CD1-O 3.28Å; I79-D145 HydrophobicContact CG2-CB 4.35Å; I79-D145 WeakPolarHBondContact CG2-OD1 3.15Å; I79-A148 HydrophobicContact CD1-CB 4.11Å
80	A	98.6	Very high	96.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	138.3	171.9	0	0	0	0	0	110.5	Y35 L37 M70 L104 Y125 D126 A132 S133	Y35-A80 WeakPolarHBondContact OH-CB 3.27Å; L37-A80 HydrophobicContact CD1-CB 3.85Å; M70-A80 HydrophobicContact CE-CB 4.35Å; M70-A80 WeakPolarHBondContact SD-CA 3.21Å; M70-A80 HydrophobicContact SD-CB 3.66Å; A80-L104 HydrophobicContact CB-CD1 4.02Å; A80-Y125 CarbonylContact O-C 3.56Å; A80-Y125 WeakPolarHBondContact O-CA 3.43Å; A80-Y125 WeakPolarHBondContact O-CB 3.3Å; A80-D126 PolarHBondContact O-N 2.83Å; A80-A132 HydrophobicContact CB-CB 4.19Å; A80-S133 PolarHBondContact N-OG 3.43Å
81	C	98.7	Very high	96.6	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.2	172.5	-62.6	0	0	0	0	109.5	C68 F69 F123 S124	C68-C81 CarbonylContact C-O 3.55Å; C68-C81 WeakPolarHBondContact CA-O 3.27Å; F69-C81 HydrophobicContact CD1-CB 4.2Å; F69-C81 HydrophobicContact CD2-CB 4.44Å; F69-C81 HydrophobicContact CE1-CB 3.72Å; F69-C81 HydrophobicContact CE2-CB 4.01Å; F69-C81 HydrophobicContact CZ-CB 3.61Å; F69-C81 PolarHBondContact N-O 2.9Å; F69-C81 PolarHBondContact O-N 2.88Å; C81-F123 HydrophobicContact CB-CE1 4.49Å; C81-F123 HydrophobicContact CB-CE2 4.15Å; C81-F123 HydrophobicContact CB-CZ 3.71Å; C81-S124 CarbonylContact C-O 3.27Å; C81-S124 WeakPolarHBondContact CA-O 3.26Å
82	M	98.6	Very high	96.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.9	178.1	179.2	-179	-73.2	0	0	109.2	L48 I66 E67 V84 L104 Y111 F123 S124	L48-M82 HydrophobicContact CD1-CE 4.47Å; L48-M82 HydrophobicContact CD2-CE 3.92Å; I66-M82 HydrophobicContact CG2-CE 3.98Å; I66-M82 HydrophobicContact CG2-CG 3.51Å; I66-M82 HydrophobicContact CG2-SD 3.83Å; E67-M82 CarbonylContact O-C 3.15Å; E67-M82 WeakPolarHBondContact O-CA 3.22Å; M82-V84 HydrophobicContact CG-CG2 3.93Å; M82-V84 HydrophobicContact SD-CG2 3.98Å; M82-L104 HydrophobicContact CB-CD1 3.96Å; M82-L104 HydrophobicContact CB-CD2 4.05Å; M82-L104 HydrophobicContact CB-CG 4.47Å; M82-L104 HydrophobicContact CE-CB 3.95Å; M82-L104 WeakPolarHBondContact CE-O 3.43Å; M82-Y111 HydrophobicContact SD-CD2 4.12Å; M82-Y111 HydrophobicContact SD-CE2 4.49Å; M82-F123 CarbonylContact O-C 3.57Å; M82-F123 WeakPolarHBondContact O-CA 3.37Å; M82-S124 PolarHBondContact N-O 3.16Å; M82-S124 PolarHBondContact O-N 3.17Å
83	F	98.6	Very high	96.6	Very high	7 Å²	7	48.3 Å²	48.3	3%	0.031	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	116.2	171.2	-168.1	-161.4	0	0	0	110.4	E67 R85 T93 N121 V122 F123 Y157 I159	E67-F83 PolarHBondContact N-O 3.01Å; E67-F83 PolarHBondContact O-N 3.26Å; F83-R85 HydrophobicContact CE1-CG 4.36Å; F83-R85 HydrophobicContact CZ-CG 4.43Å; F83-T93 HydrophobicContact CE2-CG2 3.81Å; F83-T93 HydrophobicContact CZ-CG2 4.45Å; F83-N121 HydrophobicContact CE2-CB 3.59Å; F83-N121 HydrophobicContact CZ-CB 4.11Å; F83-V122 WeakPolarHBondContact CD2-O 3.33Å; F83-F123 HydrophobicContact CB-CD2 3.78Å; F83-F123 HydrophobicContact CB-CE2 4.33Å; F83-F123 HydrophobicContact CD2-CB 4.05Å; F83-F123 HydrophobicContact CD2-CD2 4.13Å; F83-F123 HydrophobicContact CE2-CB 4.5Å; F83-F123 HydrophobicContact CG-CD2 4.01Å; F83-Y157 HydrophobicContact CB-CE2 4.27Å; F83-Y157 AromaticContact CD1-CD1 3.7Å; F83-Y157 HydrophobicContact CD1-CD1 3.7Å; F83-Y157 AromaticContact CD1-CD2 3.96Å; F83-Y157 HydrophobicContact CD1-CD2 3.96Å; F83-Y157 AromaticContact CD1-CE1 3.52Å; F83-Y157 HydrophobicContact CD1-CE1 3.52Å; F83-Y157 AromaticContact CD1-CE2 3.79Å; F83-Y157 HydrophobicContact CD1-CE2 3.79Å; F83-Y157 AromaticContact CD1-CG 3.91Å; F83-Y157 HydrophobicContact CD1-CG 3.91Å; F83-Y157 AromaticContact CD1-CZ 3.55Å; F83-Y157 AromaticContact CE1-CD1 3.74Å; F83-Y157 HydrophobicContact CE1-CD1 3.74Å; F83-Y157 HydrophobicContact CE1-CD2 4.21Å; F83-Y157 HydrophobicContact CE1-CE1 4.06Å; F83-Y157 HydrophobicContact CE1-CE2 4.48Å; F83-Y157 AromaticContact CE1-CG 3.82Å; F83-Y157 HydrophobicContact CE1-CG 3.82Å; F83-Y157 HydrophobicContact CG-CE2 4.29Å; F83-I159 HydrophobicContact CE1-CD1 4.27Å; F83-I159 HydrophobicContact CE2-CD1 4.46Å; F83-I159 HydrophobicContact CZ-CD1 3.77Å
84	V	98.4	Very high	96.7	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114.6	178	-168.1	0	0	0	0	109	A65 I66 M82 C86 Y111 I112 V122	A65-V84 WeakPolarHBondContact O-CA 3.46Å; I66-V84 HydrophobicContact CG1-CG1 4.26Å; I66-V84 HydrophobicContact CG1-CG2 4.24Å; M82-V84 HydrophobicContact CG-CG2 3.93Å; M82-V84 HydrophobicContact SD-CG2 3.98Å; V84-C86 WeakPolarHBondContact CG1-SG 3.35Å; V84-C86 PolarHBondContact O-N 3.25Å; V84-Y111 HydrophobicContact CG2-CD2 4.42Å; V84-I112 HydrophobicContact CG1-CD1 4.38Å; V84-I112 HydrophobicContact CG1-CG1 3.44Å; V84-I112 VanDerWaalsContact CG1-CG1 3.44Å; V84-V122 HydrophobicContact CB-CB 4.39Å; V84-V122 PolarHBondContact N-O 2.92Å; V84-V122 PolarHBondContact O-N 2.83Å
85	R	97.8	Very high	96.7	Very high	105 Å²	105	43 Å²	43	40%	0.396	21%	0.213	S	C	.	.			trans	-87.4	84.8	175.9	-69.5	176.5	-176.1	75.8	-7.5	109.9	A65 E67 F83 N121	A65-R85 PolarHBondContact O-N 3.38Å; E67-R85 IonicContact OE2-CZ 3.38Å; E67-R85 IonicContact OE2-NH1 3.01Å; E67-R85 PolarHBondContact OE2-NH1 3.45Å; E67-R85 IonicContact OE2-NH2 2.79Å; E67-R85 PolarHBondContact OE2-NH2 2.9Å; F83-R85 HydrophobicContact CE1-CG 4.36Å; F83-R85 HydrophobicContact CZ-CG 4.43Å; R85-N121 WeakPolarHBondContact CA-OD1 3.48Å
86	C	95.8	Very high	96.7	Very high	21 Å²	21	36.4 Å²	36.4	14%	0.142	19%	0.188	C	C	.	.			trans	-80.3	-21.9	-172.8	-47.2	0	0	0	0	113.5	V84 Y111 G115 C120 N121	V84-C86 WeakPolarHBondContact CG1-SG 3.35Å; V84-C86 PolarHBondContact O-N 3.25Å; C86-Y111 PolarHBondContact SG-O 3.3Å; C86-G115 VanDerWaalsContact CB-C 3.47Å; C86-C120 WeakPolarHBondContact CB-O 3.5Å; C86-N121 PolarHBondContact N-OD1 2.99Å; C86-N121 VanDerWaalsContact N-OD1 3.12Å
87	S	90.6	Very high	96.8	Very high	14 Å²	14	34.8 Å²	34.8	10%	0.098	17%	0.172	C	C	.	.			trans	-145	137.4	179.6	168.9	0	0	0	0	112.6	N89 A90 N119 N121	S87-N89 PolarHBondContact O-N 3.22Å; S87-N89 PolarHBondContact OG-N 2.92Å; S87-N89 PolarHBondContact OG-OD1 3.34Å; S87-A90 PolarHBondContact O-N 3.36Å; S87-A90 PolarHBondContact OG-N 3.25Å; S87-N119 WeakPolarHBondContact CB-OD1 3.38Å; S87-N119 PolarHBondContact OG-OD1 2.81Å; S87-N121 PolarHBondContact N-OD1 3.1Å; S87-N121 PolarHBondContact O-OD1 2.94Å
88	P	87.3	Confident	96.8	Very high	140 Å²	140	33.6 Å²	33.6	91%	0.909	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.9	179.9	29.3	-35.9	0	0	0	113.4
89	N	92.3	Very high	96.7	Very high	115 Å²	115	27.1 Å²	27.1	62%	0.615	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.7	26.8	-179.6	67.6	-23.7	0	0	0	112.3	S87 R91 N119	S87-N89 PolarHBondContact O-N 3.22Å; S87-N89 PolarHBondContact OG-N 2.92Å; S87-N89 PolarHBondContact OG-OD1 3.34Å; N89-R91 PolarHBondContact O-N 3.13Å; N89-N119 PolarHBondContact OD1-OD1 3.23Å
90	A	94.7	Very high	96.5	Very high	23 Å²	23	29 Å²	29	19%	0.19	15%	0.153	C	C	.	.			trans	-56.3	120.9	174.1	0	0	0	0	0	110.7	S87	S87-A90 PolarHBondContact O-N 3.36Å; S87-A90 PolarHBondContact OG-N 3.25Å
91	R	93.3	Very high	96.2	Very high	123 Å²	123	31.5 Å²	31.5	46%	0.464	17%	0.173	S	C	.	.	S	Bend	trans	-76.4	-35.6	174.4	175.7	175.4	168.1	141.9	-4.6	111.8	N89 S289	N89-R91 PolarHBondContact O-N 3.13Å; R91-S289 VanDerWaalsContact NH2-CB 3.34Å; R91-S289 PolarHBondContact NH2-OG 2.95Å
92	F	98.1	Very high	96.1	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	153.3	-175.5	-59.9	-75.3	0	0	0	111.3	C120 N121 T163 I165 A186 V281 L285	F92-C120 WeakPolarHBondContact O-CA 3.43Å; F92-N121 PolarHBondContact O-N 3.18Å; F92-N121 VanDerWaalsContact O-N 3.1Å; F92-T163 VanDerWaalsContact CA-O 3.29Å; F92-T163 WeakPolarHBondContact CA-O 3.48Å; F92-I165 HydrophobicContact CB-CD1 3.8Å; F92-I165 HydrophobicContact CB-CG1 4.17Å; F92-I165 HydrophobicContact CD1-CD1 4.42Å; F92-I165 HydrophobicContact CD1-CG1 4.35Å; F92-I165 HydrophobicContact CD2-CD1 4.41Å; F92-I165 HydrophobicContact CG-CD1 3.99Å; F92-I165 HydrophobicContact CG-CG1 4.35Å; F92-A186 HydrophobicContact CD1-CB 3.95Å; F92-A186 HydrophobicContact CE1-CB 3.83Å; F92-V281 HydrophobicContact CD2-CG1 3.84Å; F92-V281 HydrophobicContact CE2-CG1 4.39Å; F92-L285 HydrophobicContact CE2-CB 4.11Å; F92-L285 HydrophobicContact CE2-CD1 4.43Å; F92-L285 HydrophobicContact CZ-CB 3.81Å; F92-L285 HydrophobicContact CZ-CD1 4.32Å
93	T	98.8	Very high	96.1	Very high	8 Å²	8	33.1 Å²	33.1	5%	0.049	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.3	169.3	-59.6	0	0	0	0	109.1	F83 N121 F123 L153 I159 T163 V164 I165	F83-T93 HydrophobicContact CE2-CG2 3.81Å; F83-T93 HydrophobicContact CZ-CG2 4.45Å; T93-N121 CarbonylContact C-O 3.55Å; T93-N121 WeakPolarHBondContact CA-O 3.36Å; T93-N121 HydrophobicContact CG2-CB 4.13Å; T93-F123 HydrophobicContact CG2-CB 4.05Å; T93-L153 HydrophobicContact CG2-CD1 4.12Å; T93-I159 HydrophobicContact CG2-CD1 4.16Å; T93-T163 PolarHBondContact N-O 2.85Å; T93-V164 WeakPolarHBondContact O-CA 3.14Å; T93-I165 PolarHBondContact O-N 3.38Å
94	L	98.9	Very high	96.1	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126.6	170.6	-51.7	-171	0	0	0	108.8	F96 L114 I118 C120 N121 V122 F123 I165 Y167	L94-F96 HydrophobicContact CD1-CD2 4.28Å; L94-L114 HydrophobicContact CD1-CD2 3.87Å; L94-L114 HydrophobicContact CD1-CG 4.47Å; L94-I118 HydrophobicContact CD1-CD1 4.05Å; L94-I118 HydrophobicContact CD2-CD1 4.37Å; L94-C120 HydrophobicContact CD2-CB 4.23Å; L94-C120 HydrophobicContact CG-CB 4.13Å; L94-N121 PolarHBondContact N-O 2.83Å; L94-V122 HydrophobicContact CB-CG1 4.42Å; L94-V122 HydrophobicContact CB-CG2 4.47Å; L94-V122 HydrophobicContact CD1-CG2 4.09Å; L94-V122 HydrophobicContact CG-CG2 4.35Å; L94-F123 WeakPolarHBondContact O-CA 3.33Å; L94-F123 PolarHBondContact O-N 3.3Å; L94-F123 VanDerWaalsContact O-O 3.1Å; L94-I165 CarbonylContact C-O 3.56Å; L94-I165 VanDerWaalsContact CA-O 3.3Å; L94-I165 WeakPolarHBondContact CA-O 3.47Å; L94-I165 HydrophobicContact CD2-CB 3.78Å; L94-I165 HydrophobicContact CD2-CD1 4.04Å; L94-I165 HydrophobicContact CD2-CG1 4.45Å; L94-I165 HydrophobicContact CD2-CG2 4.05Å; L94-Y167 HydrophobicContact CD1-CD2 4.48Å
95	L	98.9	Very high	96.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	98.4	157	171.7	59.2	0	0	0	107	F123 Y125 V146 A149 W150 L153 V164 I165 Y167 L179	L95-F123 CarbonylContact C-O 3.57Å; L95-F123 WeakPolarHBondContact CA-O 3.22Å; L95-F123 HydrophobicContact CD1-CD1 3.64Å; L95-F123 HydrophobicContact CD1-CE1 4.18Å; L95-Y125 HydrophobicContact CD1-CD1 4.1Å; L95-Y125 HydrophobicContact CD1-CE1 4.01Å; L95-V146 HydrophobicContact CD2-CG2 4.39Å; L95-A149 HydrophobicContact CD1-CB 4.14Å; L95-W150 HydrophobicContact CD2-CB 4.21Å; L95-W150 HydrophobicContact CD2-CE3 3.76Å; L95-L153 HydrophobicContact CB-CD2 4.2Å; L95-V164 HydrophobicContact CB-CG1 3.73Å; L95-I165 PolarHBondContact N-O 3.47Å; L95-Y167 PolarHBondContact O-N 3.19Å; L95-L179 HydrophobicContact CD2-CD2 3.63Å
96	F	98.9	Very high	96.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.2	-170.5	-158.6	-71.5	0	0	0	111.1	L94 H98 M107 F110 Y111 L114 V122 F123 S124 Y167 Q169	L94-F96 HydrophobicContact CD1-CD2 4.28Å; F96-H98 HydrophobicContact CD1-CB 4.4Å; F96-H98 HydrophobicContact CE1-CB 4.4Å; F96-M107 HydrophobicContact CE1-CE 4.07Å; F96-M107 HydrophobicContact CZ-CE 4.38Å; F96-F110 AromaticContact CE2-CE1 3.86Å; F96-F110 HydrophobicContact CE2-CE1 3.86Å; F96-F110 AromaticContact CZ-CE1 3.77Å; F96-F110 HydrophobicContact CZ-CE1 3.77Å; F96-Y111 HydrophobicContact CB-CE1 4.29Å; F96-Y111 AromaticContact CD1-CE1 3.64Å; F96-Y111 HydrophobicContact CD1-CE1 3.64Å; F96-Y111 HydrophobicContact CD2-CE1 4.18Å; F96-Y111 AromaticContact CE1-CE1 3.94Å; F96-Y111 HydrophobicContact CE1-CE1 3.94Å; F96-Y111 HydrophobicContact CE2-CE1 4.44Å; F96-Y111 AromaticContact CG-CE1 3.78Å; F96-Y111 HydrophobicContact CG-CE1 3.78Å; F96-Y111 HydrophobicContact CZ-CE1 4.33Å; F96-L114 HydrophobicContact CD2-CD2 4.49Å; F96-L114 HydrophobicContact CE2-CD2 3.99Å; F96-V122 HydrophobicContact CB-CG1 4.03Å; F96-F123 PolarHBondContact N-O 3.34Å; F96-S124 PolarHBondContact O-OG 3.13Å; F96-Y167 CarbonylContact C-O 3.54Å; F96-Y167 WeakPolarHBondContact CA-O 3.27Å; F96-Y167 HydrophobicContact CD1-CD1 4.37Å; F96-Y167 AromaticContact CD2-CD1 3.46Å; F96-Y167 HydrophobicContact CD2-CD1 3.46Å; F96-Y167 VanDerWaalsContact CD2-CD1 3.46Å; F96-Y167 HydrophobicContact CD2-CD2 4.32Å; F96-Y167 HydrophobicContact CD2-CE1 4.07Å; F96-Y167 AromaticContact CD2-CG 3.64Å; F96-Y167 HydrophobicContact CD2-CG 3.64Å; F96-Y167 HydrophobicContact CE1-CD1 4.11Å; F96-Y167 HydrophobicContact CE1-CE1 4.28Å; F96-Y167 AromaticContact CE2-CD1 3.14Å; F96-Y167 HydrophobicContact CE2-CD1 3.14Å; F96-Y167 HydrophobicContact CE2-CD2 4.16Å; F96-Y167 AromaticContact CE2-CE1 3.26Å; F96-Y167 HydrophobicContact CE2-CE1 3.26Å; F96-Y167 HydrophobicContact CE2-CE2 4.23Å; F96-Y167 AromaticContact CE2-CG 3.66Å; F96-Y167 HydrophobicContact CE2-CG 3.66Å; F96-Y167 AromaticContact CE2-CZ 3.83Å; F96-Y167 HydrophobicContact CG-CD1 4.08Å; F96-Y167 HydrophobicContact CG-CG 4.41Å; F96-Y167 AromaticContact CZ-CD1 3.51Å; F96-Y167 HydrophobicContact CZ-CD1 3.51Å; F96-Y167 AromaticContact CZ-CE1 3.39Å; F96-Y167 HydrophobicContact CZ-CE1 3.39Å; F96-Y167 HydrophobicContact CZ-CG 4.45Å; F96-Q169 HydrophobicContact CE1-CB 4.35Å; F96-Q169 HydrophobicContact CZ-CB 4.41Å
97	S	98.9	Very high	96.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	108.7	169.3	-54.3	0	0	0	0	108.2	Y125 Y127 Y167 Q169 G172 S176	S97-Y125 PolarHBondContact OG-OH 2.8Å; S97-Y127 VanDerWaalsContact C-OH 3.31Å; S97-Y167 PolarHBondContact N-O 3.45Å; S97-Q169 PolarHBondContact O-N 3.09Å; S97-Q169 VanDerWaalsContact O-N 3.1Å; S97-G172 WeakPolarHBondContact CB-O 3.39Å; S97-S176 PolarHBondContact OG-OG 3.03Å; S97-S176 VanDerWaalsContact OG-OG 3.07Å
98	H	98.6	Very high	96.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.			trans	-72	165.1	-171.8	66.4	80.1	0	0	0	114.2	F96 V102 M107 Y125 D126 Y127 Y130	F96-H98 HydrophobicContact CD1-CB 4.4Å; F96-H98 HydrophobicContact CE1-CB 4.4Å; H98-V102 HydrophobicContact CB-CG2 4.1Å; H98-V102 PolarHBondContact CE1-O 3.23Å; H98-V102 VanDerWaalsContact CE1-O 3.27Å; H98-M107 HydrophobicContact CB-CG 4.26Å; H98-Y125 PolarHBondContact CD2-O 3.43Å; H98-Y125 PolarHBondContact NE2-O 3.1Å; H98-D126 IonicContact CE1-OD1 3.92Å; H98-D126 IonicContact NE2-OD1 3.3Å; H98-D126 PolarHBondContact NE2-OD1 2.92Å; H98-Y127 AromaticContact CE1-CD2 3.58Å; H98-Y127 AromaticContact CE1-CE2 3.43Å; H98-Y127 VanDerWaalsContact CE1-CE2 3.43Å; H98-Y127 WeakPolarHBondContact CE1-CE2 3.48Å; H98-Y127 PolarHBondContact N-OH 3.24Å; H98-Y127 AromaticContact ND1-CE2 3.73Å; H98-Y127 AromaticContact NE2-CD2 3.83Å; H98-Y127 AromaticContact NE2-CE2 3.76Å; H98-Y127 WeakPolarHBondContact O-CE2 3.35Å; H98-Y127 PolarHBondContact O-OH 2.8Å; H98-Y130 AromaticContact CE1-CD1 3.88Å
99	G	96.3	Very high	97	Very high	5 Å²	5	23.8 Å²	23.8	5%	0.052	13%	0.129	C	C	.	.			trans	-66.7	179.7	175.6	0	0	0	0	0	113.7	V102 Q169	G99-V102 WeakPolarHBondContact O-CG2 3.48Å; G99-Q169 WeakPolarHBondContact CA-O 3.42Å
100	N	94.2	Very high	97.3	Very high	41 Å²	41	20.8 Å²	20.8	22%	0.219	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	167.8	170.7	-162.1	13	0	0	0	110.6	A27 L29 V102 Y130 I171	A27-N100 PolarHBondContact O-ND2 3.12Å; L29-N100 PolarHBondContact N-OD1 3.48Å; N100-V102 PolarHBondContact O-N 3.07Å; N100-Y130 PolarHBondContact OD1-OH 3.01Å; N100-I171 HydrophobicContact CB-CG2 3.95Å
101	A	93.4	Very high	97.4	Very high	52 Å²	52	19.7 Å²	19.7	43%	0.43	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	15.6	172.7	0	0	0	0	0	116.8	L29	L29-A101 HydrophobicContact CB-CB 4.46Å; L29-A101 WeakPolarHBondContact O-CA 3.41Å; L29-A101 PolarHBondContact O-N 2.88Å
102	V	96.1	Very high	97.6	Very high	34 Å²	34	14.4 Å²	14.4	21%	0.206	8%	0.082	C	C	.	.			trans	-129.5	157.7	172.9	-61.6	0	0	0	0	110.1	H98 G99 N100 M107 Y130	H98-V102 HydrophobicContact CB-CG2 4.1Å; H98-V102 PolarHBondContact CE1-O 3.23Å; H98-V102 VanDerWaalsContact CE1-O 3.27Å; G99-V102 WeakPolarHBondContact O-CG2 3.48Å; N100-V102 PolarHBondContact O-N 3.07Å; V102-M107 HydrophobicContact CB-CG 4.16Å; V102-M107 HydrophobicContact CB-SD 4.13Å; V102-M107 HydrophobicContact CG1-SD 4.36Å; V102-M107 HydrophobicContact CG2-CG 3.91Å; V102-M107 HydrophobicContact CG2-SD 3.86Å; V102-Y130 WeakPolarHBondContact O-CD1 3.17Å
103	D	98.4	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.083	C	C	.	.			trans	-124.3	174	168.9	73.6	5.4	0	0	0	111.3	P31 T34 Y35 G105 Q106 M107 D126	P31-D103 HydrophobicContact CG-CB 4.1Å; T34-D103 PolarHBondContact N-OD2 3Å; T34-D103 PolarHBondContact OG1-OD1 2.86Å; T34-D103 PolarHBondContact OG1-OD2 3.06Å; Y35-D103 WeakPolarHBondContact CD1-OD2 3.31Å; Y35-D103 HydrophobicContact CE1-CB 4.14Å; D103-G105 PolarHBondContact O-N 3.26Å; D103-G105 VanDerWaalsContact O-N 3.15Å; D103-G105 WeakPolarHBondContact OD1-CA 3.01Å; D103-G105 PolarHBondContact OD1-N 3.15Å; D103-Q106 PolarHBondContact O-N 3.11Å; D103-Q106 PolarHBondContact OD1-N 3.31Å; D103-M107 WeakPolarHBondContact O-CG 3.12Å; D103-M107 PolarHBondContact O-N 2.87Å; D103-M107 VanDerWaalsContact O-N 3.1Å; D103-D126 VanDerWaalsContact CA-OD1 3.31Å; D103-D126 WeakPolarHBondContact CA-OD1 3.25Å
104	L	98.6	Very high	97.5	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-55.3	-30.3	178.2	-71.8	177.4	0	0	0	114.2	Y35 A80 M82 S108 Y111 S124 D126	Y35-L104 HydrophobicContact CE1-CB 3.85Å; A80-L104 HydrophobicContact CB-CD1 4.02Å; M82-L104 HydrophobicContact CB-CD1 3.96Å; M82-L104 HydrophobicContact CB-CD2 4.05Å; M82-L104 HydrophobicContact CB-CG 4.47Å; M82-L104 HydrophobicContact CE-CB 3.95Å; M82-L104 WeakPolarHBondContact CE-O 3.43Å; L104-S108 PolarHBondContact O-N 3Å; L104-S108 VanDerWaalsContact O-N 3.11Å; L104-Y111 HydrophobicContact CD2-CE2 4.07Å; L104-S124 VanDerWaalsContact CD2-OG 3.28Å; L104-S124 WeakPolarHBondContact CD2-OG 3.43Å; L104-D126 HydrophobicContact CD1-CB 4.36Å; L104-D126 HydrophobicContact CG-CB 4.34Å; L104-D126 PolarHBondContact N-OD1 3.35Å
105	G	98.1	Very high	97.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.9	-52	178.7	0	0	0	0	0	111.1	T34 D103 M107 S108	T34-G105 WeakPolarHBondContact OG1-CA 3.29Å; D103-G105 PolarHBondContact O-N 3.26Å; D103-G105 VanDerWaalsContact O-N 3.15Å; D103-G105 WeakPolarHBondContact OD1-CA 3.01Å; D103-G105 PolarHBondContact OD1-N 3.15Å; G105-M107 VanDerWaalsContact C-N 3.29Å; G105-M107 PolarHBondContact O-N 3.02Å; G105-S108 WeakPolarHBondContact O-CB 3.46Å; G105-S108 PolarHBondContact O-N 2.88Å; G105-S108 PolarHBondContact O-OG 2.97Å
106	Q	97.4	Very high	97.3	Very high	69 Å²	69	17.1 Å²	17.1	32%	0.322	10%	0.102	S	C	.	.	H	α-helix	trans	-63.2	-35.9	177.5	-64.8	179.3	-74.1	0	0	112.3	T34 D103 S108	T34-Q106 HydrophobicContact CG2-CG 3.46Å; T34-Q106 VanDerWaalsContact CG2-CG 3.46Å; T34-Q106 PolarHBondContact OG1-N 2.99Å; D103-Q106 PolarHBondContact O-N 3.11Å; D103-Q106 PolarHBondContact OD1-N 3.31Å; Q106-S108 VanDerWaalsContact C-N 3.31Å; Q106-S108 PolarHBondContact O-N 3.04Å
107	M	98.2	Very high	97.2	Very high	16 Å²	16	23.9 Å²	23.9	8%	0.079	13%	0.128	C	C	.	.	H	α-helix	trans	-78.9	-13.1	-178.4	-64.4	-60.5	-66	0	0	114	F96 H98 V102 D103 G105 S109 F110 Y111	F96-M107 HydrophobicContact CE1-CE 4.07Å; F96-M107 HydrophobicContact CZ-CE 4.38Å; H98-M107 HydrophobicContact CB-CG 4.26Å; V102-M107 HydrophobicContact CB-CG 4.16Å; V102-M107 HydrophobicContact CB-SD 4.13Å; V102-M107 HydrophobicContact CG1-SD 4.36Å; V102-M107 HydrophobicContact CG2-CG 3.91Å; V102-M107 HydrophobicContact CG2-SD 3.86Å; D103-M107 WeakPolarHBondContact O-CG 3.12Å; D103-M107 PolarHBondContact O-N 2.87Å; D103-M107 VanDerWaalsContact O-N 3.1Å; G105-M107 VanDerWaalsContact C-N 3.29Å; G105-M107 PolarHBondContact O-N 3.02Å; M107-S109 PolarHBondContact O-N 2.53Å; M107-F110 HydrophobicContact CE-CD1 3.57Å; M107-F110 HydrophobicContact CE-CE1 4.05Å; M107-F110 HydrophobicContact CE-CG 4.21Å; M107-F110 WeakPolarHBondContact O-CB 3.45Å; M107-F110 PolarHBondContact O-N 3.13Å; M107-F110 VanDerWaalsContact O-N 3.12Å; M107-Y111 HydrophobicContact CB-CD2 4.06Å; M107-Y111 HydrophobicContact CB-CE1 3.91Å; M107-Y111 HydrophobicContact CB-CE2 3.39Å; M107-Y111 WeakPolarHBondContact CB-OH 3.48Å; M107-Y111 HydrophobicContact CE-CE1 3.78Å; M107-Y111 HydrophobicContact CG-CE2 4.49Å; M107-Y111 WeakPolarHBondContact O-CD2 3.37Å; M107-Y111 VanDerWaalsContact O-CG 3.27Å; M107-Y111 PolarHBondContact O-N 3.35Å
108	S	97.8	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.7	-45	-172.2	63.5	0	0	0	0	113.7	W56 L104 G105 Q106 Y111 I112	W56-S108 WeakPolarHBondContact CZ3-OG 3.46Å; L104-S108 PolarHBondContact O-N 3Å; L104-S108 VanDerWaalsContact O-N 3.11Å; G105-S108 WeakPolarHBondContact O-CB 3.46Å; G105-S108 PolarHBondContact O-N 2.88Å; G105-S108 PolarHBondContact O-OG 2.97Å; Q106-S108 VanDerWaalsContact C-N 3.31Å; Q106-S108 PolarHBondContact O-N 3.04Å; S108-Y111 PolarHBondContact O-N 2.92Å; S108-I112 PolarHBondContact O-N 3.2Å
109	S	97.6	Very high	97.1	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-60.9	-46.1	175	-62	0	0	0	0	111.1	D55 W56 Q57 Y58 M107 Y111 I112 G113	D55-S109 PolarHBondContact O-OG 3.28Å; W56-S109 WeakPolarHBondContact CA-OG 3.38Å; Q57-S109 PolarHBondContact N-OG 2.88Å; Q57-S109 VanDerWaalsContact N-OG 3.1Å; Y58-S109 WeakPolarHBondContact CE2-O 3.27Å; M107-S109 PolarHBondContact O-N 2.53Å; S109-Y111 VanDerWaalsContact C-N 3.35Å; S109-Y111 PolarHBondContact O-N 2.88Å; S109-I112 PolarHBondContact O-N 3.44Å; S109-G113 PolarHBondContact O-N 3.12Å
110	F	97.5	Very high	97.1	Very high	51 Å²	51	27.1 Å²	27.1	22%	0.224	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-43.2	179	172.9	-96.1	0	0	0	111.7	F96 M107 I112 G113 L114 E268	F96-F110 AromaticContact CE2-CE1 3.86Å; F96-F110 HydrophobicContact CE2-CE1 3.86Å; F96-F110 AromaticContact CZ-CE1 3.77Å; F96-F110 HydrophobicContact CZ-CE1 3.77Å; M107-F110 HydrophobicContact CE-CD1 3.57Å; M107-F110 HydrophobicContact CE-CE1 4.05Å; M107-F110 HydrophobicContact CE-CG 4.21Å; M107-F110 WeakPolarHBondContact O-CB 3.45Å; M107-F110 PolarHBondContact O-N 3.13Å; M107-F110 VanDerWaalsContact O-N 3.12Å; F110-I112 PolarHBondContact O-N 2.71Å; F110-G113 PolarHBondContact O-N 3.06Å; F110-L114 HydrophobicContact CE1-CB 4.3Å; F110-L114 HydrophobicContact CE1-CD2 3.69Å; F110-L114 HydrophobicContact CZ-CB 4.3Å; F110-L114 HydrophobicContact CZ-CD2 3.79Å; F110-L114 HydrophobicContact CZ-CG 4.49Å; F110-L114 VanDerWaalsContact O-CB 3.28Å; F110-L114 WeakPolarHBondContact O-CB 3.4Å; F110-L114 PolarHBondContact O-N 3.24Å; F110-E268 HydrophobicContact CE2-CB 4.28Å
111	Y	98.5	Very high	97.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.1	-41.1	179.6	-63.7	-29.5	0	0	0	113.4	M82 V84 C86 F96 L104 M107 S108 S109 G115 V122 S124	M82-Y111 HydrophobicContact SD-CD2 4.12Å; M82-Y111 HydrophobicContact SD-CE2 4.49Å; V84-Y111 HydrophobicContact CG2-CD2 4.42Å; C86-Y111 PolarHBondContact SG-O 3.3Å; F96-Y111 HydrophobicContact CB-CE1 4.29Å; F96-Y111 AromaticContact CD1-CE1 3.64Å; F96-Y111 HydrophobicContact CD1-CE1 3.64Å; F96-Y111 HydrophobicContact CD2-CE1 4.18Å; F96-Y111 AromaticContact CE1-CE1 3.94Å; F96-Y111 HydrophobicContact CE1-CE1 3.94Å; F96-Y111 HydrophobicContact CE2-CE1 4.44Å; F96-Y111 AromaticContact CG-CE1 3.78Å; F96-Y111 HydrophobicContact CG-CE1 3.78Å; F96-Y111 HydrophobicContact CZ-CE1 4.33Å; L104-Y111 HydrophobicContact CD2-CE2 4.07Å; M107-Y111 HydrophobicContact CB-CD2 4.06Å; M107-Y111 HydrophobicContact CB-CE1 3.91Å; M107-Y111 HydrophobicContact CB-CE2 3.39Å; M107-Y111 WeakPolarHBondContact CB-OH 3.48Å; M107-Y111 HydrophobicContact CE-CE1 3.78Å; M107-Y111 HydrophobicContact CG-CE2 4.49Å; M107-Y111 WeakPolarHBondContact O-CD2 3.37Å; M107-Y111 VanDerWaalsContact O-CG 3.27Å; M107-Y111 PolarHBondContact O-N 3.35Å; S108-Y111 PolarHBondContact O-N 2.92Å; S109-Y111 VanDerWaalsContact C-N 3.35Å; S109-Y111 PolarHBondContact O-N 2.88Å; Y111-G115 PolarHBondContact O-N 3.36Å; Y111-V122 HydrophobicContact CD1-CG1 3.66Å; Y111-V122 HydrophobicContact CD2-CG1 4.37Å; Y111-V122 HydrophobicContact CE1-CG1 4.24Å; Y111-V122 HydrophobicContact CG-CB 4.44Å; Y111-V122 HydrophobicContact CG-CG1 3.74Å; Y111-S124 VanDerWaalsContact CE2-CB 3.44Å; Y111-S124 WeakPolarHBondContact OH-CB 3.49Å; Y111-S124 PolarHBondContact OH-OG 3.44Å
112	I	97.2	Very high	97.6	Very high	12 Å²	12	23.8 Å²	23.8	6%	0.062	12%	0.119	C	C	.	.	H	α-helix	trans	-63.2	-49.6	174.3	-71.4	173.1	0	0	0	110.1	W56 Y58 E62 I66 V84 S108 S109 F110 L114 S116	W56-I112 HydrophobicContact CH2-CD1 3.26Å; W56-I112 HydrophobicContact CZ2-CD1 4.26Å; W56-I112 HydrophobicContact CZ3-CD1 3.81Å; Y58-I112 HydrophobicContact CD1-CG2 4.42Å; Y58-I112 HydrophobicContact CD2-CD1 4.45Å; Y58-I112 HydrophobicContact CD2-CG2 4.42Å; Y58-I112 HydrophobicContact CE1-CG2 3.98Å; Y58-I112 HydrophobicContact CE2-CB 4.07Å; Y58-I112 HydrophobicContact CE2-CG2 3.99Å; E62-I112 HydrophobicContact CB-CD1 4.1Å; I66-I112 HydrophobicContact CD1-CD1 4.06Å; I66-I112 HydrophobicContact CG1-CD1 4.35Å; V84-I112 HydrophobicContact CG1-CD1 4.38Å; V84-I112 HydrophobicContact CG1-CG1 3.44Å; V84-I112 VanDerWaalsContact CG1-CG1 3.44Å; S108-I112 PolarHBondContact O-N 3.2Å; S109-I112 PolarHBondContact O-N 3.44Å; F110-I112 PolarHBondContact O-N 2.71Å; I112-L114 PolarHBondContact O-N 2.78Å; I112-S116 WeakPolarHBondContact O-CB 3.18Å; I112-S116 PolarHBondContact O-N 3.03Å; I112-S116 PolarHBondContact O-OG 3.27Å
113	G	96.8	Very high	97.8	Very high	3 Å²	3	22.2 Å²	22.2	3%	0.031	11%	0.109	C	C	.	.	H	α-helix	trans	-62.2	-43	-178	0	0	0	0	0	112.7	Y58 S109 F110 R117	Y58-G113 VanDerWaalsContact OH-CA 3.29Å; Y58-G113 WeakPolarHBondContact OH-CA 3.32Å; Y58-G113 PolarHBondContact OH-N 2.93Å; S109-G113 PolarHBondContact O-N 3.12Å; F110-G113 PolarHBondContact O-N 3.06Å; G113-R117 VanDerWaalsContact C-NH1 3.29Å; G113-R117 VanDerWaalsContact CA-NH1 3.31Å; G113-R117 WeakPolarHBondContact O-CB 3.3Å; G113-R117 VanDerWaalsContact O-CD 3.31Å; G113-R117 WeakPolarHBondContact O-CD 3.3Å; G113-R117 WeakPolarHBondContact O-CG 3.3Å; G113-R117 PolarHBondContact O-N 3.17Å; G113-R117 PolarHBondContact O-NH1 2.99Å
114	L	97.6	Very high	97.8	Very high	7 Å²	7	22.2 Å²	22.2	4%	0.037	11%	0.109	C	C	.	.	H	α-helix	trans	-68.1	-58.9	178.3	177.9	62.4	0	0	0	110.4	L94 F96 F110 I112 S116 R117 I118 Y273 L277	L94-L114 HydrophobicContact CD1-CD2 3.87Å; L94-L114 HydrophobicContact CD1-CG 4.47Å; F96-L114 HydrophobicContact CD2-CD2 4.49Å; F96-L114 HydrophobicContact CE2-CD2 3.99Å; F110-L114 HydrophobicContact CE1-CB 4.3Å; F110-L114 HydrophobicContact CE1-CD2 3.69Å; F110-L114 HydrophobicContact CZ-CB 4.3Å; F110-L114 HydrophobicContact CZ-CD2 3.79Å; F110-L114 HydrophobicContact CZ-CG 4.49Å; F110-L114 VanDerWaalsContact O-CB 3.28Å; F110-L114 WeakPolarHBondContact O-CB 3.4Å; F110-L114 PolarHBondContact O-N 3.24Å; I112-L114 PolarHBondContact O-N 2.78Å; L114-S116 VanDerWaalsContact C-N 3.3Å; L114-S116 PolarHBondContact O-N 3.36Å; L114-R117 PolarHBondContact O-N 2.9Å; L114-I118 HydrophobicContact CD1-CD1 4.13Å; L114-I118 HydrophobicContact CD1-CG2 4.16Å; L114-I118 HydrophobicContact CG-CD1 4.17Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 3.28Å; L114-Y273 HydrophobicContact CD1-CE1 4.11Å; L114-L277 HydrophobicContact CD1-CD1 3.94Å
115	G	97.8	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.8	-40.6	-173.9	0	0	0	0	0	112.8	C86 Y111 R117 I118 N119 C120	C86-G115 VanDerWaalsContact CB-C 3.47Å; Y111-G115 PolarHBondContact O-N 3.36Å; G115-R117 VanDerWaalsContact C-N 3.33Å; G115-R117 PolarHBondContact O-N 3.46Å; G115-I118 PolarHBondContact O-N 2.95Å; G115-N119 WeakPolarHBondContact O-CA 3.46Å; G115-N119 PolarHBondContact O-N 3.48Å; G115-C120 CarbonylContact C-O 3.53Å; G115-C120 VanDerWaalsContact C-O 3.27Å; G115-C120 WeakPolarHBondContact CA-O 3.34Å; G115-C120 PolarHBondContact O-N 2.86Å; G115-C120 VanDerWaalsContact O-O 3.13Å
116	S	96.4	Very high	97.8	Very high	62 Å²	62	22.1 Å²	22.1	43%	0.434	11%	0.109	S	C	.	.	H	α-helix	trans	-63.3	-39.1	176.9	-56.8	0	0	0	0	112.1	I112 L114	I112-S116 WeakPolarHBondContact O-CB 3.18Å; I112-S116 PolarHBondContact O-N 3.03Å; I112-S116 PolarHBondContact O-OG 3.27Å; L114-S116 VanDerWaalsContact C-N 3.3Å; L114-S116 PolarHBondContact O-N 3.36Å
117	R	96.7	Very high	97.9	Very high	143 Å²	143	18.9 Å²	18.9	54%	0.54	9%	0.093	S	C	.	.	H	α-helix	trans	-79.5	-25.3	-176.2	-68.8	176.3	-175.2	114.9	-9	113.3	G113 L114 G115 L274 K278	G113-R117 VanDerWaalsContact C-NH1 3.29Å; G113-R117 VanDerWaalsContact CA-NH1 3.31Å; G113-R117 WeakPolarHBondContact O-CB 3.3Å; G113-R117 VanDerWaalsContact O-CD 3.31Å; G113-R117 WeakPolarHBondContact O-CD 3.3Å; G113-R117 WeakPolarHBondContact O-CG 3.3Å; G113-R117 PolarHBondContact O-N 3.17Å; G113-R117 PolarHBondContact O-NH1 2.99Å; L114-R117 PolarHBondContact O-N 2.9Å; G115-R117 VanDerWaalsContact C-N 3.33Å; G115-R117 PolarHBondContact O-N 3.46Å; R117-L274 HydrophobicContact CB-CD1 3.67Å; R117-L274 HydrophobicContact CB-CD2 4.01Å; R117-L274 HydrophobicContact CB-CG 4.43Å; R117-L274 HydrophobicContact CG-CD2 4.32Å; R117-K278 WeakPolarHBondContact O-CE 3.29Å
118	I	96.9	Very high	97.9	Very high	9 Å²	9	18.1 Å²	18.1	5%	0.046	9%	0.09	C	C	.	.	H	α-helix	trans	-106	8	177.3	73.8	174.9	0	0	0	113.3	L94 L114 G115 C120 L274 L277 K278 V281	L94-I118 HydrophobicContact CD1-CD1 4.05Å; L94-I118 HydrophobicContact CD2-CD1 4.37Å; L114-I118 HydrophobicContact CD1-CD1 4.13Å; L114-I118 HydrophobicContact CD1-CG2 4.16Å; L114-I118 HydrophobicContact CG-CD1 4.17Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 3.28Å; G115-I118 PolarHBondContact O-N 2.95Å; I118-C120 HydrophobicContact CD1-CB 4.21Å; I118-C120 HydrophobicContact CG1-CB 3.94Å; I118-C120 PolarHBondContact O-N 3.45Å; I118-L274 HydrophobicContact CG2-CD1 3.51Å; I118-L277 HydrophobicContact CG2-CB 4.02Å; I118-K278 HydrophobicContact CG2-CG 4.13Å; I118-V281 HydrophobicContact CD1-CG2 4.47Å
119	N	97.1	Very high	97.9	Very high	64 Å²	64	19.2 Å²	19.2	34%	0.342	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	45.5	-178.7	-165.9	46.7	0	0	0	114.1	S87 N89 G115	S87-N119 WeakPolarHBondContact CB-OD1 3.38Å; S87-N119 PolarHBondContact OG-OD1 2.81Å; N89-N119 PolarHBondContact OD1-OD1 3.23Å; G115-N119 WeakPolarHBondContact O-CA 3.46Å; G115-N119 PolarHBondContact O-N 3.48Å
120	C	98.1	Very high	97.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.7	176.2	-68.5	0	0	0	0	110.9	C86 F92 L94 G115 I118 V281	C86-C120 WeakPolarHBondContact CB-O 3.5Å; F92-C120 WeakPolarHBondContact O-CA 3.43Å; L94-C120 HydrophobicContact CD2-CB 4.23Å; L94-C120 HydrophobicContact CG-CB 4.13Å; G115-C120 CarbonylContact C-O 3.53Å; G115-C120 VanDerWaalsContact C-O 3.27Å; G115-C120 WeakPolarHBondContact CA-O 3.34Å; G115-C120 PolarHBondContact O-N 2.86Å; G115-C120 VanDerWaalsContact O-O 3.13Å; I118-C120 HydrophobicContact CD1-CB 4.21Å; I118-C120 HydrophobicContact CG1-CB 3.94Å; I118-C120 PolarHBondContact O-N 3.45Å; C120-V281 VanDerWaalsContact SG-CG1 3.58Å
121	N	98.6	Very high	97.9	Very high	23 Å²	23	17.3 Å²	17.3	12%	0.123	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	160.3	160.7	-61.9	-41.3	0	0	0	109.7	F83 R85 C86 S87 F92 T93 L94	F83-N121 HydrophobicContact CE2-CB 3.59Å; F83-N121 HydrophobicContact CZ-CB 4.11Å; R85-N121 WeakPolarHBondContact CA-OD1 3.48Å; C86-N121 PolarHBondContact N-OD1 2.99Å; C86-N121 VanDerWaalsContact N-OD1 3.12Å; S87-N121 PolarHBondContact N-OD1 3.1Å; S87-N121 PolarHBondContact O-OD1 2.94Å; F92-N121 PolarHBondContact O-N 3.18Å; F92-N121 VanDerWaalsContact O-N 3.1Å; T93-N121 CarbonylContact C-O 3.55Å; T93-N121 WeakPolarHBondContact CA-O 3.36Å; T93-N121 HydrophobicContact CG2-CB 4.13Å; L94-N121 PolarHBondContact N-O 2.83Å
122	V	98.9	Very high	97.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.7	179.2	-175.3	0	0	0	0	110	F83 V84 L94 F96 Y111	F83-V122 WeakPolarHBondContact CD2-O 3.33Å; V84-V122 HydrophobicContact CB-CB 4.39Å; V84-V122 PolarHBondContact N-O 2.92Å; V84-V122 PolarHBondContact O-N 2.83Å; L94-V122 HydrophobicContact CB-CG1 4.42Å; L94-V122 HydrophobicContact CB-CG2 4.47Å; L94-V122 HydrophobicContact CD1-CG2 4.09Å; L94-V122 HydrophobicContact CG-CG2 4.35Å; F96-V122 HydrophobicContact CB-CG1 4.03Å; Y111-V122 HydrophobicContact CD1-CG1 3.66Å; Y111-V122 HydrophobicContact CD2-CG1 4.37Å; Y111-V122 HydrophobicContact CE1-CG1 4.24Å; Y111-V122 HydrophobicContact CG-CB 4.44Å; Y111-V122 HydrophobicContact CG-CG1 3.74Å
123	F	98.9	Very high	97.9	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.4	170.7	-175.2	-90.8	0	0	0	109.2	F69 C81 M82 F83 T93 L94 L95 F96 A149 A152 L153 Y157	F69-F123 AromaticContact CE1-CE2 3.87Å; F69-F123 HydrophobicContact CE1-CE2 3.87Å; F69-F123 HydrophobicContact CE1-CZ 4.3Å; F69-F123 AromaticContact CZ-CE2 3.91Å; F69-F123 HydrophobicContact CZ-CE2 3.91Å; F69-F123 AromaticContact CZ-CZ 3.93Å; F69-F123 HydrophobicContact CZ-CZ 3.93Å; C81-F123 HydrophobicContact CB-CE1 4.49Å; C81-F123 HydrophobicContact CB-CE2 4.15Å; C81-F123 HydrophobicContact CB-CZ 3.71Å; M82-F123 CarbonylContact O-C 3.57Å; M82-F123 WeakPolarHBondContact O-CA 3.37Å; F83-F123 HydrophobicContact CB-CD2 3.78Å; F83-F123 HydrophobicContact CB-CE2 4.33Å; F83-F123 HydrophobicContact CD2-CB 4.05Å; F83-F123 HydrophobicContact CD2-CD2 4.13Å; F83-F123 HydrophobicContact CE2-CB 4.5Å; F83-F123 HydrophobicContact CG-CD2 4.01Å; T93-F123 HydrophobicContact CG2-CB 4.05Å; L94-F123 WeakPolarHBondContact O-CA 3.33Å; L94-F123 PolarHBondContact O-N 3.3Å; L94-F123 VanDerWaalsContact O-O 3.1Å; L95-F123 CarbonylContact C-O 3.57Å; L95-F123 WeakPolarHBondContact CA-O 3.22Å; L95-F123 HydrophobicContact CD1-CD1 3.64Å; L95-F123 HydrophobicContact CD1-CE1 4.18Å; F96-F123 PolarHBondContact N-O 3.34Å; F123-A149 HydrophobicContact CE1-CB 4Å; F123-A149 WeakPolarHBondContact CE1-O 3.45Å; F123-A152 HydrophobicContact CZ-CB 4.36Å; F123-L153 HydrophobicContact CB-CD1 3.66Å; F123-L153 HydrophobicContact CD1-CB 4.24Å; F123-L153 HydrophobicContact CD1-CD1 4.12Å; F123-L153 HydrophobicContact CD2-CD1 3.83Å; F123-L153 HydrophobicContact CE1-CB 4.25Å; F123-L153 HydrophobicContact CG-CD1 3.6Å; F123-L153 HydrophobicContact CG-CG 4.48Å; F123-Y157 HydrophobicContact CD2-CE2 4.13Å; F123-Y157 HydrophobicContact CE2-CD2 4.37Å; F123-Y157 AromaticContact CE2-CE2 3.75Å; F123-Y157 HydrophobicContact CE2-CE2 3.75Å
124	S	98.9	Very high	98	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	167	-179.2	-171.6	0	0	0	0	110.5	C81 M82 F96 L104 Y111	C81-S124 CarbonylContact C-O 3.27Å; C81-S124 WeakPolarHBondContact CA-O 3.26Å; M82-S124 PolarHBondContact N-O 3.16Å; M82-S124 PolarHBondContact O-N 3.17Å; F96-S124 PolarHBondContact O-OG 3.13Å; L104-S124 VanDerWaalsContact CD2-OG 3.28Å; L104-S124 WeakPolarHBondContact CD2-OG 3.43Å; Y111-S124 VanDerWaalsContact CE2-CB 3.44Å; Y111-S124 WeakPolarHBondContact OH-CB 3.49Å; Y111-S124 PolarHBondContact OH-OG 3.44Å
125	Y	98.9	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	148.4	-179.5	61.6	-76.1	0	0	0	110.1	I79 A80 L95 S97 H98 Y127 D145 V146 A149	I79-Y125 HydrophobicContact CD1-CD2 4.09Å; A80-Y125 CarbonylContact O-C 3.56Å; A80-Y125 WeakPolarHBondContact O-CA 3.43Å; A80-Y125 WeakPolarHBondContact O-CB 3.3Å; L95-Y125 HydrophobicContact CD1-CD1 4.1Å; L95-Y125 HydrophobicContact CD1-CE1 4.01Å; S97-Y125 PolarHBondContact OG-OH 2.8Å; H98-Y125 PolarHBondContact CD2-O 3.43Å; H98-Y125 PolarHBondContact NE2-O 3.1Å; Y125-Y127 HydrophobicContact CD2-CD1 4.41Å; Y125-Y127 AromaticContact CE2-CD1 3.82Å; Y125-Y127 HydrophobicContact CE2-CD1 3.82Å; Y125-Y127 AromaticContact CE2-CE1 3.77Å; Y125-Y127 HydrophobicContact CE2-CE1 3.77Å; Y125-D145 HydrophobicContact CD2-CB 4.21Å; Y125-D145 HydrophobicContact CE2-CB 3.97Å; Y125-V146 HydrophobicContact CE1-CG2 4.26Å; Y125-V146 HydrophobicContact CE2-CB 4.29Å; Y125-V146 VanDerWaalsContact OH-CB 3.27Å; Y125-V146 WeakPolarHBondContact OH-CB 3.31Å; Y125-V146 VanDerWaalsContact OH-CG2 3.3Å; Y125-V146 WeakPolarHBondContact OH-CG2 3.36Å; Y125-A149 HydrophobicContact CD1-CB 3.37Å; Y125-A149 HydrophobicContact CD2-CB 4.09Å; Y125-A149 HydrophobicContact CE1-CB 3.85Å; Y125-A149 HydrophobicContact CE2-CB 4.46Å; Y125-A149 HydrophobicContact CG-CB 3.55Å
126	D	98.8	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-84.6	139.7	170.3	-87.8	-28.5	0	0	0	110.2	Y35 I79 A80 H98 D103 L104 G131 S133	Y35-D126 WeakPolarHBondContact CE1-OD2 3.37Å; Y35-D126 VanDerWaalsContact CZ-OD2 3.22Å; Y35-D126 PolarHBondContact OH-OD2 3.3Å; I79-D126 WeakPolarHBondContact CB-O 3.27Å; A80-D126 PolarHBondContact O-N 2.83Å; H98-D126 IonicContact CE1-OD1 3.92Å; H98-D126 IonicContact NE2-OD1 3.3Å; H98-D126 PolarHBondContact NE2-OD1 2.92Å; D103-D126 VanDerWaalsContact CA-OD1 3.31Å; D103-D126 WeakPolarHBondContact CA-OD1 3.25Å; L104-D126 HydrophobicContact CD1-CB 4.36Å; L104-D126 HydrophobicContact CG-CB 4.34Å; L104-D126 PolarHBondContact N-OD1 3.35Å; D126-G131 WeakPolarHBondContact OD2-CA 3.41Å; D126-S133 VanDerWaalsContact CB-OG 3.28Å; D126-S133 WeakPolarHBondContact CB-OG 3.39Å; D126-S133 PolarHBondContact O-OG 2.88Å; D126-S133 VanDerWaalsContact O-OG 3.09Å
127	Y	98.4	Very high	97.7	Very high	1 Å²	1	29 Å²	29	0%	0.004	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-62.6	156.1	171.3	-49.9	-49.6	0	0	0	111.9	S97 H98 Y125 G129 Y130 S133 L142 I171 G172 P175	S97-Y127 VanDerWaalsContact C-OH 3.31Å; H98-Y127 AromaticContact CE1-CD2 3.58Å; H98-Y127 AromaticContact CE1-CE2 3.43Å; H98-Y127 VanDerWaalsContact CE1-CE2 3.43Å; H98-Y127 WeakPolarHBondContact CE1-CE2 3.48Å; H98-Y127 PolarHBondContact N-OH 3.24Å; H98-Y127 AromaticContact ND1-CE2 3.73Å; H98-Y127 AromaticContact NE2-CD2 3.83Å; H98-Y127 AromaticContact NE2-CE2 3.76Å; H98-Y127 WeakPolarHBondContact O-CE2 3.35Å; H98-Y127 PolarHBondContact O-OH 2.8Å; Y125-Y127 HydrophobicContact CD2-CD1 4.41Å; Y125-Y127 AromaticContact CE2-CD1 3.82Å; Y125-Y127 HydrophobicContact CE2-CD1 3.82Å; Y125-Y127 AromaticContact CE2-CE1 3.77Å; Y125-Y127 HydrophobicContact CE2-CE1 3.77Å; Y127-G129 PolarHBondContact O-N 2.72Å; Y127-G129 VanDerWaalsContact O-N 3.12Å; Y127-Y130 HydrophobicContact CD2-CD1 4.39Å; Y127-Y130 HydrophobicContact CD2-CD2 4.32Å; Y127-Y130 HydrophobicContact CD2-CE1 4.35Å; Y127-Y130 HydrophobicContact CD2-CE2 4.3Å; Y127-Y130 HydrophobicContact CD2-CG 4.39Å; Y127-Y130 WeakPolarHBondContact O-CB 3.45Å; Y127-Y130 PolarHBondContact O-N 3.12Å; Y127-S133 WeakPolarHBondContact O-CB 3.2Å; Y127-L142 HydrophobicContact CD1-CD1 3.35Å; Y127-L142 HydrophobicContact CD1-CG 4.44Å; Y127-L142 HydrophobicContact CD2-CD1 4.01Å; Y127-L142 HydrophobicContact CE1-CD1 3.61Å; Y127-L142 HydrophobicContact CE1-CG 4.5Å; Y127-L142 HydrophobicContact CE2-CD1 4.24Å; Y127-L142 HydrophobicContact CG-CD1 3.56Å; Y127-I171 HydrophobicContact CE2-CG2 4.41Å; Y127-G172 WeakPolarHBondContact OH-CA 3.42Å; Y127-P175 HydrophobicContact CE1-CG 4.33Å
128	S	98.4	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	120.5	171.9	-74.1	0	0	0	0	110.9	N77 S134 K136 P137 D145	N77-S128 WeakPolarHBondContact CB-OG 3.4Å; N77-S128 WeakPolarHBondContact ND2-CB 3.41Å; N77-S128 PolarHBondContact ND2-OG 3.16Å; S128-S134 CarbonylContact C-O 3.59Å; S128-S134 WeakPolarHBondContact CA-O 3.18Å; S128-K136 CarbonylContact O-C 3.58Å; S128-P137 VanDerWaalsContact O-CA 3.3Å; S128-P137 WeakPolarHBondContact O-CA 3.41Å; S128-P137 WeakPolarHBondContact O-CD 3.37Å; S128-P137 WeakPolarHBondContact O-CG 3.38Å; S128-D145 WeakPolarHBondContact CB-OD2 3.41Å; S128-D145 PolarHBondContact N-OD2 3.19Å; S128-D145 VanDerWaalsContact OG-CG 3.32Å; S128-D145 PolarHBondContact OG-OD1 2.67Å; S128-D145 PolarHBondContact OG-OD2 2.77Å
129	G	97.4	Very high	97.4	Very high	23 Å²	23	26 Å²	26	24%	0.237	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	6.9	-176.4	0	0	0	0	0	116.1	P30 Y127 S133 S134	P30-G129 WeakPolarHBondContact CB-O 3.37Å; Y127-G129 PolarHBondContact O-N 2.72Å; Y127-G129 VanDerWaalsContact O-N 3.12Å; G129-S133 PolarHBondContact N-O 3.42Å; G129-S134 PolarHBondContact N-O 3.45Å
130	Y	98.3	Very high	97.3	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	18%	0.176	C	C	.	.	S	Bend	trans	-104.8	148.5	171.1	-76.8	-119.1	0	0	0	110.6	F28 L29 P30 H98 N100 V102 Y127 A132 S133 P137	F28-Y130 WeakPolarHBondContact CA-OH 3.25Å; F28-Y130 HydrophobicContact CB-CE2 4.2Å; F28-Y130 WeakPolarHBondContact CB-OH 3.49Å; F28-Y130 HydrophobicContact CD1-CE2 4.22Å; L29-Y130 PolarHBondContact N-OH 2.79Å; L29-Y130 VanDerWaalsContact N-OH 3.13Å; P30-Y130 HydrophobicContact CB-CD1 3.94Å; P30-Y130 HydrophobicContact CB-CD2 3.76Å; P30-Y130 HydrophobicContact CB-CE1 4.02Å; P30-Y130 HydrophobicContact CB-CE2 3.82Å; P30-Y130 HydrophobicContact CB-CG 3.8Å; P30-Y130 HydrophobicContact CG-CE2 4.28Å; H98-Y130 AromaticContact CE1-CD1 3.88Å; N100-Y130 PolarHBondContact OD1-OH 3.01Å; V102-Y130 WeakPolarHBondContact O-CD1 3.17Å; Y127-Y130 HydrophobicContact CD2-CD1 4.39Å; Y127-Y130 HydrophobicContact CD2-CD2 4.32Å; Y127-Y130 HydrophobicContact CD2-CE1 4.35Å; Y127-Y130 HydrophobicContact CD2-CE2 4.3Å; Y127-Y130 HydrophobicContact CD2-CG 4.39Å; Y127-Y130 WeakPolarHBondContact O-CB 3.45Å; Y127-Y130 PolarHBondContact O-N 3.12Å; Y130-A132 PolarHBondContact O-N 3.07Å; Y130-S133 WeakPolarHBondContact O-CA 3.37Å; Y130-S133 WeakPolarHBondContact O-CB 3.49Å; Y130-S133 PolarHBondContact O-N 3.32Å; Y130-P137 HydrophobicContact CD2-CG 4.03Å; Y130-P137 HydrophobicContact CE2-CB 4.04Å; Y130-P137 HydrophobicContact CE2-CG 3.63Å
131	G	97.7	Very high	97.3	Very high	15 Å²	15	30.5 Å²	30.5	16%	0.155	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-123.5	175.1	0	0	0	0	0	113.3	D126 S133	D126-G131 WeakPolarHBondContact OD2-CA 3.41Å; G131-S133 VanDerWaalsContact C-N 3.33Å
132	A	97.6	Very high	97.2	Very high	38 Å²	38	29.5 Å²	29.5	31%	0.314	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-0.2	177.5	0	0	0	0	0	114.1	Y35 L37 M70 A80 Y130	Y35-A132 HydrophobicContact CE2-CB 3.84Å; Y35-A132 PolarHBondContact OH-N 2.97Å; L37-A132 HydrophobicContact CD1-CB 4.4Å; L37-A132 HydrophobicContact CG-CB 4.33Å; M70-A132 WeakPolarHBondContact CE-O 3.42Å; A80-A132 HydrophobicContact CB-CB 4.19Å; Y130-A132 PolarHBondContact O-N 3.07Å
133	S	98.5	Very high	97.2	Very high	10 Å²	10	31.2 Å²	31.2	7%	0.07	18%	0.181	C	C	.	.			trans	-75.9	135.2	-179.9	-63.6	0	0	0	0	112.2	R78 I79 A80 D126 Y127 G129 Y130 G131	R78-S133 WeakPolarHBondContact O-CA 3.28Å; I79-S133 VanDerWaalsContact CA-OG 3.23Å; I79-S133 WeakPolarHBondContact CA-OG 3.42Å; A80-S133 PolarHBondContact N-OG 3.43Å; D126-S133 VanDerWaalsContact CB-OG 3.28Å; D126-S133 WeakPolarHBondContact CB-OG 3.39Å; D126-S133 PolarHBondContact O-OG 2.88Å; D126-S133 VanDerWaalsContact O-OG 3.09Å; Y127-S133 WeakPolarHBondContact O-CB 3.2Å; G129-S133 PolarHBondContact N-O 3.42Å; Y130-S133 WeakPolarHBondContact O-CA 3.37Å; Y130-S133 WeakPolarHBondContact O-CB 3.49Å; Y130-S133 PolarHBondContact O-N 3.32Å; G131-S133 VanDerWaalsContact C-N 3.33Å
134	S	98.3	Very high	97.2	Very high	51 Å²	51	31.4 Å²	31.4	36%	0.357	18%	0.183	S	C	.	.			trans	-77.1	174.9	174.1	65.3	0	0	0	0	112.6	R78 S128 G129	R78-S134 PolarHBondContact N-OG 3.4Å; R78-S134 PolarHBondContact O-N 3.2Å; R78-S134 PolarHBondContact O-OG 2.93Å; S128-S134 CarbonylContact C-O 3.59Å; S128-S134 WeakPolarHBondContact CA-O 3.18Å; G129-S134 PolarHBondContact N-O 3.45Å
135	G	96.3	Very high	97.2	Very high	43 Å²	43	31.5 Å²	31.5	44%	0.443	18%	0.184	S	C	.	.	S	Bend	trans	87.5	-151.9	174.2	0	0	0	0	0	112.4
136	K	95.1	Very high	97.2	Very high	162 Å²	162	31.5 Å²	31.5	70%	0.704	18%	0.184	S	C	*	.			trans	-140.9	149.7	-180	-65.5	-176.1	-178.8	179.4	0	110.6	S128 S138 N141	S128-K136 CarbonylContact O-C 3.58Å; K136-S138 PolarHBondContact O-N 2.85Å; K136-N141 PolarHBondContact O-ND2 2.8Å
137	P	93.6	Very high	97.2	Very high	27 Å²	27	33.8 Å²	33.8	18%	0.175	20%	0.196	C	C	.	.			trans	-66.8	135.3	177.1	-20.5	33.4	0	0	0	111.5	F28 P30 S128 Y130	F28-P137 HydrophobicContact CB-CB 3.38Å; F28-P137 HydrophobicContact CB-CG 3.89Å; F28-P137 HydrophobicContact CD1-CB 3.86Å; F28-P137 HydrophobicContact CD2-CB 3.48Å; F28-P137 VanDerWaalsContact CD2-CB 3.48Å; F28-P137 HydrophobicContact CE1-CB 4.5Å; F28-P137 HydrophobicContact CE2-CB 4.19Å; F28-P137 HydrophobicContact CG-CB 3.29Å; F28-P137 HydrophobicContact CG-CG 4.3Å; P30-P137 HydrophobicContact CG-CG 4.38Å; S128-P137 VanDerWaalsContact O-CA 3.3Å; S128-P137 WeakPolarHBondContact O-CA 3.41Å; S128-P137 WeakPolarHBondContact O-CD 3.37Å; S128-P137 WeakPolarHBondContact O-CG 3.38Å; Y130-P137 HydrophobicContact CD2-CG 4.03Å; Y130-P137 HydrophobicContact CE2-CB 4.04Å; Y130-P137 HydrophobicContact CE2-CG 3.63Å
138	S	93.9	Very high	97.2	Very high	35 Å²	35	34.2 Å²	34.2	25%	0.245	20%	0.199	C	C	.	.			trans	-164.7	156.3	168.5	65.4	0	0	0	0	108.8	K136 K140 N141 L142	K136-S138 PolarHBondContact O-N 2.85Å; S138-K140 VanDerWaalsContact C-N 3.27Å; S138-K140 PolarHBondContact O-N 3.48Å; S138-N141 PolarHBondContact O-N 2.86Å; S138-N141 WeakPolarHBondContact OG-CB 3.38Å; S138-N141 PolarHBondContact OG-N 3.06Å; S138-N141 PolarHBondContact OG-ND2 2.85Å; S138-L142 PolarHBondContact O-N 2.64Å
139	E	93.7	Very high	97.3	Very high	52 Å²	52	34.2 Å²	34.2	24%	0.243	20%	0.199	C	C	.	.	H	α-helix	trans	-52.8	-43.8	176.4	-177.3	170	-160.4	0	0	113.2	N141 L142 Y143 F214	E139-N141 VanDerWaalsContact C-N 3.3Å; E139-N141 PolarHBondContact O-N 3.17Å; E139-L142 VanDerWaalsContact O-CB 3.27Å; E139-L142 WeakPolarHBondContact O-CB 3.46Å; E139-L142 PolarHBondContact O-N 2.86Å; E139-Y143 HydrophobicContact CG-CD2 4.26Å; E139-Y143 HydrophobicContact CG-CE2 3.49Å; E139-Y143 VanDerWaalsContact CG-CE2 3.49Å; E139-Y143 WeakPolarHBondContact O-CD2 3.41Å; E139-Y143 PolarHBondContact O-N 2.95Å; E139-Y143 VanDerWaalsContact O-N 3.15Å; E139-Y143 PolarHBondContact OE1-OH 2.76Å; E139-F214 HydrophobicContact CB-CD1 3.95Å; E139-F214 HydrophobicContact CB-CE1 3.53Å; E139-F214 HydrophobicContact CG-CD1 3.65Å; E139-F214 HydrophobicContact CG-CE1 3.79Å; E139-F214 VanDerWaalsContact OE1-CA 3.22Å; E139-F214 WeakPolarHBondContact OE1-CA 3.33Å; E139-F214 PolarHBondContact OE1-N 3.4Å
140	K	95.8	Very high	97.3	Very high	143 Å²	143	33.5 Å²	33.5	62%	0.622	19%	0.189	S	C	*	.	H	α-helix	trans	-64.5	-34.5	178.2	-66.6	-178.1	-180	178.5	0	112.7	R75 S138 A144	R75-K140 WeakPolarHBondContact CD-O 3.29Å; S138-K140 VanDerWaalsContact C-N 3.27Å; S138-K140 PolarHBondContact O-N 3.48Å; K140-A144 PolarHBondContact O-N 3.4Å
141	N	97.8	Very high	97.3	Very high	16 Å²	16	38.7 Å²	38.7	9%	0.086	21%	0.214	C	C	.	.	H	α-helix	trans	-74	-41	174.9	-70.6	-16.4	0	0	0	110.2	R75 N77 K136 S138 E139 Y143 A144 D145	R75-N141 WeakPolarHBondContact CD-OD1 3.48Å; R75-N141 PolarHBondContact NE-OD1 3.13Å; N77-N141 PolarHBondContact ND2-ND2 2.96Å; K136-N141 PolarHBondContact O-ND2 2.8Å; S138-N141 PolarHBondContact O-N 2.86Å; S138-N141 WeakPolarHBondContact OG-CB 3.38Å; S138-N141 PolarHBondContact OG-N 3.06Å; S138-N141 PolarHBondContact OG-ND2 2.85Å; E139-N141 VanDerWaalsContact C-N 3.3Å; E139-N141 PolarHBondContact O-N 3.17Å; N141-Y143 VanDerWaalsContact C-N 3.27Å; N141-Y143 PolarHBondContact O-N 3.11Å; N141-A144 CarbonylContact O-C 3.47Å; N141-A144 WeakPolarHBondContact O-CA 3.38Å; N141-A144 WeakPolarHBondContact O-CB 3.34Å; N141-A144 PolarHBondContact O-N 3.4Å; N141-D145 WeakPolarHBondContact O-CB 3.41Å; N141-D145 PolarHBondContact O-N 3.04Å; N141-D145 VanDerWaalsContact O-OD2 3.08Å
142	L	96.9	Very high	97.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-50.4	-46	175.7	-154.9	74.5	0	0	0	112.3	F28 Y127 S138 E139 D145 V146 V174 P175 F214	F28-L142 HydrophobicContact CE1-CD1 3.92Å; F28-L142 HydrophobicContact CE1-CD2 4.45Å; F28-L142 HydrophobicContact CZ-CD1 4.39Å; F28-L142 HydrophobicContact CZ-CD2 4.41Å; Y127-L142 HydrophobicContact CD1-CD1 3.35Å; Y127-L142 HydrophobicContact CD1-CG 4.44Å; Y127-L142 HydrophobicContact CD2-CD1 4.01Å; Y127-L142 HydrophobicContact CE1-CD1 3.61Å; Y127-L142 HydrophobicContact CE1-CG 4.5Å; Y127-L142 HydrophobicContact CE2-CD1 4.24Å; Y127-L142 HydrophobicContact CG-CD1 3.56Å; S138-L142 PolarHBondContact O-N 2.64Å; E139-L142 VanDerWaalsContact O-CB 3.27Å; E139-L142 WeakPolarHBondContact O-CB 3.46Å; E139-L142 PolarHBondContact O-N 2.86Å; L142-D145 PolarHBondContact O-N 3.41Å; L142-V146 PolarHBondContact O-N 2.88Å; L142-V146 VanDerWaalsContact O-N 3.12Å; L142-V174 HydrophobicContact CD2-CB 3.91Å; L142-V174 HydrophobicContact CD2-CG1 3.84Å; L142-P175 HydrophobicContact CD2-CG 4.17Å; L142-P175 HydrophobicContact CG-CB 4.13Å; L142-P175 HydrophobicContact CG-CG 3.95Å; L142-F214 HydrophobicContact CD2-CE1 4.38Å
143	Y	98.6	Very high	97.4	Very high	36 Å²	36	36.3 Å²	36.3	14%	0.141	19%	0.193	C	C	.	.	H	α-helix	trans	-67.5	-40.9	175.2	-58.8	-34.2	0	0	0	113.2	E139 N141 D145 V146 D147 V174 D178 K219	E139-Y143 HydrophobicContact CG-CD2 4.26Å; E139-Y143 HydrophobicContact CG-CE2 3.49Å; E139-Y143 VanDerWaalsContact CG-CE2 3.49Å; E139-Y143 WeakPolarHBondContact O-CD2 3.41Å; E139-Y143 PolarHBondContact O-N 2.95Å; E139-Y143 VanDerWaalsContact O-N 3.15Å; E139-Y143 PolarHBondContact OE1-OH 2.76Å; N141-Y143 VanDerWaalsContact C-N 3.27Å; N141-Y143 PolarHBondContact O-N 3.11Å; Y143-D145 VanDerWaalsContact C-N 3.28Å; Y143-D145 PolarHBondContact O-N 2.79Å; Y143-V146 VanDerWaalsContact O-CG1 3.29Å; Y143-V146 WeakPolarHBondContact O-CG1 3.33Å; Y143-D147 WeakPolarHBondContact O-CB 3.14Å; Y143-D147 PolarHBondContact O-N 3.36Å; Y143-D147 VanDerWaalsContact O-N 3.1Å; Y143-V174 HydrophobicContact CE1-CG1 3.81Å; Y143-D178 HydrophobicContact CD1-CB 3.64Å; Y143-D178 HydrophobicContact CE1-CB 3.49Å; Y143-D178 VanDerWaalsContact CE1-CB 3.49Å; Y143-K219 PolarHBondContact OH-NZ 3.19Å
144	A	98.8	Very high	97.4	Very high	4 Å²	4	41 Å²	41	3%	0.033	21%	0.209	C	C	.	.	H	α-helix	trans	-68.3	-29.7	176.3	0	0	0	0	0	112.9	R75 K140 N141 A148	R75-A144 HydrophobicContact CB-CB 4.21Å; R75-A144 HydrophobicContact CG-CB 3.64Å; K140-A144 PolarHBondContact O-N 3.4Å; N141-A144 CarbonylContact O-C 3.47Å; N141-A144 WeakPolarHBondContact O-CA 3.38Å; N141-A144 WeakPolarHBondContact O-CB 3.34Å; N141-A144 PolarHBondContact O-N 3.4Å; A144-A148 WeakPolarHBondContact O-CB 3.1Å; A144-A148 PolarHBondContact O-N 3.47Å; A144-A148 VanDerWaalsContact O-N 3.16Å
145	D	98.9	Very high	97.3	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.011	22%	0.217	C	C	.	.	H	α-helix	trans	-71.7	-48.9	-179.9	-60.8	-26.4	0	0	0	109.6	T73 I79 Y125 S128 N141 L142 Y143 D147 A148 A149	T73-D145 WeakPolarHBondContact CG2-OD1 3.43Å; I79-D145 HydrophobicContact CD1-CB 3.97Å; I79-D145 WeakPolarHBondContact CD1-O 3.28Å; I79-D145 HydrophobicContact CG2-CB 4.35Å; I79-D145 WeakPolarHBondContact CG2-OD1 3.15Å; Y125-D145 HydrophobicContact CD2-CB 4.21Å; Y125-D145 HydrophobicContact CE2-CB 3.97Å; S128-D145 WeakPolarHBondContact CB-OD2 3.41Å; S128-D145 PolarHBondContact N-OD2 3.19Å; S128-D145 VanDerWaalsContact OG-CG 3.32Å; S128-D145 PolarHBondContact OG-OD1 2.67Å; S128-D145 PolarHBondContact OG-OD2 2.77Å; N141-D145 WeakPolarHBondContact O-CB 3.41Å; N141-D145 PolarHBondContact O-N 3.04Å; N141-D145 VanDerWaalsContact O-OD2 3.08Å; L142-D145 PolarHBondContact O-N 3.41Å; Y143-D145 VanDerWaalsContact C-N 3.28Å; Y143-D145 PolarHBondContact O-N 2.79Å; D145-D147 VanDerWaalsContact C-N 3.33Å; D145-D147 PolarHBondContact O-N 2.99Å; D145-A148 PolarHBondContact O-N 2.83Å; D145-A149 WeakPolarHBondContact O-CB 3.41Å; D145-A149 PolarHBondContact O-N 2.74Å
146	V	98.9	Very high	97.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.2	-35.9	176.5	73.7	0	0	0	0	112.5	L95 Y125 L142 Y143 A148 A149 W150 P175 L179	L95-V146 HydrophobicContact CD2-CG2 4.39Å; Y125-V146 HydrophobicContact CE1-CG2 4.26Å; Y125-V146 HydrophobicContact CE2-CB 4.29Å; Y125-V146 VanDerWaalsContact OH-CB 3.27Å; Y125-V146 WeakPolarHBondContact OH-CB 3.31Å; Y125-V146 VanDerWaalsContact OH-CG2 3.3Å; Y125-V146 WeakPolarHBondContact OH-CG2 3.36Å; L142-V146 PolarHBondContact O-N 2.88Å; L142-V146 VanDerWaalsContact O-N 3.12Å; Y143-V146 VanDerWaalsContact O-CG1 3.29Å; Y143-V146 WeakPolarHBondContact O-CG1 3.33Å; V146-A148 VanDerWaalsContact C-N 3.3Å; V146-A148 PolarHBondContact O-N 3.19Å; V146-A149 PolarHBondContact O-N 3.36Å; V146-W150 VanDerWaalsContact O-CB 3.3Å; V146-W150 WeakPolarHBondContact O-CB 3.29Å; V146-W150 PolarHBondContact O-N 3.06Å; V146-P175 HydrophobicContact CB-CB 3.69Å; V146-P175 HydrophobicContact CG1-CB 3.64Å; V146-P175 HydrophobicContact CG2-CB 4.13Å; V146-L179 HydrophobicContact CG1-CB 4.38Å; V146-L179 HydrophobicContact CG2-CB 4.29Å; V146-L179 HydrophobicContact CG2-CD2 3.98Å; V146-L179 HydrophobicContact CG2-CG 4.5Å
147	D	98.8	Very high	97.4	Very high	49 Å²	49	41.1 Å²	41.1	26%	0.262	19%	0.194	S	C	.	.	H	α-helix	trans	-61.3	-41.4	174.1	-82	-20.6	0	0	0	111.3	Y143 D145 H151 R182	Y143-D147 WeakPolarHBondContact O-CB 3.14Å; Y143-D147 PolarHBondContact O-N 3.36Å; Y143-D147 VanDerWaalsContact O-N 3.1Å; D145-D147 VanDerWaalsContact C-N 3.33Å; D145-D147 PolarHBondContact O-N 2.99Å; D147-H151 VanDerWaalsContact O-CB 3.29Å; D147-H151 WeakPolarHBondContact O-CB 3.38Å; D147-H151 PolarHBondContact O-N 3.08Å; D147-R182 IonicContact OD1-CZ 3.25Å; D147-R182 VanDerWaalsContact OD1-CZ 3.25Å; D147-R182 IonicContact OD1-NH1 2.85Å; D147-R182 PolarHBondContact OD1-NH1 2.73Å; D147-R182 IonicContact OD1-NH2 2.72Å; D147-R182 PolarHBondContact OD1-NH2 3.34Å; D147-R182 IonicContact OD2-CZ 3.97Å; D147-R182 IonicContact OD2-NH1 3.44Å; D147-R182 PolarHBondContact OD2-NH1 3.08Å; D147-R182 IonicContact OD2-NH2 3.45Å
148	A	98.9	Very high	97.6	Very high	9 Å²	9	42.4 Å²	42.4	7%	0.074	21%	0.212	C	C	.	.	H	α-helix	trans	-68.7	-39.4	177.2	0	0	0	0	0	111.9	T71 T73 I79 A144 D145 V146 A152	T71-A148 HydrophobicContact CG2-CB 3.97Å; T73-A148 HydrophobicContact CG2-CB 3.92Å; I79-A148 HydrophobicContact CD1-CB 4.11Å; A144-A148 WeakPolarHBondContact O-CB 3.1Å; A144-A148 PolarHBondContact O-N 3.47Å; A144-A148 VanDerWaalsContact O-N 3.16Å; D145-A148 PolarHBondContact O-N 2.83Å; V146-A148 VanDerWaalsContact C-N 3.3Å; V146-A148 PolarHBondContact O-N 3.19Å; A148-A152 VanDerWaalsContact O-CB 3.3Å; A148-A152 WeakPolarHBondContact O-CB 3.49Å; A148-A152 PolarHBondContact O-N 3.47Å
149	A	98.8	Very high	97.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.7	-49.1	175	0	0	0	0	0	111.8	L95 F123 Y125 D145 V146 H151 A152 L153	L95-A149 HydrophobicContact CD1-CB 4.14Å; F123-A149 HydrophobicContact CE1-CB 4Å; F123-A149 WeakPolarHBondContact CE1-O 3.45Å; Y125-A149 HydrophobicContact CD1-CB 3.37Å; Y125-A149 HydrophobicContact CD2-CB 4.09Å; Y125-A149 HydrophobicContact CE1-CB 3.85Å; Y125-A149 HydrophobicContact CE2-CB 4.46Å; Y125-A149 HydrophobicContact CG-CB 3.55Å; D145-A149 WeakPolarHBondContact O-CB 3.41Å; D145-A149 PolarHBondContact O-N 2.74Å; V146-A149 PolarHBondContact O-N 3.36Å; A149-H151 VanDerWaalsContact C-N 3.34Å; A149-H151 PolarHBondContact O-N 3.21Å; A149-A152 PolarHBondContact O-N 3.2Å; A149-L153 WeakPolarHBondContact O-CB 3.4Å; A149-L153 PolarHBondContact O-N 3.49Å
150	W	98.8	Very high	97.9	Very high	8 Å²	8	47 Å²	47	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-58.1	-45.5	174.8	175	-109.9	0	0	0	111.9	L95 V146 L153 R154 P161 V164 V166 L179 Y183	L95-W150 HydrophobicContact CD2-CB 4.21Å; L95-W150 HydrophobicContact CD2-CE3 3.76Å; V146-W150 VanDerWaalsContact O-CB 3.3Å; V146-W150 WeakPolarHBondContact O-CB 3.29Å; V146-W150 PolarHBondContact O-N 3.06Å; W150-L153 PolarHBondContact O-N 3.43Å; W150-R154 WeakPolarHBondContact O-CG 3.34Å; W150-R154 PolarHBondContact O-N 3.25Å; W150-P161 HydrophobicContact CH2-CB 3.77Å; W150-P161 HydrophobicContact CH2-CG 4.28Å; W150-P161 HydrophobicContact CZ2-CB 3.88Å; W150-P161 HydrophobicContact CZ2-CG 3.97Å; W150-V164 HydrophobicContact CE3-CG1 4.41Å; W150-V164 HydrophobicContact CH2-CB 4.38Å; W150-V164 HydrophobicContact CZ3-CB 3.85Å; W150-V164 HydrophobicContact CZ3-CG1 3.71Å; W150-V164 HydrophobicContact CZ3-CG2 4.06Å; W150-V166 HydrophobicContact CZ3-CG2 4.45Å; W150-L179 HydrophobicContact CB-CD1 3.93Å; W150-L179 HydrophobicContact CB-CD2 4.1Å; W150-L179 HydrophobicContact CD2-CD1 4.43Å; W150-L179 HydrophobicContact CD2-CD2 4.04Å; W150-L179 HydrophobicContact CE3-CD2 3.82Å; W150-L179 HydrophobicContact CG-CD1 3.95Å; W150-L179 HydrophobicContact CG-CD2 4.18Å; W150-L179 HydrophobicContact CZ3-CD2 4.47Å; W150-Y183 AromaticContact NE1-CD2 3.99Å; W150-Y183 AromaticContact NE1-CG 3.99Å
151	H	98.6	Very high	98	Very high	110 Å²	110	41.2 Å²	41.2	51%	0.509	20%	0.2	S	C	.	.	H	α-helix	trans	-61.9	-48.9	176.8	-176.7	78.5	0	0	0	111.4	D147 A149 L153 R154 T155	D147-H151 VanDerWaalsContact O-CB 3.29Å; D147-H151 WeakPolarHBondContact O-CB 3.38Å; D147-H151 PolarHBondContact O-N 3.08Å; A149-H151 VanDerWaalsContact C-N 3.34Å; A149-H151 PolarHBondContact O-N 3.21Å; H151-L153 VanDerWaalsContact C-N 3.34Å; H151-L153 PolarHBondContact O-N 2.88Å; H151-R154 PolarHBondContact O-N 3.46Å; H151-T155 WeakPolarHBondContact CE1-CG2 3.44Å; H151-T155 PolarHBondContact O-N 3.32Å; H151-T155 PolarHBondContact O-OG1 2.88Å
152	A	98.4	Very high	98	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-42.7	179.7	0	0	0	0	0	111.9	F69 F123 A148 A149 R154 T155 R156	F69-A152 HydrophobicContact CE2-CB 3.92Å; F69-A152 HydrophobicContact CZ-CB 3.86Å; F123-A152 HydrophobicContact CZ-CB 4.36Å; A148-A152 VanDerWaalsContact O-CB 3.3Å; A148-A152 WeakPolarHBondContact O-CB 3.49Å; A148-A152 PolarHBondContact O-N 3.47Å; A149-A152 PolarHBondContact O-N 3.2Å; A152-R154 VanDerWaalsContact C-N 3.27Å; A152-R154 PolarHBondContact O-N 2.94Å; A152-T155 PolarHBondContact O-N 3.16Å; A152-R156 WeakPolarHBondContact O-CA 3.4Å; A152-R156 WeakPolarHBondContact O-CB 3.29Å; A152-R156 PolarHBondContact O-N 2.93Å
153	L	97.9	Very high	98	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-55.2	-44.9	176.3	-175.9	63.3	0	0	0	111.6	T93 L95 F123 A149 W150 H151 Y157 I159 V164	T93-L153 HydrophobicContact CG2-CD1 4.12Å; L95-L153 HydrophobicContact CB-CD2 4.2Å; F123-L153 HydrophobicContact CB-CD1 3.66Å; F123-L153 HydrophobicContact CD1-CB 4.24Å; F123-L153 HydrophobicContact CD1-CD1 4.12Å; F123-L153 HydrophobicContact CD2-CD1 3.83Å; F123-L153 HydrophobicContact CE1-CB 4.25Å; F123-L153 HydrophobicContact CG-CD1 3.6Å; F123-L153 HydrophobicContact CG-CG 4.48Å; A149-L153 WeakPolarHBondContact O-CB 3.4Å; A149-L153 PolarHBondContact O-N 3.49Å; W150-L153 PolarHBondContact O-N 3.43Å; H151-L153 VanDerWaalsContact C-N 3.34Å; H151-L153 PolarHBondContact O-N 2.88Å; L153-Y157 HydrophobicContact CD1-CD2 4.41Å; L153-Y157 WeakPolarHBondContact O-CB 3.43Å; L153-Y157 PolarHBondContact O-N 2.94Å; L153-I159 HydrophobicContact CD1-CB 4.38Å; L153-I159 HydrophobicContact CD1-CD1 3.5Å; L153-I159 VanDerWaalsContact CD1-CD1 3.5Å; L153-I159 HydrophobicContact CD1-CG1 4.46Å; L153-I159 HydrophobicContact CG-CB 4.22Å; L153-I159 HydrophobicContact CG-CD1 4.27Å; L153-I159 HydrophobicContact CG-CG2 4.36Å; L153-V164 HydrophobicContact CD2-CG1 3.91Å; L153-V164 HydrophobicContact CD2-CG2 3.76Å
154	R	97.6	Very high	98	Very high	107 Å²	107	45.5 Å²	45.5	40%	0.404	22%	0.223	S	C	.	.	H	α-helix	trans	-76.4	-42.6	-177.8	-68	-179.2	60.5	-147.2	-1.2	113.4	W150 H151 A152 G158 I159	W150-R154 WeakPolarHBondContact O-CG 3.34Å; W150-R154 PolarHBondContact O-N 3.25Å; H151-R154 PolarHBondContact O-N 3.46Å; A152-R154 VanDerWaalsContact C-N 3.27Å; A152-R154 PolarHBondContact O-N 2.94Å; R154-G158 WeakPolarHBondContact O-CA 3.44Å; R154-G158 PolarHBondContact O-N 3.44Å; R154-I159 WeakPolarHBondContact CG-O 3.3Å
155	T	97.5	Very high	98	Very high	88 Å²	88	45.4 Å²	45.4	54%	0.54	22%	0.222	S	C	.	.	H	α-helix	trans	-88.6	-36.9	-172.5	58.7	0	0	0	0	113.3	H151 A152	H151-T155 WeakPolarHBondContact CE1-CG2 3.44Å; H151-T155 PolarHBondContact O-N 3.32Å; H151-T155 PolarHBondContact O-OG1 2.88Å; A152-T155 PolarHBondContact O-N 3.16Å
156	R	96.6	Very high	98	Very high	126 Å²	126	45.3 Å²	45.3	48%	0.475	22%	0.222	S	C	.	.	H	α-helix	trans	-76.7	-39.2	178.5	-173.7	177.1	174.2	79.1	2	112	E67 A152	E67-R156 IonicContact OE1-CZ 3.58Å; E67-R156 IonicContact OE1-NE 3.23Å; E67-R156 PolarHBondContact OE1-NE 2.98Å; E67-R156 VanDerWaalsContact OE1-NE 3.16Å; E67-R156 IonicContact OE1-NH2 3.36Å; E67-R156 PolarHBondContact OE1-NH2 3.44Å; A152-R156 WeakPolarHBondContact O-CA 3.4Å; A152-R156 WeakPolarHBondContact O-CB 3.29Å; A152-R156 PolarHBondContact O-N 2.93Å
157	Y	96.4	Very high	98	Very high	46 Å²	46	45.4 Å²	45.4	18%	0.18	22%	0.222	C	C	.	.	H	α-helix	trans	-109.8	-4.2	-174.1	-56.2	-68.3	0	0	0	114.1	E67 F69 F83 F123 L153 I159	E67-Y157 PolarHBondContact OE1-OH 2.89Å; E67-Y157 WeakPolarHBondContact OE2-CE1 3.29Å; E67-Y157 PolarHBondContact OE2-OH 2.91Å; F69-Y157 AromaticContact CE1-CE2 3.89Å; F69-Y157 HydrophobicContact CE1-CE2 3.89Å; F69-Y157 AromaticContact CE1-CZ 3.99Å; F69-Y157 WeakPolarHBondContact CE1-OH 3.42Å; F69-Y157 HydrophobicContact CZ-CE2 4.25Å; F83-Y157 HydrophobicContact CB-CE2 4.27Å; F83-Y157 AromaticContact CD1-CD1 3.7Å; F83-Y157 HydrophobicContact CD1-CD1 3.7Å; F83-Y157 AromaticContact CD1-CD2 3.96Å; F83-Y157 HydrophobicContact CD1-CD2 3.96Å; F83-Y157 AromaticContact CD1-CE1 3.52Å; F83-Y157 HydrophobicContact CD1-CE1 3.52Å; F83-Y157 AromaticContact CD1-CE2 3.79Å; F83-Y157 HydrophobicContact CD1-CE2 3.79Å; F83-Y157 AromaticContact CD1-CG 3.91Å; F83-Y157 HydrophobicContact CD1-CG 3.91Å; F83-Y157 AromaticContact CD1-CZ 3.55Å; F83-Y157 AromaticContact CE1-CD1 3.74Å; F83-Y157 HydrophobicContact CE1-CD1 3.74Å; F83-Y157 HydrophobicContact CE1-CD2 4.21Å; F83-Y157 HydrophobicContact CE1-CE1 4.06Å; F83-Y157 HydrophobicContact CE1-CE2 4.48Å; F83-Y157 AromaticContact CE1-CG 3.82Å; F83-Y157 HydrophobicContact CE1-CG 3.82Å; F83-Y157 HydrophobicContact CG-CE2 4.29Å; F123-Y157 HydrophobicContact CD2-CE2 4.13Å; F123-Y157 HydrophobicContact CE2-CD2 4.37Å; F123-Y157 AromaticContact CE2-CE2 3.75Å; F123-Y157 HydrophobicContact CE2-CE2 3.75Å; L153-Y157 HydrophobicContact CD1-CD2 4.41Å; L153-Y157 WeakPolarHBondContact O-CB 3.43Å; L153-Y157 PolarHBondContact O-N 2.94Å; Y157-I159 PolarHBondContact O-N 3.3Å
158	G	97.2	Very high	98	Very high	54 Å²	54	43 Å²	43	56%	0.557	21%	0.209	S	C	*	.			trans	65.7	16.9	179.8	0	0	0	0	0	113.8	R154 R160	R154-G158 WeakPolarHBondContact O-CA 3.44Å; R154-G158 PolarHBondContact O-N 3.44Å; G158-R160 PolarHBondContact O-N 3.36Å
159	I	97.6	Very high	98	Very high	23 Å²	23	43.6 Å²	43.6	12%	0.118	21%	0.21	C	C	.	.			trans	-72.2	127.2	-177.4	-68.7	170.8	0	0	0	108.7	F83 T93 L153 R154 Y157 V164	F83-I159 HydrophobicContact CE1-CD1 4.27Å; F83-I159 HydrophobicContact CE2-CD1 4.46Å; F83-I159 HydrophobicContact CZ-CD1 3.77Å; T93-I159 HydrophobicContact CG2-CD1 4.16Å; L153-I159 HydrophobicContact CD1-CB 4.38Å; L153-I159 HydrophobicContact CD1-CD1 3.5Å; L153-I159 VanDerWaalsContact CD1-CD1 3.5Å; L153-I159 HydrophobicContact CD1-CG1 4.46Å; L153-I159 HydrophobicContact CG-CB 4.22Å; L153-I159 HydrophobicContact CG-CD1 4.27Å; L153-I159 HydrophobicContact CG-CG2 4.36Å; R154-I159 WeakPolarHBondContact CG-O 3.3Å; Y157-I159 PolarHBondContact O-N 3.3Å; I159-V164 HydrophobicContact CG2-CG2 3.53Å
160	R	97.4	Very high	97.9	Very high	159 Å²	159	44.3 Å²	44.3	60%	0.6	22%	0.215	S	C	*	.			trans	-83.3	143.2	-177	-57.9	-171.8	-62.1	-84.7	-3.1	110.8	G158 E162 T163	G158-R160 PolarHBondContact O-N 3.36Å; R160-E162 VanDerWaalsContact CB-OE2 3.27Å; R160-E162 WeakPolarHBondContact CB-OE2 3.37Å; R160-E162 PolarHBondContact O-N 2.87Å; R160-E162 VanDerWaalsContact O-N 3.12Å; R160-T163 PolarHBondContact O-N 3.26Å; R160-T163 PolarHBondContact O-OG1 2.92Å
161	P	97.5	Very high	97.8	Very high	22 Å²	22	44.5 Å²	44.5	14%	0.143	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-50.5	-38	-178.9	-29	36.7	0	0	0	114.5	W150 T163 V164 S185 A186	W150-P161 HydrophobicContact CH2-CB 3.77Å; W150-P161 HydrophobicContact CH2-CG 4.28Å; W150-P161 HydrophobicContact CZ2-CB 3.88Å; W150-P161 HydrophobicContact CZ2-CG 3.97Å; P161-T163 PolarHBondContact O-N 2.82Å; P161-V164 PolarHBondContact O-N 2.9Å; P161-S185 WeakPolarHBondContact O-CA 3.47Å; P161-A186 PolarHBondContact O-N 2.79Å
162	E	96.9	Very high	97.8	Very high	119 Å²	119	39.2 Å²	39.2	56%	0.556	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-71.5	-3.1	-177.8	-46.8	72.5	-148.7	0	0	112.9	R160 A186	R160-E162 VanDerWaalsContact CB-OE2 3.27Å; R160-E162 WeakPolarHBondContact CB-OE2 3.37Å; R160-E162 PolarHBondContact O-N 2.87Å; R160-E162 VanDerWaalsContact O-N 3.12Å; E162-A186 WeakPolarHBondContact O-CB 3.44Å
163	T	97.3	Very high	97.8	Very high	26 Å²	26	39 Å²	39	16%	0.16	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-115.6	6	174.3	60.3	0	0	0	0	112.5	F92 T93 R160 P161	F92-T163 VanDerWaalsContact CA-O 3.29Å; F92-T163 WeakPolarHBondContact CA-O 3.48Å; T93-T163 PolarHBondContact N-O 2.85Å; R160-T163 PolarHBondContact O-N 3.26Å; R160-T163 PolarHBondContact O-OG1 2.92Å; P161-T163 PolarHBondContact O-N 2.82Å
164	V	98.8	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.1	176.9	-175.6	0	0	0	0	110.2	T93 L95 W150 L153 I159 P161 V166 S185 A186	T93-V164 WeakPolarHBondContact O-CA 3.14Å; L95-V164 HydrophobicContact CB-CG1 3.73Å; W150-V164 HydrophobicContact CE3-CG1 4.41Å; W150-V164 HydrophobicContact CH2-CB 4.38Å; W150-V164 HydrophobicContact CZ3-CB 3.85Å; W150-V164 HydrophobicContact CZ3-CG1 3.71Å; W150-V164 HydrophobicContact CZ3-CG2 4.06Å; L153-V164 HydrophobicContact CD2-CG1 3.91Å; L153-V164 HydrophobicContact CD2-CG2 3.76Å; I159-V164 HydrophobicContact CG2-CG2 3.53Å; P161-V164 PolarHBondContact O-N 2.9Å; V164-V166 HydrophobicContact CG1-CG2 4.48Å; V164-S185 WeakPolarHBondContact O-CB 3.37Å; V164-A186 WeakPolarHBondContact O-CA 3.16Å; V164-A186 WeakPolarHBondContact O-CB 3.2Å; V164-A186 PolarHBondContact O-N 3.2Å
165	I	98.9	Very high	97.9	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.7	166.7	-59.1	170.6	0	0	0	106.8	F92 T93 L94 L95 Y167 A186 A187 V189 V281 L285	F92-I165 HydrophobicContact CB-CD1 3.8Å; F92-I165 HydrophobicContact CB-CG1 4.17Å; F92-I165 HydrophobicContact CD1-CD1 4.42Å; F92-I165 HydrophobicContact CD1-CG1 4.35Å; F92-I165 HydrophobicContact CD2-CD1 4.41Å; F92-I165 HydrophobicContact CG-CD1 3.99Å; F92-I165 HydrophobicContact CG-CG1 4.35Å; T93-I165 PolarHBondContact O-N 3.38Å; L94-I165 CarbonylContact C-O 3.56Å; L94-I165 VanDerWaalsContact CA-O 3.3Å; L94-I165 WeakPolarHBondContact CA-O 3.47Å; L94-I165 HydrophobicContact CD2-CB 3.78Å; L94-I165 HydrophobicContact CD2-CD1 4.04Å; L94-I165 HydrophobicContact CD2-CG1 4.45Å; L94-I165 HydrophobicContact CD2-CG2 4.05Å; L95-I165 PolarHBondContact N-O 3.47Å; I165-Y167 PolarHBondContact O-N 2.74Å; I165-A186 HydrophobicContact CG1-CB 4.27Å; I165-A187 CarbonylContact C-O 3.48Å; I165-A187 WeakPolarHBondContact CA-O 3.42Å; I165-A187 HydrophobicContact CG1-CB 4.47Å; I165-A187 HydrophobicContact CG2-CB 4.31Å; I165-V189 HydrophobicContact CG2-CG2 3.81Å; I165-V281 HydrophobicContact CD1-CG2 3.85Å; I165-L285 HydrophobicContact CD1-CD1 3.56Å; I165-L285 HydrophobicContact CG1-CD1 3.92Å
166	V	98.9	Very high	97.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	117.2	175.3	-179.1	0	0	0	0	108	W150 V164 L179 A187 V188 V189	W150-V166 HydrophobicContact CZ3-CG2 4.45Å; V164-V166 HydrophobicContact CG1-CG2 4.48Å; V166-L179 HydrophobicContact CG1-CD2 4.5Å; V166-L179 HydrophobicContact CG2-CD2 4.16Å; V166-A187 PolarHBondContact N-O 2.95Å; V166-V188 HydrophobicContact CB-CG2 4.41Å; V166-V188 CarbonylContact O-C 3.56Å; V166-V188 VanDerWaalsContact O-CA 3.25Å; V166-V188 WeakPolarHBondContact O-CA 3.23Å; V166-V189 PolarHBondContact O-N 3.23Å
167	Y	98.9	Very high	98.1	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.4	-177.8	-168.1	-66.2	0	0	0	109.1	L94 L95 F96 S97 I165 Q169 S176 V189 H191 Y273 L277	L94-Y167 HydrophobicContact CD1-CD2 4.48Å; L95-Y167 PolarHBondContact O-N 3.19Å; F96-Y167 CarbonylContact C-O 3.54Å; F96-Y167 WeakPolarHBondContact CA-O 3.27Å; F96-Y167 HydrophobicContact CD1-CD1 4.37Å; F96-Y167 AromaticContact CD2-CD1 3.46Å; F96-Y167 HydrophobicContact CD2-CD1 3.46Å; F96-Y167 VanDerWaalsContact CD2-CD1 3.46Å; F96-Y167 HydrophobicContact CD2-CD2 4.32Å; F96-Y167 HydrophobicContact CD2-CE1 4.07Å; F96-Y167 AromaticContact CD2-CG 3.64Å; F96-Y167 HydrophobicContact CD2-CG 3.64Å; F96-Y167 HydrophobicContact CE1-CD1 4.11Å; F96-Y167 HydrophobicContact CE1-CE1 4.28Å; F96-Y167 AromaticContact CE2-CD1 3.14Å; F96-Y167 HydrophobicContact CE2-CD1 3.14Å; F96-Y167 HydrophobicContact CE2-CD2 4.16Å; F96-Y167 AromaticContact CE2-CE1 3.26Å; F96-Y167 HydrophobicContact CE2-CE1 3.26Å; F96-Y167 HydrophobicContact CE2-CE2 4.23Å; F96-Y167 AromaticContact CE2-CG 3.66Å; F96-Y167 HydrophobicContact CE2-CG 3.66Å; F96-Y167 AromaticContact CE2-CZ 3.83Å; F96-Y167 HydrophobicContact CG-CD1 4.08Å; F96-Y167 HydrophobicContact CG-CG 4.41Å; F96-Y167 AromaticContact CZ-CD1 3.51Å; F96-Y167 HydrophobicContact CZ-CD1 3.51Å; F96-Y167 AromaticContact CZ-CE1 3.39Å; F96-Y167 HydrophobicContact CZ-CE1 3.39Å; F96-Y167 HydrophobicContact CZ-CG 4.45Å; S97-Y167 PolarHBondContact N-O 3.45Å; I165-Y167 PolarHBondContact O-N 2.74Å; Y167-Q169 HydrophobicContact CE1-CB 4.31Å; Y167-S176 PolarHBondContact O-OG 3.49Å; Y167-V189 WeakPolarHBondContact CA-O 3.5Å; Y167-V189 HydrophobicContact CD2-CB 3.53Å; Y167-V189 HydrophobicContact CD2-CG1 3.65Å; Y167-V189 HydrophobicContact CD2-CG2 4.06Å; Y167-V189 HydrophobicContact CE2-CB 3.86Å; Y167-V189 HydrophobicContact CE2-CG1 3.4Å; Y167-V189 HydrophobicContact CE2-CG2 4.46Å; Y167-V189 HydrophobicContact CG-CB 4.11Å; Y167-V189 HydrophobicContact CG-CG1 4.42Å; Y167-H191 HydrophobicContact CE1-CB 3.85Å; Y167-H191 WeakPolarHBondContact OH-CB 3.49Å; Y167-H191 PolarHBondContact OH-ND1 2.75Å; Y167-Y273 WeakPolarHBondContact OH-CE2 3.49Å; Y167-Y273 PolarHBondContact OH-OH 2.91Å; Y167-L277 HydrophobicContact CE2-CD2 4.31Å
168	G	98.8	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.2	171	0	0	0	0	0	111.4	G172 T173 V189 H191	G168-G172 WeakPolarHBondContact CA-O 3.43Å; G168-T173 WeakPolarHBondContact O-CG2 3.2Å; G168-V189 PolarHBondContact N-O 3.42Å; G168-H191 PolarHBondContact O-N 2.88Å
169	Q	98.6	Very high	98.2	Very high	21 Å²	21	20.1 Å²	20.1	10%	0.098	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129	171.3	-176.2	-178.9	8.2	0	0	110.4	F96 S97 G99 Y167 I171 G172 H191	F96-Q169 HydrophobicContact CE1-CB 4.35Å; F96-Q169 HydrophobicContact CZ-CB 4.41Å; S97-Q169 PolarHBondContact O-N 3.09Å; S97-Q169 VanDerWaalsContact O-N 3.1Å; G99-Q169 WeakPolarHBondContact CA-O 3.42Å; Y167-Q169 HydrophobicContact CE1-CB 4.31Å; Q169-I171 PolarHBondContact O-N 2.91Å; Q169-G172 WeakPolarHBondContact O-CA 3.3Å; Q169-G172 PolarHBondContact O-N 2.83Å; Q169-H191 CarbonylContact C-O 3.54Å; Q169-H191 WeakPolarHBondContact CA-O 3.47Å; Q169-H191 HydrophobicContact CB-CB 4.4Å; Q169-H191 HydrophobicContact CG-CB 4.45Å
170	S	97.3	Very high	98.3	Very high	14 Å²	14	19.1 Å²	19.1	10%	0.098	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	51.8	-121.6	177.9	-174.9	0	0	0	0	111	G172 T173 H191 S192 L194 H264	S170-G172 PolarHBondContact O-N 2.85Å; S170-G172 VanDerWaalsContact O-N 3.13Å; S170-T173 WeakPolarHBondContact O-CB 3.46Å; S170-T173 WeakPolarHBondContact O-CG2 3.46Å; S170-T173 PolarHBondContact O-N 3.13Å; S170-T173 PolarHBondContact O-OG1 3.21Å; S170-H191 PolarHBondContact N-O 3.18Å; S170-S192 WeakPolarHBondContact CA-O 3.4Å; S170-L194 WeakPolarHBondContact O-CD2 3.43Å; S170-H264 VanDerWaalsContact CB-NE2 3.3Å; S170-H264 WeakPolarHBondContact CB-NE2 3.21Å; S170-H264 PolarHBondContact OG-CE1 3.14Å; S170-H264 PolarHBondContact OG-NE2 3.09Å
171	I	96.6	Very high	98.3	Very high	12 Å²	12	12.7 Å²	12.7	6%	0.062	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-56.3	-27.6	174.8	-161.3	165.6	0	0	0	113.7	F28 N100 Y127 Q169 T173 V174 P175 F214	F28-I171 HydrophobicContact CD1-CD1 3.68Å; F28-I171 HydrophobicContact CE1-CD1 3.38Å; F28-I171 HydrophobicContact CE1-CG1 4.29Å; F28-I171 HydrophobicContact CZ-CD1 4.08Å; N100-I171 HydrophobicContact CB-CG2 3.95Å; Y127-I171 HydrophobicContact CE2-CG2 4.41Å; Q169-I171 PolarHBondContact O-N 2.91Å; I171-T173 PolarHBondContact O-N 3.32Å; I171-V174 HydrophobicContact CG1-CG2 4.48Å; I171-V174 VanDerWaalsContact O-CB 3.27Å; I171-V174 WeakPolarHBondContact O-CB 3.42Å; I171-V174 VanDerWaalsContact O-CG2 3.26Å; I171-V174 WeakPolarHBondContact O-CG2 3.43Å; I171-V174 PolarHBondContact O-N 3.1Å; I171-P175 WeakPolarHBondContact O-CD 3.37Å; I171-F214 HydrophobicContact CD1-CE2 4.44Å; I171-F214 HydrophobicContact CD1-CZ 4.41Å
172	G	98.5	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-64.8	-14.5	174.8	0	0	0	0	0	114	S97 Y127 G168 Q169 S170 V174 P175 S176	S97-G172 WeakPolarHBondContact CB-O 3.39Å; Y127-G172 WeakPolarHBondContact OH-CA 3.42Å; G168-G172 WeakPolarHBondContact CA-O 3.43Å; Q169-G172 WeakPolarHBondContact O-CA 3.3Å; Q169-G172 PolarHBondContact O-N 2.83Å; S170-G172 PolarHBondContact O-N 2.85Å; S170-G172 VanDerWaalsContact O-N 3.13Å; G172-V174 PolarHBondContact O-N 3.09Å; G172-P175 VanDerWaalsContact O-CD 3.25Å; G172-P175 WeakPolarHBondContact O-CD 3.49Å; G172-P175 WeakPolarHBondContact O-CG 3.3Å; G172-S176 WeakPolarHBondContact O-CB 3.35Å; G172-S176 PolarHBondContact O-N 3.02Å; G172-S176 PolarHBondContact O-OG 3.12Å
173	T	98.8	Very high	98.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-68.9	-24.1	171.8	63.3	0	0	0	0	112.4	G168 S170 I171 S176 V177 L190 P193 L194	G168-T173 WeakPolarHBondContact O-CG2 3.2Å; S170-T173 WeakPolarHBondContact O-CB 3.46Å; S170-T173 WeakPolarHBondContact O-CG2 3.46Å; S170-T173 PolarHBondContact O-N 3.13Å; S170-T173 PolarHBondContact O-OG1 3.21Å; I171-T173 PolarHBondContact O-N 3.32Å; T173-S176 PolarHBondContact O-N 2.86Å; T173-V177 WeakPolarHBondContact O-CB 3.37Å; T173-V177 VanDerWaalsContact O-CG2 3.28Å; T173-V177 WeakPolarHBondContact O-CG2 3.33Å; T173-V177 PolarHBondContact O-N 2.91Å; T173-L190 HydrophobicContact CG2-CB 4.4Å; T173-L190 HydrophobicContact CG2-CD2 4.19Å; T173-P193 HydrophobicContact CG2-CB 3.72Å; T173-L194 WeakPolarHBondContact OG1-CD2 3.37Å
174	V	98.4	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.2	-56.2	179.2	-179.3	0	0	0	0	113.2	L142 Y143 I171 G172 S176 D178 L194 F214 N216	L142-V174 HydrophobicContact CD2-CB 3.91Å; L142-V174 HydrophobicContact CD2-CG1 3.84Å; Y143-V174 HydrophobicContact CE1-CG1 3.81Å; I171-V174 HydrophobicContact CG1-CG2 4.48Å; I171-V174 VanDerWaalsContact O-CB 3.27Å; I171-V174 WeakPolarHBondContact O-CB 3.42Å; I171-V174 VanDerWaalsContact O-CG2 3.26Å; I171-V174 WeakPolarHBondContact O-CG2 3.43Å; I171-V174 PolarHBondContact O-N 3.1Å; G172-V174 PolarHBondContact O-N 3.09Å; V174-S176 VanDerWaalsContact C-N 3.29Å; V174-S176 PolarHBondContact O-N 2.79Å; V174-D178 WeakPolarHBondContact O-CB 3.38Å; V174-D178 PolarHBondContact O-N 2.57Å; V174-L194 HydrophobicContact CG2-CD1 4.4Å; V174-L194 HydrophobicContact CG2-CD2 3.68Å; V174-L194 HydrophobicContact CG2-CG 4.22Å; V174-F214 HydrophobicContact CB-CB 4.32Å; V174-F214 HydrophobicContact CB-CD1 4.46Å; V174-F214 HydrophobicContact CG1-CB 3.7Å; V174-F214 HydrophobicContact CG1-CD1 3.58Å; V174-F214 HydrophobicContact CG1-CE1 4.49Å; V174-F214 HydrophobicContact CG1-CG 3.94Å; V174-F214 HydrophobicContact CG2-CB 3.62Å; V174-F214 HydrophobicContact CG2-CD1 4.32Å; V174-F214 HydrophobicContact CG2-CG 3.96Å; V174-N216 WeakPolarHBondContact CA-OD1 3.28Å
175	P	98.7	Very high	98.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.6	-33.2	175.6	25.9	-33	0	0	0	111.7	Y127 L142 V146 I171 G172 D178 L179	Y127-P175 HydrophobicContact CE1-CG 4.33Å; L142-P175 HydrophobicContact CD2-CG 4.17Å; L142-P175 HydrophobicContact CG-CB 4.13Å; L142-P175 HydrophobicContact CG-CG 3.95Å; V146-P175 HydrophobicContact CB-CB 3.69Å; V146-P175 HydrophobicContact CG1-CB 3.64Å; V146-P175 HydrophobicContact CG2-CB 4.13Å; I171-P175 WeakPolarHBondContact O-CD 3.37Å; G172-P175 VanDerWaalsContact O-CD 3.25Å; G172-P175 WeakPolarHBondContact O-CD 3.49Å; G172-P175 WeakPolarHBondContact O-CG 3.3Å; P175-D178 PolarHBondContact O-N 2.81Å; P175-L179 VanDerWaalsContact O-CB 3.31Å; P175-L179 WeakPolarHBondContact O-CB 3.3Å; P175-L179 PolarHBondContact O-N 2.78Å
176	S	98.9	Very high	98.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.3	-46.1	-179.8	-70	0	0	0	0	112.6	S97 Y167 G172 T173 V174 A180	S97-S176 PolarHBondContact OG-OG 3.03Å; S97-S176 VanDerWaalsContact OG-OG 3.07Å; Y167-S176 PolarHBondContact O-OG 3.49Å; G172-S176 WeakPolarHBondContact O-CB 3.35Å; G172-S176 PolarHBondContact O-N 3.02Å; G172-S176 PolarHBondContact O-OG 3.12Å; T173-S176 PolarHBondContact O-N 2.86Å; V174-S176 VanDerWaalsContact C-N 3.29Å; V174-S176 PolarHBondContact O-N 2.79Å; S176-A180 VanDerWaalsContact O-CB 3.28Å; S176-A180 WeakPolarHBondContact O-CB 3.39Å; S176-A180 PolarHBondContact O-N 2.86Å
177	V	98.9	Very high	98.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.9	-41.1	175.2	172.4	0	0	0	0	110.9	T173 L179 A180 A181 L190 N216 K219 I220 V223	T173-V177 WeakPolarHBondContact O-CB 3.37Å; T173-V177 VanDerWaalsContact O-CG2 3.28Å; T173-V177 WeakPolarHBondContact O-CG2 3.33Å; T173-V177 PolarHBondContact O-N 2.91Å; V177-L179 PolarHBondContact O-N 2.96Å; V177-A180 PolarHBondContact O-N 3.29Å; V177-A181 VanDerWaalsContact O-CB 3.23Å; V177-A181 WeakPolarHBondContact O-CB 3.18Å; V177-A181 PolarHBondContact O-N 3.49Å; V177-L190 HydrophobicContact CG2-CD1 3.95Å; V177-L190 HydrophobicContact CG2-CD2 3.67Å; V177-L190 HydrophobicContact CG2-CG 4.5Å; V177-N216 HydrophobicContact CG1-CB 4.38Å; V177-K219 HydrophobicContact CG1-CB 3.76Å; V177-I220 HydrophobicContact CG1-CB 4.42Å; V177-I220 HydrophobicContact CG1-CD1 4.31Å; V177-I220 HydrophobicContact CG2-CD1 4.18Å; V177-V223 HydrophobicContact CG1-CG2 4.43Å
178	D	98.8	Very high	98.3	Very high	22 Å²	22	21.3 Å²	21.3	12%	0.118	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-43.6	177.1	-176.7	87.9	0	0	0	112.9	Y143 V174 P175 R182 K219	Y143-D178 HydrophobicContact CD1-CB 3.64Å; Y143-D178 HydrophobicContact CE1-CB 3.49Å; Y143-D178 VanDerWaalsContact CE1-CB 3.49Å; V174-D178 WeakPolarHBondContact O-CB 3.38Å; V174-D178 PolarHBondContact O-N 2.57Å; P175-D178 PolarHBondContact O-N 2.81Å; D178-R182 PolarHBondContact O-NE 2.84Å; D178-R182 IonicContact OD2-CZ 3.4Å; D178-R182 IonicContact OD2-NE 3.2Å; D178-R182 PolarHBondContact OD2-NE 3.34Å; D178-R182 IonicContact OD2-NH2 3.34Å; D178-R182 PolarHBondContact OD2-NH2 2.99Å; D178-K219 HydrophobicContact CB-CD 4.32Å; D178-K219 IonicContact OD1-NZ 2.74Å; D178-K219 PolarHBondContact OD1-NZ 3.2Å
179	L	98.8	Very high	98.3	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-65.3	-50.2	176.9	-174.4	78.4	0	0	0	110.8	L95 V146 W150 V166 P175 V177 A181 R182 Y183	L95-L179 HydrophobicContact CD2-CD2 3.63Å; V146-L179 HydrophobicContact CG1-CB 4.38Å; V146-L179 HydrophobicContact CG2-CB 4.29Å; V146-L179 HydrophobicContact CG2-CD2 3.98Å; V146-L179 HydrophobicContact CG2-CG 4.5Å; W150-L179 HydrophobicContact CB-CD1 3.93Å; W150-L179 HydrophobicContact CB-CD2 4.1Å; W150-L179 HydrophobicContact CD2-CD1 4.43Å; W150-L179 HydrophobicContact CD2-CD2 4.04Å; W150-L179 HydrophobicContact CE3-CD2 3.82Å; W150-L179 HydrophobicContact CG-CD1 3.95Å; W150-L179 HydrophobicContact CG-CD2 4.18Å; W150-L179 HydrophobicContact CZ3-CD2 4.47Å; V166-L179 HydrophobicContact CG1-CD2 4.5Å; V166-L179 HydrophobicContact CG2-CD2 4.16Å; P175-L179 VanDerWaalsContact O-CB 3.31Å; P175-L179 WeakPolarHBondContact O-CB 3.3Å; P175-L179 PolarHBondContact O-N 2.78Å; V177-L179 PolarHBondContact O-N 2.96Å; L179-A181 PolarHBondContact O-N 2.64Å; L179-R182 PolarHBondContact O-N 3.13Å; L179-Y183 HydrophobicContact CD1-CD2 3.67Å; L179-Y183 HydrophobicContact CD1-CE2 3.93Å; L179-Y183 HydrophobicContact CG-CD2 4.16Å; L179-Y183 PolarHBondContact O-N 2.99Å
180	A	98.8	Very high	98.3	Very high	2 Å²	2	20.4 Å²	20.4	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-69.8	-20.4	-176.4	0	0	0	0	0	113.7	S176 V177 R182 Y183 V188 V223	S176-A180 VanDerWaalsContact O-CB 3.28Å; S176-A180 WeakPolarHBondContact O-CB 3.39Å; S176-A180 PolarHBondContact O-N 2.86Å; V177-A180 PolarHBondContact O-N 3.29Å; A180-R182 PolarHBondContact O-N 2.9Å; A180-Y183 WeakPolarHBondContact CA-O 3.44Å; A180-V188 HydrophobicContact CB-CG2 3.43Å; A180-V188 VanDerWaalsContact CB-CG2 3.43Å; A180-V223 HydrophobicContact CB-CG1 3.98Å; A180-V223 HydrophobicContact CB-CG2 4.05Å
181	A	98.6	Very high	98.4	Very high	24 Å²	24	19.7 Å²	19.7	20%	0.198	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.8	170.6	0	0	0	0	0	113	V177 L179 K219 K222 V223	V177-A181 VanDerWaalsContact O-CB 3.23Å; V177-A181 WeakPolarHBondContact O-CB 3.18Å; V177-A181 PolarHBondContact O-N 3.49Å; L179-A181 PolarHBondContact O-N 2.64Å; A181-K219 HydrophobicContact CB-CB 4.45Å; A181-K222 HydrophobicContact CB-CB 3.89Å; A181-V223 HydrophobicContact CB-CG2 4.33Å
182	R	98.1	Very high	98.5	Very high	104 Å²	104	19.2 Å²	19.2	39%	0.392	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-28.5	-179.2	-66.5	-177.7	-72.2	127.5	-2.8	113.2	D147 D178 L179 A180	D147-R182 IonicContact OD1-CZ 3.25Å; D147-R182 VanDerWaalsContact OD1-CZ 3.25Å; D147-R182 IonicContact OD1-NH1 2.85Å; D147-R182 PolarHBondContact OD1-NH1 2.73Å; D147-R182 IonicContact OD1-NH2 2.72Å; D147-R182 PolarHBondContact OD1-NH2 3.34Å; D147-R182 IonicContact OD2-CZ 3.97Å; D147-R182 IonicContact OD2-NH1 3.44Å; D147-R182 PolarHBondContact OD2-NH1 3.08Å; D147-R182 IonicContact OD2-NH2 3.45Å; D178-R182 PolarHBondContact O-NE 2.84Å; D178-R182 IonicContact OD2-CZ 3.4Å; D178-R182 IonicContact OD2-NE 3.2Å; D178-R182 PolarHBondContact OD2-NE 3.34Å; D178-R182 IonicContact OD2-NH2 3.34Å; D178-R182 PolarHBondContact OD2-NH2 2.99Å; L179-R182 PolarHBondContact O-N 3.13Å; A180-R182 PolarHBondContact O-N 2.9Å
183	Y	97.5	Very high	98.5	Very high	99 Å²	99	19.2 Å²	19.2	39%	0.388	9%	0.091	S	C	.	.	S	Bend	trans	-130.9	136	-177.4	-56.7	-72.6	0	0	0	110.9	W150 L179 A180	W150-Y183 AromaticContact NE1-CD2 3.99Å; W150-Y183 AromaticContact NE1-CG 3.99Å; L179-Y183 HydrophobicContact CD1-CD2 3.67Å; L179-Y183 HydrophobicContact CD1-CE2 3.93Å; L179-Y183 HydrophobicContact CG-CD2 4.16Å; L179-Y183 PolarHBondContact O-N 2.99Å; A180-Y183 WeakPolarHBondContact CA-O 3.44Å
184	E	96.5	Very high	98.4	Very high	123 Å²	123	19.7 Å²	19.7	58%	0.575	9%	0.094	S	C	*	.			trans	-72.8	144.4	169	-168	168.6	-166.7	0	0	110.4
185	S	97.9	Very high	98.3	Very high	6 Å²	6	20 Å²	20	4%	0.042	10%	0.095	C	C	.	.			trans	-140.1	173.9	179.6	62.9	0	0	0	0	108.8	P161 V164 A187 S225	P161-S185 WeakPolarHBondContact O-CA 3.47Å; V164-S185 WeakPolarHBondContact O-CB 3.37Å; S185-A187 PolarHBondContact O-N 3.33Å; S185-A187 PolarHBondContact OG-O 2.85Å; S185-S225 PolarHBondContact N-OG 3.19Å; S185-S225 PolarHBondContact O-OG 3.41Å; S185-S225 PolarHBondContact OG-OG 2.68Å
186	A	98.1	Very high	98.2	Very high	18 Å²	18	20 Å²	20	15%	0.149	10%	0.095	C	C	.	.	S	Bend	trans	-58.8	-40.4	176.4	0	0	0	0	0	111.3	F92 P161 E162 V164 I165	F92-A186 HydrophobicContact CD1-CB 3.95Å; F92-A186 HydrophobicContact CE1-CB 3.83Å; P161-A186 PolarHBondContact O-N 2.79Å; E162-A186 WeakPolarHBondContact O-CB 3.44Å; V164-A186 WeakPolarHBondContact O-CA 3.16Å; V164-A186 WeakPolarHBondContact O-CB 3.2Å; V164-A186 PolarHBondContact O-N 3.2Å; I165-A186 HydrophobicContact CG1-CB 4.27Å
187	A	98.7	Very high	97.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.8	168.6	179	0	0	0	0	0	111.9	I165 V166 S185 P226 F280 L285	I165-A187 CarbonylContact C-O 3.48Å; I165-A187 WeakPolarHBondContact CA-O 3.42Å; I165-A187 HydrophobicContact CG1-CB 4.47Å; I165-A187 HydrophobicContact CG2-CB 4.31Å; V166-A187 PolarHBondContact N-O 2.95Å; S185-A187 PolarHBondContact O-N 3.33Å; S185-A187 PolarHBondContact OG-O 2.85Å; A187-P226 CarbonylContact C-O 3.59Å; A187-P226 WeakPolarHBondContact CA-O 3.47Å; A187-P226 HydrophobicContact CB-CB 4.48Å; A187-F280 HydrophobicContact CB-CE1 3.76Å; A187-F280 HydrophobicContact CB-CZ 3.53Å; A187-L285 HydrophobicContact CB-CD1 3.93Å; A187-L285 HydrophobicContact CB-CD2 3.64Å; A187-L285 HydrophobicContact CB-CG 4.44Å
188	V	98.9	Very high	97.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.8	169.3	-174.7	0	0	0	0	109.7	V166 A180 L190 V223 P226 V227 L228	V166-V188 HydrophobicContact CB-CG2 4.41Å; V166-V188 CarbonylContact O-C 3.56Å; V166-V188 VanDerWaalsContact O-CA 3.25Å; V166-V188 WeakPolarHBondContact O-CA 3.23Å; A180-V188 HydrophobicContact CB-CG2 3.43Å; A180-V188 VanDerWaalsContact CB-CG2 3.43Å; V188-L190 HydrophobicContact CG1-CD2 3.58Å; V188-L190 HydrophobicContact CG1-CG 3.98Å; V188-V223 HydrophobicContact CG2-CG1 3.84Å; V188-P226 PolarHBondContact N-O 3.35Å; V188-V227 HydrophobicContact CB-CG1 4.37Å; V188-V227 HydrophobicContact CB-CG2 4.28Å; V188-V227 WeakPolarHBondContact O-CA 3.44Å; V188-L228 PolarHBondContact O-N 2.95Å
189	V	98.9	Very high	97.1	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.1	167.6	-177.1	0	0	0	0	108.8	I165 V166 Y167 G168 L228 I230 L277 F280	I165-V189 HydrophobicContact CG2-CG2 3.81Å; V166-V189 PolarHBondContact O-N 3.23Å; Y167-V189 WeakPolarHBondContact CA-O 3.5Å; Y167-V189 HydrophobicContact CD2-CB 3.53Å; Y167-V189 HydrophobicContact CD2-CG1 3.65Å; Y167-V189 HydrophobicContact CD2-CG2 4.06Å; Y167-V189 HydrophobicContact CE2-CB 3.86Å; Y167-V189 HydrophobicContact CE2-CG1 3.4Å; Y167-V189 HydrophobicContact CE2-CG2 4.46Å; Y167-V189 HydrophobicContact CG-CB 4.11Å; Y167-V189 HydrophobicContact CG-CG1 4.42Å; G168-V189 PolarHBondContact N-O 3.42Å; V189-L228 CarbonylContact C-O 3.56Å; V189-L228 WeakPolarHBondContact CA-O 3.35Å; V189-L228 HydrophobicContact CG1-CD2 4.42Å; V189-L228 HydrophobicContact CG1-CG 4.49Å; V189-L228 HydrophobicContact CG2-CB 4.34Å; V189-L228 HydrophobicContact CG2-CD2 4.39Å; V189-I230 HydrophobicContact CG1-CD1 3.98Å; V189-I230 HydrophobicContact CG1-CG1 4.43Å; V189-L277 HydrophobicContact CG1-CD2 4.26Å; V189-L277 HydrophobicContact CG2-CD2 4.42Å; V189-F280 HydrophobicContact CG2-CD1 4.19Å; V189-F280 HydrophobicContact CG2-CE1 3.83Å
190	L	98.9	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	106.1	176.9	-59	-174.4	0	0	0	108.9	T173 V177 V188 P193 I220 V227 L228 V229 I230	T173-L190 HydrophobicContact CG2-CB 4.4Å; T173-L190 HydrophobicContact CG2-CD2 4.19Å; V177-L190 HydrophobicContact CG2-CD1 3.95Å; V177-L190 HydrophobicContact CG2-CD2 3.67Å; V177-L190 HydrophobicContact CG2-CG 4.5Å; V188-L190 HydrophobicContact CG1-CD2 3.58Å; V188-L190 HydrophobicContact CG1-CG 3.98Å; L190-P193 HydrophobicContact CB-CB 4.05Å; L190-P193 HydrophobicContact CB-CG 4.04Å; L190-I220 HydrophobicContact CD1-CD1 3.86Å; L190-V227 HydrophobicContact CD1-CG1 3.98Å; L190-V227 HydrophobicContact CG-CG1 4.09Å; L190-L228 PolarHBondContact N-O 2.9Å; L190-V229 HydrophobicContact CB-CG2 4.45Å; L190-V229 WeakPolarHBondContact O-CA 3.22Å; L190-I230 PolarHBondContact O-N 3.05Å
191	H	98.8	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.1	179.5	-179.9	-171.4	0	0	0	109.9	Y167 G168 Q169 S170 I230 V267 E268 Y273	Y167-H191 HydrophobicContact CE1-CB 3.85Å; Y167-H191 WeakPolarHBondContact OH-CB 3.49Å; Y167-H191 PolarHBondContact OH-ND1 2.75Å; G168-H191 PolarHBondContact O-N 2.88Å; Q169-H191 CarbonylContact C-O 3.54Å; Q169-H191 WeakPolarHBondContact CA-O 3.47Å; Q169-H191 HydrophobicContact CB-CB 4.4Å; Q169-H191 HydrophobicContact CG-CB 4.45Å; S170-H191 PolarHBondContact N-O 3.18Å; H191-I230 CarbonylContact C-O 3.52Å; H191-I230 WeakPolarHBondContact CA-O 3.16Å; H191-V267 VanDerWaalsContact NE2-CB 3.34Å; H191-V267 WeakPolarHBondContact NE2-CB 3.42Å; H191-V267 WeakPolarHBondContact NE2-CG1 3.5Å; H191-E268 IonicContact CE1-OE2 3.52Å; H191-Y273 AromaticContact CE1-CE2 3.95Å; H191-Y273 AromaticContact ND1-CE2 3.99Å
192	S	98.4	Very high	95.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	16%	0.157	C	C	.	.	S	Bend	trans	46.9	53.9	-174.6	-54.1	0	0	0	0	112.7	S170 I230	S170-S192 WeakPolarHBondContact CA-O 3.4Å; S192-I230 PolarHBondContact N-O 3.03Å
193	P	98.5	Very high	95.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.			trans	-72.6	153.7	-172.1	33.1	-39	0	0	0	112.8	T173 L190 V229 I238 H242 L246	T173-P193 HydrophobicContact CG2-CB 3.72Å; L190-P193 HydrophobicContact CB-CB 4.05Å; L190-P193 HydrophobicContact CB-CG 4.04Å; P193-V229 HydrophobicContact CG-CG1 4Å; P193-I238 VanDerWaalsContact O-CG2 3.28Å; P193-I238 WeakPolarHBondContact O-CG2 3.41Å; P193-H242 WeakPolarHBondContact O-CB 3.48Å; P193-L246 HydrophobicContact CB-CD1 3.55Å; P193-L246 HydrophobicContact CG-CD1 3.8Å
194	L	97.1	Very high	94.7	Very high	11 Å²	11	32.7 Å²	32.7	6%	0.058	19%	0.188	C	C	.	.			trans	-100.9	143	167.6	66.8	165.2	0	0	0	112.1	S170 T173 V174 V200 F214 N216 I238 H242	S170-L194 WeakPolarHBondContact O-CD2 3.43Å; T173-L194 WeakPolarHBondContact OG1-CD2 3.37Å; V174-L194 HydrophobicContact CG2-CD1 4.4Å; V174-L194 HydrophobicContact CG2-CD2 3.68Å; V174-L194 HydrophobicContact CG2-CG 4.22Å; L194-V200 HydrophobicContact CB-CG2 3.77Å; L194-V200 HydrophobicContact CD1-CG2 4.03Å; L194-F214 HydrophobicContact CD1-CB 4.44Å; L194-F214 HydrophobicContact CD1-CD2 4.31Å; L194-N216 WeakPolarHBondContact O-CB 3.1Å; L194-N216 PolarHBondContact O-ND2 3.19Å; L194-I238 HydrophobicContact CB-CD1 4.26Å; L194-I238 HydrophobicContact CB-CG2 4.03Å; L194-H242 WeakPolarHBondContact CA-ND1 3.36Å
195	T	97.3	Very high	94.3	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.031	17%	0.166	C	C	.	.	S	Bend	trans	-74.3	-39.9	172.9	53.9	0	0	0	0	112.3	R199 P215 N216 I217 H242 A245 L246	T195-R199 WeakPolarHBondContact OG1-CB 3.27Å; T195-R199 VanDerWaalsContact OG1-CD 3.27Å; T195-R199 WeakPolarHBondContact OG1-CD 3.18Å; T195-P215 CarbonylContact O-C 3.58Å; T195-N216 PolarHBondContact O-N 3.05Å; T195-I217 HydrophobicContact CG2-CD1 4.02Å; T195-I217 PolarHBondContact O-N 3.23Å; T195-H242 HydrophobicContact CG2-CB 3.98Å; T195-H242 PolarHBondContact N-ND1 3.19Å; T195-H242 VanDerWaalsContact N-ND1 3.13Å; T195-H242 PolarHBondContact OG1-CE1 2.77Å; T195-H242 VanDerWaalsContact OG1-CE1 3.23Å; T195-H242 PolarHBondContact OG1-ND1 3.24Å; T195-A245 HydrophobicContact CG2-CB 3.95Å; T195-L246 HydrophobicContact CG2-CD2 4.31Å; T195-L246 HydrophobicContact CG2-CG 3.99Å
196	S	96	Very high	93.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.204	C	C	.	.			trans	-171.9	159.3	177.1	57.9	0	0	0	0	110.5	R199 V200 D212 F214	S196-R199 PolarHBondContact O-N 3.16Å; S196-R199 VanDerWaalsContact OG-CB 3.29Å; S196-R199 WeakPolarHBondContact OG-CB 3.2Å; S196-R199 VanDerWaalsContact OG-CD 3.31Å; S196-R199 WeakPolarHBondContact OG-CD 3.36Å; S196-R199 WeakPolarHBondContact OG-CG 3.39Å; S196-R199 PolarHBondContact OG-N 2.76Å; S196-R199 PolarHBondContact OG-NH1 3.5Å; S196-V200 WeakPolarHBondContact O-CG2 3.48Å; S196-V200 PolarHBondContact O-N 3.1Å; S196-D212 WeakPolarHBondContact CB-OD1 3.4Å; S196-D212 VanDerWaalsContact CB-OD2 3.3Å; S196-D212 WeakPolarHBondContact CB-OD2 3.41Å; S196-D212 PolarHBondContact OG-OD2 2.82Å; S196-F214 WeakPolarHBondContact CA-O 3.19Å
197	G	90.6	Very high	93.4	Very high	20 Å²	20	42.7 Å²	42.7	21%	0.206	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-39.5	177.3	0	0	0	0	0	113.1	R199 V200 A201 A213	G197-R199 VanDerWaalsContact C-N 3.35Å; G197-R199 PolarHBondContact O-N 3.15Å; G197-V200 PolarHBondContact O-N 2.76Å; G197-A201 PolarHBondContact O-N 2.97Å; G197-A201 VanDerWaalsContact O-N 3.11Å; G197-A213 PolarHBondContact N-O 2.96Å
198	M	89.8	Confident	93	Very high	25 Å²	25	45 Å²	45	12%	0.123	24%	0.241	C	C	.	.	H	α-helix	trans	-64.4	-38.6	176	-76.1	-70.4	-62.8	0	0	112.3	F13 V200 A201 F202 T205 F211 D212	F13-M198 HydrophobicContact CE1-CE 4.33Å; F13-M198 HydrophobicContact CE1-SD 3.75Å; F13-M198 HydrophobicContact CZ-CE 4.27Å; F13-M198 HydrophobicContact CZ-SD 3.7Å; M198-V200 VanDerWaalsContact C-N 3.31Å; M198-V200 PolarHBondContact O-N 2.81Å; M198-A201 PolarHBondContact O-N 3.43Å; M198-F202 HydrophobicContact CE-CD2 3.56Å; M198-F202 HydrophobicContact CE-CE2 3.9Å; M198-F202 CarbonylContact O-C 3.57Å; M198-F202 WeakPolarHBondContact O-CA 3.48Å; M198-F202 WeakPolarHBondContact O-CB 3.46Å; M198-F202 PolarHBondContact O-N 2.87Å; M198-F202 HydrophobicContact SD-CD2 3.99Å; M198-F202 HydrophobicContact SD-CE2 3.99Å; M198-T205 HydrophobicContact CB-CG2 4.19Å; M198-F211 HydrophobicContact CE-CE2 4.1Å; M198-F211 HydrophobicContact SD-CD2 4.4Å; M198-F211 HydrophobicContact SD-CE2 4.08Å; M198-D212 HydrophobicContact CB-CB 4.43Å; M198-D212 WeakPolarHBondContact CB-OD1 3.28Å; M198-D212 HydrophobicContact CG-CB 3.91Å; M198-D212 WeakPolarHBondContact CG-OD1 3.19Å; M198-D212 PolarHBondContact N-OD1 2.91Å
199	R	93.7	Very high	92.4	Very high	31 Å²	31	50 Å²	50	12%	0.117	26%	0.261	C	S	.	.	H	α-helix	trans	-70	-28.8	178.2	-72.1	172	-176.7	87.5	-9.3	112.7	T195 S196 G197 F202 P203 T205 K206 K207 T208 D212	T195-R199 WeakPolarHBondContact OG1-CB 3.27Å; T195-R199 VanDerWaalsContact OG1-CD 3.27Å; T195-R199 WeakPolarHBondContact OG1-CD 3.18Å; S196-R199 PolarHBondContact O-N 3.16Å; S196-R199 VanDerWaalsContact OG-CB 3.29Å; S196-R199 WeakPolarHBondContact OG-CB 3.2Å; S196-R199 VanDerWaalsContact OG-CD 3.31Å; S196-R199 WeakPolarHBondContact OG-CD 3.36Å; S196-R199 WeakPolarHBondContact OG-CG 3.39Å; S196-R199 PolarHBondContact OG-N 2.76Å; S196-R199 PolarHBondContact OG-NH1 3.5Å; G197-R199 VanDerWaalsContact C-N 3.35Å; G197-R199 PolarHBondContact O-N 3.15Å; R199-F202 CarbonylContact O-C 3.57Å; R199-P203 VanDerWaalsContact O-CA 3.29Å; R199-P203 WeakPolarHBondContact O-CA 3.48Å; R199-T205 HydrophobicContact CG-CG2 4.16Å; R199-T205 WeakPolarHBondContact CG-O 3.41Å; R199-T205 PolarHBondContact NE-O 2.93Å; R199-K206 PolarHBondContact NH2-O 3.23Å; R199-K207 VanDerWaalsContact NH2-C 3.34Å; R199-T208 PolarHBondContact NH1-OG1 3.36Å; R199-T208 PolarHBondContact NH2-OG1 3.43Å; R199-D212 IonicContact NH1-OD2 3.74Å; R199-D212 PolarHBondContact NH1-OD2 2.96Å
200	V	89.6	Confident	91.6	Very high	52 Å²	52	56.4 Å²	56.4	32%	0.315	31%	0.305	S	S	.	.	H	α-helix	trans	-67.1	-47.4	170.6	175.3	0	0	0	0	110.5	L194 S196 G197 M198 I238	L194-V200 HydrophobicContact CB-CG2 3.77Å; L194-V200 HydrophobicContact CD1-CG2 4.03Å; S196-V200 WeakPolarHBondContact O-CG2 3.48Å; S196-V200 PolarHBondContact O-N 3.1Å; G197-V200 PolarHBondContact O-N 2.76Å; M198-V200 VanDerWaalsContact C-N 3.31Å; M198-V200 PolarHBondContact O-N 2.81Å; V200-I238 HydrophobicContact CB-CD1 4.32Å; V200-I238 HydrophobicContact CG1-CD1 3.74Å; V200-I238 HydrophobicContact CG2-CD1 3.51Å
201	A	86.9	Confident	90.9	Very high	65 Å²	65	61 Å²	61	54%	0.537	33%	0.325	S	S	.	.	H	α-helix	trans	-75.5	-30	-177.8	0	0	0	0	0	113.7	G197 M198	G197-A201 PolarHBondContact O-N 2.97Å; G197-A201 VanDerWaalsContact O-N 3.11Å; M198-A201 PolarHBondContact O-N 3.43Å
202	F	88.9	Confident	90.3	Very high	77 Å²	77	61.5 Å²	61.5	34%	0.338	33%	0.327	S	S	.	.			trans	-139.5	86.1	-176.6	-49.1	-77.1	0	0	0	109.4	L9 F13 M198 R199 D204 T205	L9-F202 HydrophobicContact CD2-CE1 3.62Å; L9-F202 HydrophobicContact CD2-CZ 3.36Å; F13-F202 HydrophobicContact CE2-CE2 4.25Å; F13-F202 HydrophobicContact CE2-CZ 4.28Å; F13-F202 HydrophobicContact CZ-CE2 4.07Å; M198-F202 HydrophobicContact CE-CD2 3.56Å; M198-F202 HydrophobicContact CE-CE2 3.9Å; M198-F202 CarbonylContact O-C 3.57Å; M198-F202 WeakPolarHBondContact O-CA 3.48Å; M198-F202 WeakPolarHBondContact O-CB 3.46Å; M198-F202 PolarHBondContact O-N 2.87Å; M198-F202 HydrophobicContact SD-CD2 3.99Å; M198-F202 HydrophobicContact SD-CE2 3.99Å; R199-F202 CarbonylContact O-C 3.57Å; F202-D204 PolarHBondContact O-N 3.02Å; F202-D204 VanDerWaalsContact O-N 3.07Å; F202-T205 WeakPolarHBondContact CB-OG1 3.45Å; F202-T205 VanDerWaalsContact O-CB 3.24Å; F202-T205 WeakPolarHBondContact O-CB 3.33Å; F202-T205 PolarHBondContact O-N 2.82Å; F202-T205 PolarHBondContact O-OG1 2.84Å
203	P	87.3	Confident	89.9	Confident	97 Å²	97	62.1 Å²	62.1	63%	0.63	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-31.2	-173.8	-30.6	37.3	0	0	0	115	R199 T205	R199-P203 VanDerWaalsContact O-CA 3.29Å; R199-P203 WeakPolarHBondContact O-CA 3.48Å; P203-T205 PolarHBondContact O-N 2.82Å; P203-T205 VanDerWaalsContact O-N 3.09Å
204	D	88.1	Confident	89.6	Confident	152 Å²	152	62.5 Å²	62.5	81%	0.813	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	3.7	178.5	-65.3	-47.3	0	0	0	114.6	F202 K206	F202-D204 PolarHBondContact O-N 3.02Å; F202-D204 VanDerWaalsContact O-N 3.07Å; D204-K206 PolarHBondContact O-N 2.97Å
205	T	88.4	Confident	89.5	Confident	18 Å²	18	63 Å²	63	11%	0.11	34%	0.338	C	S	.	.			trans	-69.3	103.9	-179.2	-62.9	0	0	0	0	111.9	M198 R199 F202 P203 K207 Y209	M198-T205 HydrophobicContact CB-CG2 4.19Å; R199-T205 HydrophobicContact CG-CG2 4.16Å; R199-T205 WeakPolarHBondContact CG-O 3.41Å; R199-T205 PolarHBondContact NE-O 2.93Å; F202-T205 WeakPolarHBondContact CB-OG1 3.45Å; F202-T205 VanDerWaalsContact O-CB 3.24Å; F202-T205 WeakPolarHBondContact O-CB 3.33Å; F202-T205 PolarHBondContact O-N 2.82Å; F202-T205 PolarHBondContact O-OG1 2.84Å; P203-T205 PolarHBondContact O-N 2.82Å; P203-T205 VanDerWaalsContact O-N 3.09Å; T205-K207 VanDerWaalsContact CG2-O 3.25Å; T205-K207 WeakPolarHBondContact CG2-O 3.42Å; T205-Y209 HydrophobicContact CG2-CD2 4.34Å; T205-Y209 HydrophobicContact CG2-CE2 4.01Å
206	K	88.2	Confident	89.5	Confident	190 Å²	190	62.8 Å²	62.8	83%	0.826	34%	0.337	S	S	*	.			trans	-85	-24.3	-178.1	-61.4	-174.9	-178.7	-178.4	0	114.9	R199 D204	R199-K206 PolarHBondContact NH2-O 3.23Å; D204-K206 PolarHBondContact O-N 2.97Å
207	K	88.9	Confident	89.6	Confident	150 Å²	150	63.7 Å²	63.7	65%	0.652	34%	0.341	S	S	*	.	S	Bend	trans	-117.8	147	-174.9	-64.4	-176.6	-178.7	179.2	0	110.6	R199 T205	R199-K207 VanDerWaalsContact NH2-C 3.34Å; T205-K207 VanDerWaalsContact CG2-O 3.25Å; T205-K207 WeakPolarHBondContact CG2-O 3.42Å
208	T	90.7	Very high	89.9	Confident	47 Å²	47	66.6 Å²	66.6	29%	0.288	35%	0.352	S	S	.	.			trans	-82.4	122.7	169.8	-48.5	0	0	0	0	109.1	R199 D212 P215 D218	R199-T208 PolarHBondContact NH1-OG1 3.36Å; R199-T208 PolarHBondContact NH2-OG1 3.43Å; T208-D212 HydrophobicContact CG2-CB 3.98Å; T208-P215 HydrophobicContact CG2-CB 3.73Å; T208-D218 VanDerWaalsContact CG2-OD2 3.25Å; T208-D218 WeakPolarHBondContact CG2-OD2 3.39Å; T208-D218 PolarHBondContact OG1-OD1 3.27Å
209	Y	84.6	Confident	90.3	Very high	107 Å²	107	67 Å²	67	42%	0.42	35%	0.353	S	S	.	.			trans	-96	158.7	178.3	-63.1	-77.9	0	0	0	110.8	T205 F211 D212	T205-Y209 HydrophobicContact CG2-CD2 4.34Å; T205-Y209 HydrophobicContact CG2-CE2 4.01Å; Y209-F211 HydrophobicContact CD1-CE1 4.5Å; Y209-F211 HydrophobicContact CD1-CZ 4.27Å; Y209-F211 HydrophobicContact CD2-CE2 4.43Å; Y209-F211 HydrophobicContact CD2-CZ 4.27Å; Y209-F211 HydrophobicContact CG-CE1 4.26Å; Y209-F211 HydrophobicContact CG-CE2 4.25Å; Y209-F211 AromaticContact CG-CZ 3.8Å; Y209-F211 HydrophobicContact CG-CZ 3.8Å; Y209-F211 PolarHBondContact O-N 3.2Å; Y209-F211 VanDerWaalsContact O-N 3.09Å; Y209-D212 WeakPolarHBondContact O-CB 3.39Å; Y209-D212 PolarHBondContact O-N 3.46Å
210	C	83.9	Confident	90.5	Very high	137 Å²	137	65.5 Å²	65.5	93%	0.926	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-15.7	-178.2	61.6	0	0	0	0	114.5
211	F	83.7	Confident	90.9	Very high	96 Å²	96	65.8 Å²	65.8	42%	0.421	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	5.4	175.5	54	-100.4	0	0	0	112.7	F13 M198 Y209 A213	F13-F211 AromaticContact CD1-CD2 3.94Å; F13-F211 HydrophobicContact CD1-CD2 3.94Å; F13-F211 AromaticContact CD1-CE2 3.74Å; F13-F211 HydrophobicContact CD1-CE2 3.74Å; F13-F211 HydrophobicContact CD1-CZ 4.33Å; F13-F211 AromaticContact CE1-CD2 3.71Å; F13-F211 HydrophobicContact CE1-CD2 3.71Å; F13-F211 AromaticContact CE1-CE2 3.57Å; F13-F211 HydrophobicContact CE1-CE2 3.57Å; M198-F211 HydrophobicContact CE-CE2 4.1Å; M198-F211 HydrophobicContact SD-CD2 4.4Å; M198-F211 HydrophobicContact SD-CE2 4.08Å; Y209-F211 HydrophobicContact CD1-CE1 4.5Å; Y209-F211 HydrophobicContact CD1-CZ 4.27Å; Y209-F211 HydrophobicContact CD2-CE2 4.43Å; Y209-F211 HydrophobicContact CD2-CZ 4.27Å; Y209-F211 HydrophobicContact CG-CE1 4.26Å; Y209-F211 HydrophobicContact CG-CE2 4.25Å; Y209-F211 AromaticContact CG-CZ 3.8Å; Y209-F211 HydrophobicContact CG-CZ 3.8Å; Y209-F211 PolarHBondContact O-N 3.2Å; Y209-F211 VanDerWaalsContact O-N 3.09Å; F211-A213 PolarHBondContact O-N 2.48Å
212	D	86.5	Confident	91.4	Very high	11 Å²	11	68.7 Å²	68.7	6%	0.059	35%	0.352	C	S	.	.			trans	-70.5	122.8	175.5	-165	-1	0	0	0	109.5	S196 M198 R199 T208 Y209	S196-D212 WeakPolarHBondContact CB-OD1 3.4Å; S196-D212 VanDerWaalsContact CB-OD2 3.3Å; S196-D212 WeakPolarHBondContact CB-OD2 3.41Å; S196-D212 PolarHBondContact OG-OD2 2.82Å; M198-D212 HydrophobicContact CB-CB 4.43Å; M198-D212 WeakPolarHBondContact CB-OD1 3.28Å; M198-D212 HydrophobicContact CG-CB 3.91Å; M198-D212 WeakPolarHBondContact CG-OD1 3.19Å; M198-D212 PolarHBondContact N-OD1 2.91Å; R199-D212 IonicContact NH1-OD2 3.74Å; R199-D212 PolarHBondContact NH1-OD2 2.96Å; T208-D212 HydrophobicContact CG2-CB 3.98Å; Y209-D212 WeakPolarHBondContact O-CB 3.39Å; Y209-D212 PolarHBondContact O-N 3.46Å
213	A	89.7	Confident	91.9	Very high	13 Å²	13	65 Å²	65	11%	0.107	34%	0.336	C	S	.	.	S	Bend	trans	-81.8	145.8	178.7	0	0	0	0	0	109.6	T23 G197 F211	T23-A213 HydrophobicContact CG2-CB 4.09Å; G197-A213 PolarHBondContact N-O 2.96Å; F211-A213 PolarHBondContact O-N 2.48Å
214	F	92.6	Very high	92.4	Very high	9 Å²	9	63.1 Å²	63.1	4%	0.039	32%	0.323	C	S	.	.			trans	59	45.8	170	-40.9	-49.7	0	0	0	115.6	A27 F28 E139 L142 I171 V174 L194 S196 N216	A27-F214 HydrophobicContact CB-CE2 3.9Å; A27-F214 HydrophobicContact CB-CZ 4.23Å; F28-F214 HydrophobicContact CE1-CZ 4.45Å; F28-F214 HydrophobicContact CE2-CE1 4.34Å; F28-F214 AromaticContact CE2-CZ 3.79Å; F28-F214 HydrophobicContact CE2-CZ 3.79Å; F28-F214 AromaticContact CZ-CE1 3.86Å; F28-F214 HydrophobicContact CZ-CE1 3.86Å; F28-F214 AromaticContact CZ-CZ 3.56Å; F28-F214 HydrophobicContact CZ-CZ 3.56Å; E139-F214 HydrophobicContact CB-CD1 3.95Å; E139-F214 HydrophobicContact CB-CE1 3.53Å; E139-F214 HydrophobicContact CG-CD1 3.65Å; E139-F214 HydrophobicContact CG-CE1 3.79Å; E139-F214 VanDerWaalsContact OE1-CA 3.22Å; E139-F214 WeakPolarHBondContact OE1-CA 3.33Å; E139-F214 PolarHBondContact OE1-N 3.4Å; L142-F214 HydrophobicContact CD2-CE1 4.38Å; I171-F214 HydrophobicContact CD1-CE2 4.44Å; I171-F214 HydrophobicContact CD1-CZ 4.41Å; V174-F214 HydrophobicContact CB-CB 4.32Å; V174-F214 HydrophobicContact CB-CD1 4.46Å; V174-F214 HydrophobicContact CG1-CB 3.7Å; V174-F214 HydrophobicContact CG1-CD1 3.58Å; V174-F214 HydrophobicContact CG1-CE1 4.49Å; V174-F214 HydrophobicContact CG1-CG 3.94Å; V174-F214 HydrophobicContact CG2-CB 3.62Å; V174-F214 HydrophobicContact CG2-CD1 4.32Å; V174-F214 HydrophobicContact CG2-CG 3.96Å; L194-F214 HydrophobicContact CD1-CB 4.44Å; L194-F214 HydrophobicContact CD1-CD2 4.31Å; S196-F214 WeakPolarHBondContact CA-O 3.19Å; F214-N216 PolarHBondContact O-N 3Å
215	P	94.6	Very high	92.9	Very high	22 Å²	22	55.9 Å²	55.9	14%	0.143	28%	0.284	C	S	.	.			trans	-73.7	70	-173.8	33.5	-37.9	0	0	0	112.5	T195 T208 I217 D218	T195-P215 CarbonylContact O-C 3.58Å; T208-P215 HydrophobicContact CG2-CB 3.73Å; P215-I217 PolarHBondContact O-N 2.76Å; P215-D218 HydrophobicContact CB-CB 4.41Å; P215-D218 PolarHBondContact O-N 2.78Å; P215-D218 VanDerWaalsContact O-N 3.12Å
216	N	97.6	Very high	93.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-57.1	-33.6	175.1	-77.4	-19.7	0	0	0	111.9	V174 V177 L194 T195 F214 D218 K219 I220 L246	V174-N216 WeakPolarHBondContact CA-OD1 3.28Å; V177-N216 HydrophobicContact CG1-CB 4.38Å; L194-N216 WeakPolarHBondContact O-CB 3.1Å; L194-N216 PolarHBondContact O-ND2 3.19Å; T195-N216 PolarHBondContact O-N 3.05Å; F214-N216 PolarHBondContact O-N 3Å; N216-D218 PolarHBondContact O-N 3.3Å; N216-K219 PolarHBondContact O-N 3.18Å; N216-I220 PolarHBondContact O-N 2.98Å; N216-L246 HydrophobicContact CB-CD2 4.21Å
217	I	97.2	Very high	93.9	Very high	19 Å²	19	46.4 Å²	46.4	10%	0.097	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-57.3	-30.1	177.9	-162.5	69.6	0	0	0	113.1	T195 P215 A245 L246	T195-I217 HydrophobicContact CG2-CD1 4.02Å; T195-I217 PolarHBondContact O-N 3.23Å; P215-I217 PolarHBondContact O-N 2.76Å; I217-A245 HydrophobicContact CD1-CB 4.43Å; I217-L246 HydrophobicContact CD1-CD2 4.04Å
218	D	96.6	Very high	94.3	Very high	81 Å²	81	39.2 Å²	39.2	43%	0.433	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-86.2	-10.7	178.9	-65.9	-3.6	0	0	0	112.6	T208 P215 N216	T208-D218 VanDerWaalsContact CG2-OD2 3.25Å; T208-D218 WeakPolarHBondContact CG2-OD2 3.39Å; T208-D218 PolarHBondContact OG1-OD1 3.27Å; P215-D218 HydrophobicContact CB-CB 4.41Å; P215-D218 PolarHBondContact O-N 2.78Å; P215-D218 VanDerWaalsContact O-N 3.12Å; N216-D218 PolarHBondContact O-N 3.3Å
219	K	98	Very high	94.7	Very high	32 Å²	32	37 Å²	37	14%	0.139	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-31.5	-173.4	-60.9	-177.6	-171.1	-173	0	113.2	Y143 V177 D178 A181 N216 S221 K222	Y143-K219 PolarHBondContact OH-NZ 3.19Å; V177-K219 HydrophobicContact CG1-CB 3.76Å; D178-K219 HydrophobicContact CB-CD 4.32Å; D178-K219 IonicContact OD1-NZ 2.74Å; D178-K219 PolarHBondContact OD1-NZ 3.2Å; A181-K219 HydrophobicContact CB-CB 4.45Å; N216-K219 PolarHBondContact O-N 3.18Å; K219-S221 PolarHBondContact O-N 3.15Å; K219-K222 WeakPolarHBondContact O-CB 3.48Å; K219-K222 PolarHBondContact O-N 3.35Å
220	I	98.4	Very high	95.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-58.5	-33.8	-171.6	-169.2	59.8	0	0	0	113.2	V177 L190 N216 K222 V223 L246 R249	V177-I220 HydrophobicContact CG1-CB 4.42Å; V177-I220 HydrophobicContact CG1-CD1 4.31Å; V177-I220 HydrophobicContact CG2-CD1 4.18Å; L190-I220 HydrophobicContact CD1-CD1 3.86Å; N216-I220 PolarHBondContact O-N 2.98Å; I220-K222 PolarHBondContact O-N 3.43Å; I220-K222 VanDerWaalsContact O-N 3.1Å; I220-V223 HydrophobicContact CD1-CG2 4.12Å; I220-V223 WeakPolarHBondContact O-CB 3.38Å; I220-V223 PolarHBondContact O-N 3.33Å; I220-V223 VanDerWaalsContact O-N 3.07Å; I220-L246 HydrophobicContact CB-CD2 3.94Å; I220-L246 HydrophobicContact CG1-CB 4.46Å; I220-L246 HydrophobicContact CG1-CD2 4.25Å; I220-L246 HydrophobicContact CG2-CD2 3.78Å; I220-R249 HydrophobicContact CG2-CB 3.7Å
221	S	97.7	Very high	96.1	Very high	58 Å²	58	25.4 Å²	25.4	41%	0.406	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-69.5	-4.6	177.3	61.8	0	0	0	0	113.9	K219 Q251	K219-S221 PolarHBondContact O-N 3.15Å; S221-Q251 VanDerWaalsContact O-CD 3.31Å; S221-Q251 VanDerWaalsContact O-CG 3.32Å; S221-Q251 WeakPolarHBondContact O-CG 3.45Å; S221-Q251 PolarHBondContact O-NE2 3.44Å
222	K	98.4	Very high	96.8	Very high	126 Å²	126	20.8 Å²	20.8	55%	0.548	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-98.1	-9.3	173.6	-57.5	176.1	-174.4	172.7	0	112.6	A181 K219 I220 T224	A181-K222 HydrophobicContact CB-CB 3.89Å; K219-K222 WeakPolarHBondContact O-CB 3.48Å; K219-K222 PolarHBondContact O-N 3.35Å; I220-K222 PolarHBondContact O-N 3.43Å; I220-K222 VanDerWaalsContact O-N 3.1Å; K222-T224 PolarHBondContact O-N 2.73Å
223	V	98.7	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.			trans	-75.6	113.9	178.5	180	0	0	0	0	108.9	V177 A180 A181 V188 I220 V227	V177-V223 HydrophobicContact CG1-CG2 4.43Å; A180-V223 HydrophobicContact CB-CG1 3.98Å; A180-V223 HydrophobicContact CB-CG2 4.05Å; A181-V223 HydrophobicContact CB-CG2 4.33Å; V188-V223 HydrophobicContact CG2-CG1 3.84Å; I220-V223 HydrophobicContact CD1-CG2 4.12Å; I220-V223 WeakPolarHBondContact O-CB 3.38Å; I220-V223 PolarHBondContact O-N 3.33Å; I220-V223 VanDerWaalsContact O-N 3.07Å; V223-V227 HydrophobicContact CB-CG2 4.47Å; V223-V227 HydrophobicContact CG1-CG2 3.73Å
224	T	97.8	Very high	97.8	Very high	57 Å²	57	27.1 Å²	27.1	35%	0.35	14%	0.143	S	C	.	.			trans	-95.8	-9.3	-179.7	58.3	0	0	0	0	113.4	K222 R252	K222-T224 PolarHBondContact O-N 2.73Å; T224-R252 WeakPolarHBondContact O-CD 3.27Å; T224-R252 PolarHBondContact O-NH1 3.31Å
225	S	98.3	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-75.6	153.6	173.6	-52.5	0	0	0	0	110.4	S185 V227	S185-S225 PolarHBondContact N-OG 3.19Å; S185-S225 PolarHBondContact O-OG 3.41Å; S185-S225 PolarHBondContact OG-OG 2.68Å; S225-V227 WeakPolarHBondContact O-CG2 3.31Å; S225-V227 PolarHBondContact O-N 3.35Å
226	P	98.4	Very high	97.8	Very high	8 Å²	8	34.3 Å²	34.3	5%	0.052	18%	0.175	C	C	.	.			trans	-55.2	134.5	169.6	-22.8	33.1	0	0	0	111.3	A187 V188 R252 V254 L288	A187-P226 CarbonylContact C-O 3.59Å; A187-P226 WeakPolarHBondContact CA-O 3.47Å; A187-P226 HydrophobicContact CB-CB 4.48Å; V188-P226 PolarHBondContact N-O 3.35Å; P226-R252 WeakPolarHBondContact CA-O 3.35Å; P226-V254 HydrophobicContact CB-CG1 4.08Å; P226-L288 HydrophobicContact CB-CD1 4.07Å; P226-L288 HydrophobicContact CG-CD1 3.72Å
227	V	98.8	Very high	97.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.7	-177	-171.2	0	0	0	0	111.1	V188 L190 V223 S225 V229 C250 R252 V254	V188-V227 HydrophobicContact CB-CG1 4.37Å; V188-V227 HydrophobicContact CB-CG2 4.28Å; V188-V227 WeakPolarHBondContact O-CA 3.44Å; L190-V227 HydrophobicContact CD1-CG1 3.98Å; L190-V227 HydrophobicContact CG-CG1 4.09Å; V223-V227 HydrophobicContact CB-CG2 4.47Å; V223-V227 HydrophobicContact CG1-CG2 3.73Å; S225-V227 WeakPolarHBondContact O-CG2 3.31Å; S225-V227 PolarHBondContact O-N 3.35Å; V227-V229 HydrophobicContact CG1-CG2 4.24Å; V227-C250 HydrophobicContact CB-CB 4.38Å; V227-C250 HydrophobicContact CG2-CB 4.43Å; V227-R252 PolarHBondContact N-O 3.3Å; V227-V254 WeakPolarHBondContact O-CG2 3.38Å; V227-V254 PolarHBondContact O-N 3.02Å
228	L	98.9	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.3	167.6	171.9	59.7	0	0	0	109.2	V188 V189 L190 I230 V254 E255 R276 L277 F280	V188-L228 PolarHBondContact O-N 2.95Å; V189-L228 CarbonylContact C-O 3.56Å; V189-L228 WeakPolarHBondContact CA-O 3.35Å; V189-L228 HydrophobicContact CG1-CD2 4.42Å; V189-L228 HydrophobicContact CG1-CG 4.49Å; V189-L228 HydrophobicContact CG2-CB 4.34Å; V189-L228 HydrophobicContact CG2-CD2 4.39Å; L190-L228 PolarHBondContact N-O 2.9Å; L228-I230 HydrophobicContact CD1-CG1 4.38Å; L228-I230 HydrophobicContact CD2-CD1 4.11Å; L228-I230 HydrophobicContact CD2-CG1 4.24Å; L228-I230 HydrophobicContact CG-CD1 4.4Å; L228-I230 HydrophobicContact CG-CG1 4.01Å; L228-V254 HydrophobicContact CB-CG2 3.69Å; L228-V254 HydrophobicContact CD1-CG2 4.14Å; L228-V254 HydrophobicContact CG-CG2 4.49Å; L228-E255 WeakPolarHBondContact CD1-O 3.34Å; L228-R276 HydrophobicContact CD1-CG 4.2Å; L228-R276 HydrophobicContact CD2-CG 4.18Å; L228-L277 HydrophobicContact CD2-CD2 4Å; L228-F280 HydrophobicContact CB-CD1 4.19Å; L228-F280 HydrophobicContact CB-CE1 3.91Å; L228-F280 HydrophobicContact CB-CE2 4.35Å; L228-F280 HydrophobicContact CB-CZ 3.97Å; L228-F280 HydrophobicContact CD2-CB 4.04Å; L228-F280 HydrophobicContact CD2-CD1 3.72Å; L228-F280 HydrophobicContact CD2-CE1 4.27Å; L228-F280 HydrophobicContact CD2-CG 3.88Å
229	V	98.9	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.1	170.9	-170.9	0	0	0	0	109.3	L190 P193 V227 Y247 P256 L257 W258	L190-V229 HydrophobicContact CB-CG2 4.45Å; L190-V229 WeakPolarHBondContact O-CA 3.22Å; P193-V229 HydrophobicContact CG-CG1 4Å; V227-V229 HydrophobicContact CG1-CG2 4.24Å; V229-Y247 HydrophobicContact CB-CD2 4.5Å; V229-Y247 HydrophobicContact CG2-CD2 4.19Å; V229-P256 CarbonylContact O-C 3.57Å; V229-P256 WeakPolarHBondContact O-CA 3.45Å; V229-L257 PolarHBondContact O-N 2.59Å; V229-W258 HydrophobicContact CB-CH2 3.94Å; V229-W258 HydrophobicContact CB-CZ3 4.11Å; V229-W258 HydrophobicContact CG1-CH2 3.8Å; V229-W258 HydrophobicContact CG1-CZ3 3.68Å
230	I	98.9	Very high	97.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.8	175.9	-54.2	178.5	0	0	0	107.7	V189 L190 H191 S192 L228 L257 V267 Y273 L277	V189-I230 HydrophobicContact CG1-CD1 3.98Å; V189-I230 HydrophobicContact CG1-CG1 4.43Å; L190-I230 PolarHBondContact O-N 3.05Å; H191-I230 CarbonylContact C-O 3.52Å; H191-I230 WeakPolarHBondContact CA-O 3.16Å; S192-I230 PolarHBondContact N-O 3.03Å; L228-I230 HydrophobicContact CD1-CG1 4.38Å; L228-I230 HydrophobicContact CD2-CD1 4.11Å; L228-I230 HydrophobicContact CD2-CG1 4.24Å; L228-I230 HydrophobicContact CG-CD1 4.4Å; L228-I230 HydrophobicContact CG-CG1 4.01Å; I230-L257 CarbonylContact C-O 3.55Å; I230-L257 VanDerWaalsContact CA-O 3.3Å; I230-L257 WeakPolarHBondContact CA-O 3.48Å; I230-L257 HydrophobicContact CB-CB 4.49Å; I230-L257 HydrophobicContact CG1-CB 4.18Å; I230-L257 HydrophobicContact CG2-CB 4.23Å; I230-L257 HydrophobicContact CG2-CD2 3.93Å; I230-L257 HydrophobicContact CG2-CG 4.31Å; I230-V267 HydrophobicContact CG2-CG1 3.78Å; I230-Y273 HydrophobicContact CD1-CD2 4.19Å; I230-Y273 HydrophobicContact CD1-CE2 4.06Å; I230-Y273 HydrophobicContact CG2-CD2 4.18Å; I230-L277 HydrophobicContact CD1-CD2 3.88Å; I230-L277 HydrophobicContact CD1-CG 4.13Å
231	H	98.8	Very high	97.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	140.8	-179.1	-145.2	126.7	0	0	0	110.9	D235 I238 F240 G243 L257 W258 V259	H231-D235 IonicContact CD2-OD2 2.73Å; H231-D235 IonicContact NE2-OD2 3.66Å; H231-D235 PolarHBondContact NE2-OD2 3.01Å; H231-D235 VanDerWaalsContact NE2-OD2 3.11Å; H231-I238 PolarHBondContact CE1-O 2.79Å; H231-I238 PolarHBondContact NE2-O 2.81Å; H231-F240 HydrophobicContact CB-CD2 4.17Å; H231-F240 HydrophobicContact CB-CE2 4.49Å; H231-G243 WeakPolarHBondContact ND1-CA 3.11Å; H231-G243 PolarHBondContact ND1-N 2.94Å; H231-L257 PolarHBondContact N-O 3.15Å; H231-W258 HydrophobicContact CB-CE3 3.86Å; H231-W258 HydrophobicContact CB-CZ3 3.82Å; H231-W258 CarbonylContact O-C 3.57Å; H231-W258 WeakPolarHBondContact O-CA 3.24Å; H231-V259 PolarHBondContact O-N 3.39Å
232	G	98.6	Very high	97.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	143.3	168.3	0	0	0	0	0	112.4	E234 V259 A262	G232-E234 VanDerWaalsContact C-N 3.31Å; G232-V259 WeakPolarHBondContact CA-O 3.47Å; G232-A262 CarbonylContact C-O 3.57Å; G232-A262 VanDerWaalsContact C-O 3.28Å; G232-A262 WeakPolarHBondContact CA-O 3.47Å
233	T	98.4	Very high	97.3	Very high	38 Å²	38	33.1 Å²	33.1	23%	0.233	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-18.1	-179.4	60.4	0	0	0	0	113.4	F240 W258 V259 E260 G261 A262	T233-F240 HydrophobicContact CG2-CD2 4.44Å; T233-F240 HydrophobicContact CG2-CE2 4.36Å; T233-W258 HydrophobicContact CG2-CB 4.29Å; T233-V259 PolarHBondContact N-O 3.41Å; T233-E260 WeakPolarHBondContact OG1-CA 3.43Å; T233-E260 PolarHBondContact OG1-OE1 3.44Å; T233-G261 PolarHBondContact OG1-N 3.12Å; T233-A262 PolarHBondContact N-O 3.12Å
234	E	97.8	Very high	97.3	Very high	119 Å²	119	35.9 Å²	35.9	56%	0.556	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.5	33.1	178.8	-62.1	-172.9	-174.5	0	0	111.3	G232 E236 A262 G263	G232-E234 VanDerWaalsContact C-N 3.31Å; E234-E236 PolarHBondContact O-N 3.45Å; E234-A262 CarbonylContact C-O 3.53Å; E234-A262 PolarHBondContact N-O 2.92Å; E234-G263 WeakPolarHBondContact O-CA 3.4Å
235	D	97.1	Very high	97.4	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.027	18%	0.182	C	C	.	.			trans	-72.7	97.1	178.9	-170.2	-23	0	0	0	112.1	H231 V237 I238 D239 H264	H231-D235 IonicContact CD2-OD2 2.73Å; H231-D235 IonicContact NE2-OD2 3.66Å; H231-D235 PolarHBondContact NE2-OD2 3.01Å; H231-D235 VanDerWaalsContact NE2-OD2 3.11Å; D235-V237 VanDerWaalsContact C-N 3.29Å; D235-V237 PolarHBondContact O-N 3.46Å; D235-V237 PolarHBondContact OD1-N 3.35Å; D235-I238 VanDerWaalsContact CB-O 3.31Å; D235-I238 WeakPolarHBondContact CB-O 3.36Å; D235-I238 CarbonylContact O-C 3.58Å; D235-I238 PolarHBondContact OD1-N 2.62Å; D235-D239 WeakPolarHBondContact O-CA 3.23Å; D235-H264 VanDerWaalsContact CG-ND1 3.29Å; D235-H264 WeakPolarHBondContact OD1-CB 3.26Å; D235-H264 IonicContact OD1-CG 3.74Å; D235-H264 IonicContact OD1-ND1 3.11Å; D235-H264 PolarHBondContact OD1-ND1 3.43Å; D235-H264 VanDerWaalsContact OD1-ND1 3.08Å; D235-H264 IonicContact OD2-CE1 2.82Å; D235-H264 IonicContact OD2-CG 2.92Å; D235-H264 IonicContact OD2-ND1 3.62Å; D235-H264 PolarHBondContact OD2-ND1 3.39Å
236	E	90.6	Very high	97.4	Very high	176 Å²	176	34.2 Å²	34.2	82%	0.822	18%	0.182	S	C	*	.	S	Bend	trans	-77.4	-5.9	179	-64.3	-64.5	150.7	0	0	114.6	E234	E234-E236 PolarHBondContact O-N 3.45Å
237	V	91.2	Very high	97.4	Very high	79 Å²	79	36.4 Å²	36.4	48%	0.479	19%	0.19	S	C	.	.	S	Bend	trans	-98.6	-47.7	179.5	-178.4	0	0	0	0	110.2	D235 H264	D235-V237 VanDerWaalsContact C-N 3.29Å; D235-V237 PolarHBondContact O-N 3.46Å; D235-V237 PolarHBondContact OD1-N 3.35Å; V237-H264 HydrophobicContact CB-CB 3.76Å; V237-H264 HydrophobicContact CG2-CB 3.62Å
238	I	93.7	Very high	97.4	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.056	22%	0.22	C	C	.	.	S	Bend	trans	-128.5	97.5	176	-52.1	-64.4	0	0	0	106.8	P193 L194 V200 H231 D235 F240 H242 H264	P193-I238 VanDerWaalsContact O-CG2 3.28Å; P193-I238 WeakPolarHBondContact O-CG2 3.41Å; L194-I238 HydrophobicContact CB-CD1 4.26Å; L194-I238 HydrophobicContact CB-CG2 4.03Å; V200-I238 HydrophobicContact CB-CD1 4.32Å; V200-I238 HydrophobicContact CG1-CD1 3.74Å; V200-I238 HydrophobicContact CG2-CD1 3.51Å; H231-I238 PolarHBondContact CE1-O 2.79Å; H231-I238 PolarHBondContact NE2-O 2.81Å; D235-I238 VanDerWaalsContact CB-O 3.31Å; D235-I238 WeakPolarHBondContact CB-O 3.36Å; D235-I238 CarbonylContact O-C 3.58Å; D235-I238 PolarHBondContact OD1-N 2.62Å; I238-F240 PolarHBondContact O-N 2.88Å; I238-H242 HydrophobicContact CG2-CB 3.84Å; I238-H264 VanDerWaalsContact CG1-CE1 3.41Å; I238-H264 WeakPolarHBondContact CG1-CE1 3.21Å
239	D	97.1	Very high	97.3	Very high	86 Å²	86	48.3 Å²	48.3	46%	0.46	24%	0.241	S	C	.	.			trans	-47.2	139.9	-176.5	178.3	-94.8	0	0	0	112.6	D235 S241 H242	D235-D239 WeakPolarHBondContact O-CA 3.23Å; D239-S241 PolarHBondContact O-N 3.11Å; D239-S241 WeakPolarHBondContact OD1-CA 3.35Å; D239-S241 WeakPolarHBondContact OD1-CB 3.42Å; D239-S241 PolarHBondContact OD1-N 2.95Å; D239-S241 PolarHBondContact OD1-OG 2.89Å; D239-H242 WeakPolarHBondContact O-CB 3.34Å; D239-H242 PolarHBondContact O-N 3.11Å
240	F	97.8	Very high	97.2	Very high	50 Å²	50	48.9 Å²	48.9	22%	0.219	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-31.7	-178.7	171.4	-106.2	0	0	0	113.6	H231 T233 I238 H242 G243 L244 W258	H231-F240 HydrophobicContact CB-CD2 4.17Å; H231-F240 HydrophobicContact CB-CE2 4.49Å; T233-F240 HydrophobicContact CG2-CD2 4.44Å; T233-F240 HydrophobicContact CG2-CE2 4.36Å; I238-F240 PolarHBondContact O-N 2.88Å; F240-H242 PolarHBondContact O-N 2.86Å; F240-G243 PolarHBondContact O-N 3.02Å; F240-G243 VanDerWaalsContact O-N 3.09Å; F240-L244 HydrophobicContact CE1-CB 4.4Å; F240-L244 HydrophobicContact CE1-CD2 4.38Å; F240-L244 PolarHBondContact O-N 3.42Å; F240-W258 HydrophobicContact CD2-CE3 4.48Å; F240-W258 HydrophobicContact CE2-CB 4.07Å; F240-W258 AromaticContact CE2-CD2 3.59Å; F240-W258 HydrophobicContact CE2-CD2 3.59Å; F240-W258 AromaticContact CE2-CE3 3.55Å; F240-W258 HydrophobicContact CE2-CE3 3.55Å; F240-W258 AromaticContact CE2-CG 3.83Å; F240-W258 HydrophobicContact CE2-CG 3.83Å; F240-W258 HydrophobicContact CE2-CZ3 4.17Å; F240-W258 HydrophobicContact CZ-CB 4.44Å; F240-W258 AromaticContact CZ-CD2 3.9Å; F240-W258 HydrophobicContact CZ-CD2 3.9Å; F240-W258 HydrophobicContact CZ-CE3 4.27Å; F240-W258 AromaticContact CZ-CG 3.97Å; F240-W258 HydrophobicContact CZ-CG 3.97Å
241	S	97.9	Very high	97.1	Very high	58 Å²	58	54.3 Å²	54.3	41%	0.406	27%	0.27	S	S	.	.	H	α-helix	trans	-57.7	-23.6	176.8	68.4	0	0	0	0	113.3	D239 A245	D239-S241 PolarHBondContact O-N 3.11Å; D239-S241 WeakPolarHBondContact OD1-CA 3.35Å; D239-S241 WeakPolarHBondContact OD1-CB 3.42Å; D239-S241 PolarHBondContact OD1-N 2.95Å; D239-S241 PolarHBondContact OD1-OG 2.89Å; S241-A245 WeakPolarHBondContact O-CB 3.42Å; S241-A245 PolarHBondContact O-N 2.93Å
242	H	98.4	Very high	97	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-68.3	-45.8	176.1	-75.7	-136.8	0	0	0	112.1	P193 L194 T195 I238 D239 F240 A245 L246	P193-H242 WeakPolarHBondContact O-CB 3.48Å; L194-H242 WeakPolarHBondContact CA-ND1 3.36Å; T195-H242 HydrophobicContact CG2-CB 3.98Å; T195-H242 PolarHBondContact N-ND1 3.19Å; T195-H242 VanDerWaalsContact N-ND1 3.13Å; T195-H242 PolarHBondContact OG1-CE1 2.77Å; T195-H242 VanDerWaalsContact OG1-CE1 3.23Å; T195-H242 PolarHBondContact OG1-ND1 3.24Å; I238-H242 HydrophobicContact CG2-CB 3.84Å; D239-H242 WeakPolarHBondContact O-CB 3.34Å; D239-H242 PolarHBondContact O-N 3.11Å; F240-H242 PolarHBondContact O-N 2.86Å; H242-A245 PolarHBondContact O-N 2.75Å; H242-L246 WeakPolarHBondContact O-CG 3.41Å; H242-L246 PolarHBondContact O-N 2.95Å; H242-L246 VanDerWaalsContact O-N 3.13Å
243	G	98.3	Very high	96.9	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-48.6	174.7	0	0	0	0	0	111.4	H231 F240 A245 L246 Y247	H231-G243 WeakPolarHBondContact ND1-CA 3.11Å; H231-G243 PolarHBondContact ND1-N 2.94Å; F240-G243 PolarHBondContact O-N 3.02Å; F240-G243 VanDerWaalsContact O-N 3.09Å; G243-A245 PolarHBondContact O-N 3.28Å; G243-L246 PolarHBondContact O-N 3.47Å; G243-Y247 WeakPolarHBondContact O-CB 2.9Å; G243-Y247 PolarHBondContact O-N 3.37Å
244	L	98.5	Very high	96.9	Very high	59 Å²	59	61 Å²	61	31%	0.309	30%	0.301	S	S	.	.	H	α-helix	trans	-59.2	-47.7	177.4	-176.5	61.7	0	0	0	111.9	F240 L246 Y247 E248 W258	F240-L244 HydrophobicContact CE1-CB 4.4Å; F240-L244 HydrophobicContact CE1-CD2 4.38Å; F240-L244 PolarHBondContact O-N 3.42Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 3.04Å; L244-Y247 WeakPolarHBondContact O-CB 3.49Å; L244-Y247 PolarHBondContact O-N 3.43Å; L244-E248 HydrophobicContact CD1-CG 4.31Å; L244-E248 WeakPolarHBondContact O-CG 3.28Å; L244-E248 PolarHBondContact O-N 3.29Å; L244-W258 HydrophobicContact CD1-CZ2 4.44Å
245	A	98.3	Very high	96.9	Very high	21 Å²	21	61.8 Å²	61.8	17%	0.174	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-33.9	-177.9	0	0	0	0	0	113.4	T195 I217 S241 H242 G243 R249	T195-A245 HydrophobicContact CG2-CB 3.95Å; I217-A245 HydrophobicContact CD1-CB 4.43Å; S241-A245 WeakPolarHBondContact O-CB 3.42Å; S241-A245 PolarHBondContact O-N 2.93Å; H242-A245 PolarHBondContact O-N 2.75Å; G243-A245 PolarHBondContact O-N 3.28Å; A245-R249 WeakPolarHBondContact O-CD 3.48Å; A245-R249 WeakPolarHBondContact O-CG 3.43Å; A245-R249 PolarHBondContact O-NH1 3.44Å
246	L	98.5	Very high	97	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-75.2	-42.3	174.8	-70.6	175.9	0	0	0	111.4	P193 T195 N216 I217 I220 H242 G243 L244 E248 R249 C250	P193-L246 HydrophobicContact CB-CD1 3.55Å; P193-L246 HydrophobicContact CG-CD1 3.8Å; T195-L246 HydrophobicContact CG2-CD2 4.31Å; T195-L246 HydrophobicContact CG2-CG 3.99Å; N216-L246 HydrophobicContact CB-CD2 4.21Å; I217-L246 HydrophobicContact CD1-CD2 4.04Å; I220-L246 HydrophobicContact CB-CD2 3.94Å; I220-L246 HydrophobicContact CG1-CB 4.46Å; I220-L246 HydrophobicContact CG1-CD2 4.25Å; I220-L246 HydrophobicContact CG2-CD2 3.78Å; H242-L246 WeakPolarHBondContact O-CG 3.41Å; H242-L246 PolarHBondContact O-N 2.95Å; H242-L246 VanDerWaalsContact O-N 3.13Å; G243-L246 PolarHBondContact O-N 3.47Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 3.04Å; L246-E248 PolarHBondContact O-N 3.42Å; L246-R249 PolarHBondContact O-N 2.94Å; L246-R249 VanDerWaalsContact O-N 3.12Å; L246-C250 PolarHBondContact O-N 3.48Å; L246-C250 VanDerWaalsContact O-N 3.13Å; L246-C250 PolarHBondContact O-SG 2.78Å
247	Y	98.6	Very high	97.4	Very high	54 Å²	54	54.7 Å²	54.7	21%	0.212	27%	0.272	C	S	.	.	H	α-helix	trans	-54.2	-50.2	175	173.7	-100.1	0	0	0	111.7	V229 G243 L244 R249 C250 P253 V254 P256 W258	V229-Y247 HydrophobicContact CB-CD2 4.5Å; V229-Y247 HydrophobicContact CG2-CD2 4.19Å; G243-Y247 WeakPolarHBondContact O-CB 2.9Å; G243-Y247 PolarHBondContact O-N 3.37Å; L244-Y247 WeakPolarHBondContact O-CB 3.49Å; L244-Y247 PolarHBondContact O-N 3.43Å; Y247-R249 PolarHBondContact O-N 3.03Å; Y247-R249 VanDerWaalsContact O-N 3.12Å; Y247-C250 WeakPolarHBondContact O-CB 3.35Å; Y247-C250 PolarHBondContact O-N 3.18Å; Y247-C250 VanDerWaalsContact O-N 3.15Å; Y247-P253 HydrophobicContact CD2-CB 3.79Å; Y247-P253 HydrophobicContact CE2-CB 3.38Å; Y247-P253 HydrophobicContact CE2-CG 4.42Å; Y247-V254 WeakPolarHBondContact CE2-O 3.45Å; Y247-P256 HydrophobicContact CD2-CB 3.94Å; Y247-P256 HydrophobicContact CD2-CG 4.13Å; Y247-P256 HydrophobicContact CE1-CG 4.32Å; Y247-P256 HydrophobicContact CE2-CB 3.9Å; Y247-P256 HydrophobicContact CE2-CG 3.71Å; Y247-W258 HydrophobicContact CD1-CZ2 4.28Å; Y247-W258 HydrophobicContact CG-CH2 4.27Å; Y247-W258 HydrophobicContact CG-CZ2 4.11Å
248	E	98.3	Very high	97.7	Very high	133 Å²	133	54.3 Å²	54.3	62%	0.621	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.2	179.5	-71.4	177.2	159.3	0	0	114.2	L244 L246	L244-E248 HydrophobicContact CD1-CG 4.31Å; L244-E248 WeakPolarHBondContact O-CG 3.28Å; L244-E248 PolarHBondContact O-N 3.29Å; L246-E248 PolarHBondContact O-N 3.42Å
249	R	98	Very high	97.9	Very high	117 Å²	117	53.8 Å²	53.8	44%	0.442	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-2.9	-179.2	-72.3	172.9	179.1	75.1	1.1	113.6	I220 A245 L246 Y247	I220-R249 HydrophobicContact CG2-CB 3.7Å; A245-R249 WeakPolarHBondContact O-CD 3.48Å; A245-R249 WeakPolarHBondContact O-CG 3.43Å; A245-R249 PolarHBondContact O-NH1 3.44Å; L246-R249 PolarHBondContact O-N 2.94Å; L246-R249 VanDerWaalsContact O-N 3.12Å; Y247-R249 PolarHBondContact O-N 3.03Å; Y247-R249 VanDerWaalsContact O-N 3.12Å
250	C	96.3	Very high	98	Very high	13 Å²	13	56.3 Å²	56.3	9%	0.088	27%	0.269	C	S	.	.			trans	-64.9	142	174.5	-70.9	0	0	0	0	110	V227 L246 Y247 P253	V227-C250 HydrophobicContact CB-CB 4.38Å; V227-C250 HydrophobicContact CG2-CB 4.43Å; L246-C250 PolarHBondContact O-N 3.48Å; L246-C250 VanDerWaalsContact O-N 3.13Å; L246-C250 PolarHBondContact O-SG 2.78Å; Y247-C250 WeakPolarHBondContact O-CB 3.35Å; Y247-C250 PolarHBondContact O-N 3.18Å; Y247-C250 VanDerWaalsContact O-N 3.15Å; C250-P253 HydrophobicContact CB-CB 3.99Å; C250-P253 HydrophobicContact CB-CG 4.28Å; C250-P253 WeakPolarHBondContact O-CD 3.35Å
251	Q	96.4	Very high	98	Very high	114 Å²	114	55 Å²	55	53%	0.533	27%	0.27	S	S	.	.	S	Bend	trans	-72.4	-35.2	171.8	-64.4	-166.5	-4.7	0	0	112	S221	S221-Q251 VanDerWaalsContact O-CD 3.31Å; S221-Q251 VanDerWaalsContact O-CG 3.32Å; S221-Q251 WeakPolarHBondContact O-CG 3.45Å; S221-Q251 PolarHBondContact O-NE2 3.44Å
252	R	96.7	Very high	98	Very high	101 Å²	101	52.3 Å²	52.3	38%	0.381	25%	0.251	S	S	.	.	S	Bend	trans	-133.7	64.4	-177.8	-67.1	176.7	69.2	-166	5.1	111	T224 P226 V227	T224-R252 WeakPolarHBondContact O-CD 3.27Å; T224-R252 PolarHBondContact O-NH1 3.31Å; P226-R252 WeakPolarHBondContact CA-O 3.35Å; V227-R252 PolarHBondContact N-O 3.3Å
253	P	97.5	Very high	97.8	Very high	55 Å²	55	52.5 Å²	52.5	36%	0.357	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-63.6	139.9	171.6	27.5	-30.9	0	0	0	110	Y247 C250	Y247-P253 HydrophobicContact CD2-CB 3.79Å; Y247-P253 HydrophobicContact CE2-CB 3.38Å; Y247-P253 HydrophobicContact CE2-CG 4.42Å; C250-P253 HydrophobicContact CB-CB 3.99Å; C250-P253 HydrophobicContact CB-CG 4.28Å; C250-P253 WeakPolarHBondContact O-CD 3.35Å
254	V	97.8	Very high	97.6	Very high	22 Å²	22	53.4 Å²	53.4	13%	0.133	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-101.3	167.6	159.8	-60.2	0	0	0	0	109.4	P226 V227 L228 Y247 P256 F280	P226-V254 HydrophobicContact CB-CG1 4.08Å; V227-V254 WeakPolarHBondContact O-CG2 3.38Å; V227-V254 PolarHBondContact O-N 3.02Å; L228-V254 HydrophobicContact CB-CG2 3.69Å; L228-V254 HydrophobicContact CD1-CG2 4.14Å; L228-V254 HydrophobicContact CG-CG2 4.49Å; Y247-V254 WeakPolarHBondContact CE2-O 3.45Å; V254-P256 VanDerWaalsContact O-N 3.09Å; V254-F280 HydrophobicContact CB-CE2 4.23Å; V254-F280 HydrophobicContact CG1-CE2 3.96Å; V254-F280 HydrophobicContact CG2-CD2 3.9Å; V254-F280 HydrophobicContact CG2-CE2 3.48Å; V254-F280 VanDerWaalsContact CG2-CE2 3.48Å; V254-F280 HydrophobicContact CG2-CZ 4.14Å
255	E	97.9	Very high	97.3	Very high	135 Å²	135	56.2 Å²	56.2	63%	0.631	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-48.9	119.3	-178.6	-171.7	61.3	-157.2	0	0	111.2	L228 R276	L228-E255 WeakPolarHBondContact CD1-O 3.34Å; E255-R276 PolarHBondContact O-NE 3.05Å; E255-R276 PolarHBondContact O-NH2 2.81Å
256	P	98.6	Very high	97.1	Very high	13 Å²	13	57.7 Å²	57.7	8%	0.084	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-74.5	172.2	-175.5	31.9	-34	0	0	0	110.9	V229 Y247 V254 W258	V229-P256 CarbonylContact O-C 3.57Å; V229-P256 WeakPolarHBondContact O-CA 3.45Å; Y247-P256 HydrophobicContact CD2-CB 3.94Å; Y247-P256 HydrophobicContact CD2-CG 4.13Å; Y247-P256 HydrophobicContact CE1-CG 4.32Å; Y247-P256 HydrophobicContact CE2-CB 3.9Å; Y247-P256 HydrophobicContact CE2-CG 3.71Å; V254-P256 VanDerWaalsContact O-N 3.09Å; P256-W258 HydrophobicContact CB-CD2 4.08Å; P256-W258 HydrophobicContact CB-CE3 4.29Å; P256-W258 HydrophobicContact CB-CH2 3.59Å; P256-W258 HydrophobicContact CB-CZ2 3.29Å; P256-W258 HydrophobicContact CB-CZ3 4.08Å; P256-W258 HydrophobicContact CG-CD2 4.31Å; P256-W258 VanDerWaalsContact CG-CE2 3.44Å; P256-W258 HydrophobicContact CG-CH2 4.23Å; P256-W258 HydrophobicContact CG-CZ2 3.41Å; P256-W258 VanDerWaalsContact CG-CZ2 3.41Å
257	L	98.8	Very high	96.9	Very high	19 Å²	19	57.7 Å²	57.7	10%	0.099	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	106.6	167	179.3	68.4	0	0	0	109.9	V229 I230 H231 V259 Q272 R276	V229-L257 PolarHBondContact O-N 2.59Å; I230-L257 CarbonylContact C-O 3.55Å; I230-L257 VanDerWaalsContact CA-O 3.3Å; I230-L257 WeakPolarHBondContact CA-O 3.48Å; I230-L257 HydrophobicContact CB-CB 4.49Å; I230-L257 HydrophobicContact CG1-CB 4.18Å; I230-L257 HydrophobicContact CG2-CB 4.23Å; I230-L257 HydrophobicContact CG2-CD2 3.93Å; I230-L257 HydrophobicContact CG2-CG 4.31Å; H231-L257 PolarHBondContact N-O 3.15Å; L257-V259 HydrophobicContact CD1-CG2 4.45Å; L257-V259 HydrophobicContact CD2-CG2 3.82Å; L257-V259 HydrophobicContact CG-CG2 3.76Å; L257-Q272 HydrophobicContact CD1-CB 4.27Å; L257-Q272 HydrophobicContact CD1-CG 4.14Å; L257-Q272 HydrophobicContact CD2-CG 4.35Å; L257-R276 HydrophobicContact CB-CB 4.3Å; L257-R276 HydrophobicContact CB-CG 3.89Å; L257-R276 HydrophobicContact CD1-CB 4.32Å; L257-R276 HydrophobicContact CD2-CB 3.76Å; L257-R276 HydrophobicContact CD2-CG 4.24Å; L257-R276 HydrophobicContact CG-CB 4.35Å; L257-R276 HydrophobicContact CG-CG 4.48Å
258	W	98.7	Very high	96.8	Very high	71 Å²	71	58.1 Å²	58.1	27%	0.269	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	115.9	167.7	-45.3	136.1	0	0	0	107.9	V229 H231 T233 F240 L244 Y247 P256 E260 Q272	V229-W258 HydrophobicContact CB-CH2 3.94Å; V229-W258 HydrophobicContact CB-CZ3 4.11Å; V229-W258 HydrophobicContact CG1-CH2 3.8Å; V229-W258 HydrophobicContact CG1-CZ3 3.68Å; H231-W258 HydrophobicContact CB-CE3 3.86Å; H231-W258 HydrophobicContact CB-CZ3 3.82Å; H231-W258 CarbonylContact O-C 3.57Å; H231-W258 WeakPolarHBondContact O-CA 3.24Å; T233-W258 HydrophobicContact CG2-CB 4.29Å; F240-W258 HydrophobicContact CD2-CE3 4.48Å; F240-W258 HydrophobicContact CE2-CB 4.07Å; F240-W258 AromaticContact CE2-CD2 3.59Å; F240-W258 HydrophobicContact CE2-CD2 3.59Å; F240-W258 AromaticContact CE2-CE3 3.55Å; F240-W258 HydrophobicContact CE2-CE3 3.55Å; F240-W258 AromaticContact CE2-CG 3.83Å; F240-W258 HydrophobicContact CE2-CG 3.83Å; F240-W258 HydrophobicContact CE2-CZ3 4.17Å; F240-W258 HydrophobicContact CZ-CB 4.44Å; F240-W258 AromaticContact CZ-CD2 3.9Å; F240-W258 HydrophobicContact CZ-CD2 3.9Å; F240-W258 HydrophobicContact CZ-CE3 4.27Å; F240-W258 AromaticContact CZ-CG 3.97Å; F240-W258 HydrophobicContact CZ-CG 3.97Å; L244-W258 HydrophobicContact CD1-CZ2 4.44Å; Y247-W258 HydrophobicContact CD1-CZ2 4.28Å; Y247-W258 HydrophobicContact CG-CH2 4.27Å; Y247-W258 HydrophobicContact CG-CZ2 4.11Å; P256-W258 HydrophobicContact CB-CD2 4.08Å; P256-W258 HydrophobicContact CB-CE3 4.29Å; P256-W258 HydrophobicContact CB-CH2 3.59Å; P256-W258 HydrophobicContact CB-CZ2 3.29Å; P256-W258 HydrophobicContact CB-CZ3 4.08Å; P256-W258 HydrophobicContact CG-CD2 4.31Å; P256-W258 VanDerWaalsContact CG-CE2 3.44Å; P256-W258 HydrophobicContact CG-CH2 4.23Å; P256-W258 HydrophobicContact CG-CZ2 3.41Å; P256-W258 VanDerWaalsContact CG-CZ2 3.41Å; W258-E260 PolarHBondContact O-N 3.11Å; W258-Q272 PolarHBondContact O-NE2 2.99Å
259	V	98.4	Very high	96.6	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	101.5	-178.2	-171.6	0	0	0	0	109	H231 G232 T233 L257 G261 A262 V267 Y270 Q272	H231-V259 PolarHBondContact O-N 3.39Å; G232-V259 WeakPolarHBondContact CA-O 3.47Å; T233-V259 PolarHBondContact N-O 3.41Å; L257-V259 HydrophobicContact CD1-CG2 4.45Å; L257-V259 HydrophobicContact CD2-CG2 3.82Å; L257-V259 HydrophobicContact CG-CG2 3.76Å; V259-G261 PolarHBondContact O-N 3.46Å; V259-A262 HydrophobicContact CB-CB 3.75Å; V259-A262 HydrophobicContact CG1-CB 3.45Å; V259-A262 VanDerWaalsContact CG1-CB 3.45Å; V259-A262 PolarHBondContact O-N 3.28Å; V259-V267 HydrophobicContact CB-CG1 4.46Å; V259-V267 HydrophobicContact CG2-CG1 3.81Å; V259-Y270 HydrophobicContact CG1-CD1 3.6Å; V259-Y270 HydrophobicContact CG1-CD2 3.9Å; V259-Y270 HydrophobicContact CG1-CE1 4.17Å; V259-Y270 HydrophobicContact CG1-CE2 4.47Å; V259-Y270 HydrophobicContact CG1-CG 3.46Å; V259-Y270 VanDerWaalsContact CG1-CG 3.46Å; V259-Q272 HydrophobicContact CG1-CG 4.14Å; V259-Q272 HydrophobicContact CG2-CG 4.16Å
260	E	98.1	Very high	96.6	Very high	139 Å²	139	56.6 Å²	56.6	65%	0.65	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	125.7	-176.8	-165.6	62	-118.7	0	0	111.1	T233 W258 A262	T233-E260 WeakPolarHBondContact OG1-CA 3.43Å; T233-E260 PolarHBondContact OG1-OE1 3.44Å; W258-E260 PolarHBondContact O-N 3.11Å; E260-A262 PolarHBondContact O-N 3.37Å
261	G	97.4	Very high	96.6	Very high	24 Å²	24	58.4 Å²	58.4	25%	0.247	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	2.2	179.5	0	0	0	0	0	115.3	T233 V259 Y270	T233-G261 PolarHBondContact OG1-N 3.12Å; V259-G261 PolarHBondContact O-N 3.46Å; G261-Y270 PolarHBondContact O-OH 2.62Å
262	A	97.8	Very high	96.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.293	C	S	.	.			trans	-83.6	142.7	173.5	0	0	0	0	0	111.1	G232 T233 E234 V259 E260 D266 V267 Y270	G232-A262 CarbonylContact C-O 3.57Å; G232-A262 VanDerWaalsContact C-O 3.28Å; G232-A262 WeakPolarHBondContact CA-O 3.47Å; T233-A262 PolarHBondContact N-O 3.12Å; E234-A262 CarbonylContact C-O 3.53Å; E234-A262 PolarHBondContact N-O 2.92Å; V259-A262 HydrophobicContact CB-CB 3.75Å; V259-A262 HydrophobicContact CG1-CB 3.45Å; V259-A262 VanDerWaalsContact CG1-CB 3.45Å; V259-A262 PolarHBondContact O-N 3.28Å; E260-A262 PolarHBondContact O-N 3.37Å; A262-D266 WeakPolarHBondContact CA-OD1 3.42Å; A262-D266 WeakPolarHBondContact CB-OD1 3.43Å; A262-V267 HydrophobicContact CB-CG2 4.2Å; A262-Y270 HydrophobicContact CB-CD2 3.9Å; A262-Y270 HydrophobicContact CB-CE1 4.44Å; A262-Y270 HydrophobicContact CB-CE2 3.5Å; A262-Y270 VanDerWaalsContact CB-CE2 3.5Å
263	G	94.8	Very high	96.8	Very high	13 Å²	13	51.8 Å²	51.8	13%	0.134	28%	0.276	C	S	.	.			trans	-94.4	-163.2	170.3	0	0	0	0	0	113	E234 N265 D266 V267	E234-G263 WeakPolarHBondContact O-CA 3.4Å; G263-N265 PolarHBondContact O-N 2.79Å; G263-D266 PolarHBondContact N-OD1 3.28Å; G263-V267 VanDerWaalsContact O-CG2 3.24Å; G263-V267 WeakPolarHBondContact O-CG2 3.2Å
264	H	94.8	Very high	96.8	Very high	18 Å²	18	51 Å²	51	8%	0.083	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-33.1	-174.2	-160.9	64.7	0	0	0	114.9	S170 D235 V237 I238	S170-H264 VanDerWaalsContact CB-NE2 3.3Å; S170-H264 WeakPolarHBondContact CB-NE2 3.21Å; S170-H264 PolarHBondContact OG-CE1 3.14Å; S170-H264 PolarHBondContact OG-NE2 3.09Å; D235-H264 VanDerWaalsContact CG-ND1 3.29Å; D235-H264 WeakPolarHBondContact OD1-CB 3.26Å; D235-H264 IonicContact OD1-CG 3.74Å; D235-H264 IonicContact OD1-ND1 3.11Å; D235-H264 PolarHBondContact OD1-ND1 3.43Å; D235-H264 VanDerWaalsContact OD1-ND1 3.08Å; D235-H264 IonicContact OD2-CE1 2.82Å; D235-H264 IonicContact OD2-CG 2.92Å; D235-H264 IonicContact OD2-ND1 3.62Å; D235-H264 PolarHBondContact OD2-ND1 3.39Å; V237-H264 HydrophobicContact CB-CB 3.76Å; V237-H264 HydrophobicContact CG2-CB 3.62Å; I238-H264 VanDerWaalsContact CG1-CE1 3.41Å; I238-H264 WeakPolarHBondContact CG1-CE1 3.21Å
265	N	91.3	Very high	96.8	Very high	119 Å²	119	56.3 Å²	56.3	64%	0.636	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	10.4	-165.1	-58.8	-56.2	0	0	0	113.3	G263	G263-N265 PolarHBondContact O-N 2.79Å
266	D	93.9	Very high	96.8	Very high	52 Å²	52	51 Å²	51	28%	0.278	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	0.2	-177.6	61.5	16.2	0	0	0	113.8	A262 G263 E268 L269 Y270	A262-D266 WeakPolarHBondContact CA-OD1 3.42Å; A262-D266 WeakPolarHBondContact CB-OD1 3.43Å; G263-D266 PolarHBondContact N-OD1 3.28Å; D266-E268 PolarHBondContact O-N 3.24Å; D266-L269 HydrophobicContact CB-CD1 3.89Å; D266-L269 HydrophobicContact CB-CG 4.28Å; D266-L269 WeakPolarHBondContact O-CA 3.29Å; D266-L269 WeakPolarHBondContact O-CB 3.31Å; D266-L269 WeakPolarHBondContact O-CG 3.13Å; D266-L269 PolarHBondContact O-N 3.23Å; D266-Y270 VanDerWaalsContact O-CD2 3.26Å; D266-Y270 WeakPolarHBondContact O-CD2 3.4Å
267	V	96	Very high	96.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-50	-45.3	178.4	179.5	0	0	0	0	111.6	H191 I230 V259 A262 G263 L269 Y270 Y273	H191-V267 VanDerWaalsContact NE2-CB 3.34Å; H191-V267 WeakPolarHBondContact NE2-CB 3.42Å; H191-V267 WeakPolarHBondContact NE2-CG1 3.5Å; I230-V267 HydrophobicContact CG2-CG1 3.78Å; V259-V267 HydrophobicContact CB-CG1 4.46Å; V259-V267 HydrophobicContact CG2-CG1 3.81Å; A262-V267 HydrophobicContact CB-CG2 4.2Å; G263-V267 VanDerWaalsContact O-CG2 3.24Å; G263-V267 WeakPolarHBondContact O-CG2 3.2Å; V267-L269 PolarHBondContact O-N 3.27Å; V267-Y270 PolarHBondContact O-N 3.06Å; V267-Y270 VanDerWaalsContact O-N 3.15Å; V267-Y273 HydrophobicContact CG1-CD2 4.03Å
268	E	95.3	Very high	96.7	Very high	62 Å²	62	53.9 Å²	53.9	29%	0.29	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-64.7	-15.4	178.6	57.5	-94.5	-153	0	0	114.9	F110 H191 D266 Y270 Y273	F110-E268 HydrophobicContact CE2-CB 4.28Å; H191-E268 IonicContact CE1-OE2 3.52Å; D266-E268 PolarHBondContact O-N 3.24Å; E268-Y270 VanDerWaalsContact C-N 3.31Å; E268-Y273 HydrophobicContact CB-CD1 4.18Å; E268-Y273 HydrophobicContact CB-CE1 4.14Å
269	L	95.1	Very high	96.7	Very high	139 Å²	139	54.8 Å²	54.8	73%	0.728	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-78.8	-17.8	176.5	-53	-175.7	0	0	0	112.2	D266 V267	D266-L269 HydrophobicContact CB-CD1 3.89Å; D266-L269 HydrophobicContact CB-CG 4.28Å; D266-L269 WeakPolarHBondContact O-CA 3.29Å; D266-L269 WeakPolarHBondContact O-CB 3.31Å; D266-L269 WeakPolarHBondContact O-CG 3.13Å; D266-L269 PolarHBondContact O-N 3.23Å; V267-L269 PolarHBondContact O-N 3.27Å
270	Y	97.4	Very high	96.7	Very high	79 Å²	79	54.8 Å²	54.8	31%	0.31	28%	0.284	S	S	.	.	S	Bend	trans	-85.2	128.7	178.8	-67.4	-111.1	0	0	0	110.4	V259 G261 A262 D266 V267 E268 Q272 Y273	V259-Y270 HydrophobicContact CG1-CD1 3.6Å; V259-Y270 HydrophobicContact CG1-CD2 3.9Å; V259-Y270 HydrophobicContact CG1-CE1 4.17Å; V259-Y270 HydrophobicContact CG1-CE2 4.47Å; V259-Y270 HydrophobicContact CG1-CG 3.46Å; V259-Y270 VanDerWaalsContact CG1-CG 3.46Å; G261-Y270 PolarHBondContact O-OH 2.62Å; A262-Y270 HydrophobicContact CB-CD2 3.9Å; A262-Y270 HydrophobicContact CB-CE1 4.44Å; A262-Y270 HydrophobicContact CB-CE2 3.5Å; A262-Y270 VanDerWaalsContact CB-CE2 3.5Å; D266-Y270 VanDerWaalsContact O-CD2 3.26Å; D266-Y270 WeakPolarHBondContact O-CD2 3.4Å; V267-Y270 PolarHBondContact O-N 3.06Å; V267-Y270 VanDerWaalsContact O-N 3.15Å; E268-Y270 VanDerWaalsContact C-N 3.31Å; Y270-Q272 PolarHBondContact O-N 3.1Å; Y270-Q272 VanDerWaalsContact O-N 3.09Å; Y270-Y273 VanDerWaalsContact O-CB 3.27Å; Y270-Y273 WeakPolarHBondContact O-CB 3.15Å; Y270-Y273 PolarHBondContact O-N 2.85Å
271	G	96.6	Very high	96.6	Very high	51 Å²	51	48.6 Å²	48.6	53%	0.526	26%	0.256	S	S	.	.	H	α-helix	trans	-55.1	-33.9	-177.1	0	0	0	0	0	114.3	Y273 L274 E275	G271-Y273 PolarHBondContact O-N 3.04Å; G271-L274 PolarHBondContact O-N 2.95Å; G271-L274 VanDerWaalsContact O-N 3.14Å; G271-E275 PolarHBondContact O-N 3.21Å
272	Q	97.6	Very high	96.4	Very high	68 Å²	68	50 Å²	50	32%	0.318	27%	0.265	S	S	.	.	H	α-helix	trans	-59.3	-27.9	178.2	65.8	-173.6	77.2	0	0	113.8	L257 W258 V259 Y270 E275 R276	L257-Q272 HydrophobicContact CD1-CB 4.27Å; L257-Q272 HydrophobicContact CD1-CG 4.14Å; L257-Q272 HydrophobicContact CD2-CG 4.35Å; W258-Q272 PolarHBondContact O-NE2 2.99Å; V259-Q272 HydrophobicContact CG1-CG 4.14Å; V259-Q272 HydrophobicContact CG2-CG 4.16Å; Y270-Q272 PolarHBondContact O-N 3.1Å; Y270-Q272 VanDerWaalsContact O-N 3.09Å; Q272-E275 PolarHBondContact O-N 3.21Å; Q272-R276 WeakPolarHBondContact O-CB 3.46Å; Q272-R276 PolarHBondContact O-N 2.7Å
273	Y	98.4	Very high	96.1	Very high	8 Å²	8	54.8 Å²	54.8	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-57.4	-51.2	175	169.9	-99.5	0	0	0	110.9	L114 Y167 H191 I230 V267 E268 Y270 G271 L277	L114-Y273 HydrophobicContact CD1-CE1 4.11Å; Y167-Y273 WeakPolarHBondContact OH-CE2 3.49Å; Y167-Y273 PolarHBondContact OH-OH 2.91Å; H191-Y273 AromaticContact CE1-CE2 3.95Å; H191-Y273 AromaticContact ND1-CE2 3.99Å; I230-Y273 HydrophobicContact CD1-CD2 4.19Å; I230-Y273 HydrophobicContact CD1-CE2 4.06Å; I230-Y273 HydrophobicContact CG2-CD2 4.18Å; V267-Y273 HydrophobicContact CG1-CD2 4.03Å; E268-Y273 HydrophobicContact CB-CD1 4.18Å; E268-Y273 HydrophobicContact CB-CE1 4.14Å; Y270-Y273 VanDerWaalsContact O-CB 3.27Å; Y270-Y273 WeakPolarHBondContact O-CB 3.15Å; Y270-Y273 PolarHBondContact O-N 2.85Å; G271-Y273 PolarHBondContact O-N 3.04Å; Y273-L277 HydrophobicContact CD1-CD1 4.18Å; Y273-L277 HydrophobicContact CD2-CD1 4.32Å; Y273-L277 HydrophobicContact CE1-CD1 3.61Å; Y273-L277 HydrophobicContact CE2-CD1 3.8Å; Y273-L277 HydrophobicContact CG-CD1 4.49Å; Y273-L277 VanDerWaalsContact CZ-CD1 3.41Å; Y273-L277 WeakPolarHBondContact O-CG 3.36Å; Y273-L277 PolarHBondContact O-N 3.44Å
274	L	97.9	Very high	96	Very high	39 Å²	39	56.2 Å²	56.2	20%	0.204	29%	0.291	C	S	.	.	H	α-helix	trans	-71.7	-38.7	-178.6	-177.3	65.9	0	0	0	111.7	R117 I118 G271 L277 K278	R117-L274 HydrophobicContact CB-CD1 3.67Å; R117-L274 HydrophobicContact CB-CD2 4.01Å; R117-L274 HydrophobicContact CB-CG 4.43Å; R117-L274 HydrophobicContact CG-CD2 4.32Å; I118-L274 HydrophobicContact CG2-CD1 3.51Å; G271-L274 PolarHBondContact O-N 2.95Å; G271-L274 VanDerWaalsContact O-N 3.14Å; L274-L277 PolarHBondContact O-N 3.05Å; L274-K278 HydrophobicContact CG-CD 4.26Å; L274-K278 WeakPolarHBondContact O-CB 3.29Å; L274-K278 WeakPolarHBondContact O-CG 3.39Å; L274-K278 PolarHBondContact O-N 3.07Å
275	E	98.2	Very high	95.9	Very high	133 Å²	133	55.5 Å²	55.5	62%	0.621	29%	0.288	S	S	*	.	H	α-helix	trans	-61.4	-47.1	178.1	-69.2	174	172.6	0	0	111.6	G271 Q272 L277 K278 Q279	G271-E275 PolarHBondContact O-N 3.21Å; Q272-E275 PolarHBondContact O-N 3.21Å; E275-L277 PolarHBondContact O-N 3.24Å; E275-K278 PolarHBondContact O-N 2.96Å; E275-Q279 WeakPolarHBondContact O-CB 3.28Å; E275-Q279 PolarHBondContact O-N 2.86Å
276	R	98.4	Very high	95.5	Very high	24 Å²	24	52 Å²	52	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-46.1	176.8	179.4	74.2	-166.6	92.3	-8.1	111.7	L228 E255 L257 Q272 Q279 F280 E284	L228-R276 HydrophobicContact CD1-CG 4.2Å; L228-R276 HydrophobicContact CD2-CG 4.18Å; E255-R276 PolarHBondContact O-NE 3.05Å; E255-R276 PolarHBondContact O-NH2 2.81Å; L257-R276 HydrophobicContact CB-CB 4.3Å; L257-R276 HydrophobicContact CB-CG 3.89Å; L257-R276 HydrophobicContact CD1-CB 4.32Å; L257-R276 HydrophobicContact CD2-CB 3.76Å; L257-R276 HydrophobicContact CD2-CG 4.24Å; L257-R276 HydrophobicContact CG-CB 4.35Å; L257-R276 HydrophobicContact CG-CG 4.48Å; Q272-R276 WeakPolarHBondContact O-CB 3.46Å; Q272-R276 PolarHBondContact O-N 2.7Å; R276-Q279 WeakPolarHBondContact O-CB 3.38Å; R276-Q279 PolarHBondContact O-N 2.67Å; R276-F280 WeakPolarHBondContact O-CB 3.32Å; R276-F280 PolarHBondContact O-N 3.1Å; R276-E284 IonicContact CZ-OE1 3.4Å; R276-E284 IonicContact CZ-OE2 3.63Å; R276-E284 IonicContact NH1-OE1 3.16Å; R276-E284 PolarHBondContact NH1-OE1 3.08Å; R276-E284 IonicContact NH1-OE2 3.08Å; R276-E284 IonicContact NH2-OE1 2.77Å; R276-E284 PolarHBondContact NH2-OE1 3.47Å; R276-E284 IonicContact NH2-OE2 2.73Å; R276-E284 PolarHBondContact NH2-OE2 3.23Å
277	L	98.4	Very high	94.7	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-41.5	-179.5	-75	174	0	0	0	111.8	L114 I118 Y167 V189 L228 I230 Y273 L274 E275 Q279 F280 V281	L114-L277 HydrophobicContact CD1-CD1 3.94Å; I118-L277 HydrophobicContact CG2-CB 4.02Å; Y167-L277 HydrophobicContact CE2-CD2 4.31Å; V189-L277 HydrophobicContact CG1-CD2 4.26Å; V189-L277 HydrophobicContact CG2-CD2 4.42Å; L228-L277 HydrophobicContact CD2-CD2 4Å; I230-L277 HydrophobicContact CD1-CD2 3.88Å; I230-L277 HydrophobicContact CD1-CG 4.13Å; Y273-L277 HydrophobicContact CD1-CD1 4.18Å; Y273-L277 HydrophobicContact CD2-CD1 4.32Å; Y273-L277 HydrophobicContact CE1-CD1 3.61Å; Y273-L277 HydrophobicContact CE2-CD1 3.8Å; Y273-L277 HydrophobicContact CG-CD1 4.49Å; Y273-L277 VanDerWaalsContact CZ-CD1 3.41Å; Y273-L277 WeakPolarHBondContact O-CG 3.36Å; Y273-L277 PolarHBondContact O-N 3.44Å; L274-L277 PolarHBondContact O-N 3.05Å; E275-L277 PolarHBondContact O-N 3.24Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-Q279 PolarHBondContact O-N 3.4Å; L277-F280 PolarHBondContact O-N 3.19Å; L277-V281 WeakPolarHBondContact O-CB 3.4Å; L277-V281 VanDerWaalsContact O-CG2 3.27Å; L277-V281 WeakPolarHBondContact O-CG2 3Å; L277-V281 PolarHBondContact O-N 2.79Å
278	K	97.3	Very high	93.8	Very high	90 Å²	90	58.8 Å²	58.8	39%	0.391	31%	0.306	S	S	.	.	H	α-helix	trans	-59.1	-47	172.5	-76.1	172.9	174.2	173.9	0	111.2	R117 I118 L274 E275 F280 V281 A282	R117-K278 WeakPolarHBondContact O-CE 3.29Å; I118-K278 HydrophobicContact CG2-CG 4.13Å; L274-K278 HydrophobicContact CG-CD 4.26Å; L274-K278 WeakPolarHBondContact O-CB 3.29Å; L274-K278 WeakPolarHBondContact O-CG 3.39Å; L274-K278 PolarHBondContact O-N 3.07Å; E275-K278 PolarHBondContact O-N 2.96Å; K278-F280 VanDerWaalsContact C-N 3.32Å; K278-F280 PolarHBondContact O-N 2.73Å; K278-V281 PolarHBondContact O-N 3.15Å; K278-A282 WeakPolarHBondContact O-CB 3.31Å; K278-A282 PolarHBondContact O-N 3.39Å
279	Q	97.6	Very high	92.1	Very high	89 Å²	89	59.4 Å²	59.4	42%	0.416	32%	0.317	S	S	.	.	H	α-helix	trans	-58.9	-46.3	178.7	-178.8	60.3	23.3	0	0	111.5	E275 R276 L277 H283 E284	E275-Q279 WeakPolarHBondContact O-CB 3.28Å; E275-Q279 PolarHBondContact O-N 2.86Å; R276-Q279 WeakPolarHBondContact O-CB 3.38Å; R276-Q279 PolarHBondContact O-N 2.67Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-Q279 PolarHBondContact O-N 3.4Å; Q279-H283 WeakPolarHBondContact O-CB 3.31Å; Q279-H283 PolarHBondContact O-N 3.09Å; Q279-H283 VanDerWaalsContact O-N 3.16Å; Q279-H283 PolarHBondContact OE1-CD2 3.22Å; Q279-E284 PolarHBondContact O-N 3.36Å
280	F	97.8	Very high	89.9	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.331	C	S	.	.	I	π-helix	trans	-60.7	-53.3	179.1	-174.7	-131.6	0	0	0	111.7	A187 V189 L228 V254 R276 L277 K278 E284 L285	A187-F280 HydrophobicContact CB-CE1 3.76Å; A187-F280 HydrophobicContact CB-CZ 3.53Å; V189-F280 HydrophobicContact CG2-CD1 4.19Å; V189-F280 HydrophobicContact CG2-CE1 3.83Å; L228-F280 HydrophobicContact CB-CD1 4.19Å; L228-F280 HydrophobicContact CB-CE1 3.91Å; L228-F280 HydrophobicContact CB-CE2 4.35Å; L228-F280 HydrophobicContact CB-CZ 3.97Å; L228-F280 HydrophobicContact CD2-CB 4.04Å; L228-F280 HydrophobicContact CD2-CD1 3.72Å; L228-F280 HydrophobicContact CD2-CE1 4.27Å; L228-F280 HydrophobicContact CD2-CG 3.88Å; V254-F280 HydrophobicContact CB-CE2 4.23Å; V254-F280 HydrophobicContact CG1-CE2 3.96Å; V254-F280 HydrophobicContact CG2-CD2 3.9Å; V254-F280 HydrophobicContact CG2-CE2 3.48Å; V254-F280 VanDerWaalsContact CG2-CE2 3.48Å; V254-F280 HydrophobicContact CG2-CZ 4.14Å; R276-F280 WeakPolarHBondContact O-CB 3.32Å; R276-F280 PolarHBondContact O-N 3.1Å; L277-F280 PolarHBondContact O-N 3.19Å; K278-F280 VanDerWaalsContact C-N 3.32Å; K278-F280 PolarHBondContact O-N 2.73Å; F280-E284 HydrophobicContact CD2-CB 4.09Å; F280-E284 WeakPolarHBondContact CD2-OE2 3.2Å; F280-E284 PolarHBondContact O-N 3.38Å; F280-L285 HydrophobicContact CD1-CD1 4.38Å; F280-L285 HydrophobicContact CD2-CD2 4.36Å; F280-L285 HydrophobicContact CD2-CG 4.34Å; F280-L285 HydrophobicContact CE1-CD1 4.13Å; F280-L285 HydrophobicContact CE1-CD2 4.29Å; F280-L285 HydrophobicContact CE1-CG 4.36Å; F280-L285 HydrophobicContact CE2-CD2 3.68Å; F280-L285 HydrophobicContact CE2-CG 4.12Å; F280-L285 HydrophobicContact CZ-CD1 4.35Å; F280-L285 HydrophobicContact CZ-CD2 3.68Å; F280-L285 HydrophobicContact CZ-CG 4.17Å; F280-L285 WeakPolarHBondContact O-CG 3.29Å; F280-L285 PolarHBondContact O-N 3.18Å
281	V	96.6	Very high	89.5	Confident	9 Å²	9	59.8 Å²	59.8	6%	0.055	33%	0.332	C	S	.	.	I	π-helix	trans	-71.6	-45.6	-173.4	173.8	0	0	0	0	112.3	F92 I118 C120 I165 L277 K278	F92-V281 HydrophobicContact CD2-CG1 3.84Å; F92-V281 HydrophobicContact CE2-CG1 4.39Å; I118-V281 HydrophobicContact CD1-CG2 4.47Å; C120-V281 VanDerWaalsContact SG-CG1 3.58Å; I165-V281 HydrophobicContact CD1-CG2 3.85Å; L277-V281 WeakPolarHBondContact O-CB 3.4Å; L277-V281 VanDerWaalsContact O-CG2 3.27Å; L277-V281 WeakPolarHBondContact O-CG2 3Å; L277-V281 PolarHBondContact O-N 2.79Å; K278-V281 PolarHBondContact O-N 3.15Å
282	A	93.3	Very high	89.2	Confident	54 Å²	54	60.2 Å²	60.2	45%	0.446	32%	0.322	S	S	.	.	I	π-helix	trans	-83.4	-25.9	-170.8	0	0	0	0	0	113.5	K278 V286	K278-A282 WeakPolarHBondContact O-CB 3.31Å; K278-A282 PolarHBondContact O-N 3.39Å; A282-V286 WeakPolarHBondContact O-CG2 3.48Å
283	H	91.1	Very high	88.7	Confident	100 Å²	100	59.8 Å²	59.8	46%	0.463	32%	0.322	S	S	.	.	I	π-helix	trans	-120.1	-56.9	-172.9	-57.8	-68.1	0	0	0	112.3	Q279 V286 N287	Q279-H283 WeakPolarHBondContact O-CB 3.31Å; Q279-H283 PolarHBondContact O-N 3.09Å; Q279-H283 VanDerWaalsContact O-N 3.16Å; Q279-H283 PolarHBondContact OE1-CD2 3.22Å; H283-V286 PolarHBondContact O-N 2.52Å; H283-N287 PolarHBondContact O-N 3.1Å; H283-N287 PolarHBondContact O-ND2 3.26Å
284	E	93.3	Very high	88.1	Confident	44 Å²	44	62.8 Å²	62.8	21%	0.206	34%	0.339	C	S	.	.	I	π-helix	trans	-66.9	-49	-173.3	-68.1	167.5	-133.6	0	0	112.2	R276 Q279 F280 V286 N287 L288	R276-E284 IonicContact CZ-OE1 3.4Å; R276-E284 IonicContact CZ-OE2 3.63Å; R276-E284 IonicContact NH1-OE1 3.16Å; R276-E284 PolarHBondContact NH1-OE1 3.08Å; R276-E284 IonicContact NH1-OE2 3.08Å; R276-E284 IonicContact NH2-OE1 2.77Å; R276-E284 PolarHBondContact NH2-OE1 3.47Å; R276-E284 IonicContact NH2-OE2 2.73Å; R276-E284 PolarHBondContact NH2-OE2 3.23Å; Q279-E284 PolarHBondContact O-N 3.36Å; F280-E284 HydrophobicContact CD2-CB 4.09Å; F280-E284 WeakPolarHBondContact CD2-OE2 3.2Å; F280-E284 PolarHBondContact O-N 3.38Å; E284-V286 VanDerWaalsContact C-N 3.3Å; E284-V286 PolarHBondContact O-N 2.95Å; E284-N287 PolarHBondContact O-N 3.34Å; E284-L288 VanDerWaalsContact O-CG 3.3Å; E284-L288 WeakPolarHBondContact O-CG 3.41Å; E284-L288 PolarHBondContact O-N 2.8Å
285	L	91.8	Very high	87.5	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-67.2	-30.7	-179.5	-65.7	-173.9	0	0	0	113.5	F92 I165 A187 F280 L288 S289	F92-L285 HydrophobicContact CE2-CB 4.11Å; F92-L285 HydrophobicContact CE2-CD1 4.43Å; F92-L285 HydrophobicContact CZ-CB 3.81Å; F92-L285 HydrophobicContact CZ-CD1 4.32Å; I165-L285 HydrophobicContact CD1-CD1 3.56Å; I165-L285 HydrophobicContact CG1-CD1 3.92Å; A187-L285 HydrophobicContact CB-CD1 3.93Å; A187-L285 HydrophobicContact CB-CD2 3.64Å; A187-L285 HydrophobicContact CB-CG 4.44Å; F280-L285 HydrophobicContact CD1-CD1 4.38Å; F280-L285 HydrophobicContact CD2-CD2 4.36Å; F280-L285 HydrophobicContact CD2-CG 4.34Å; F280-L285 HydrophobicContact CE1-CD1 4.13Å; F280-L285 HydrophobicContact CE1-CD2 4.29Å; F280-L285 HydrophobicContact CE1-CG 4.36Å; F280-L285 HydrophobicContact CE2-CD2 3.68Å; F280-L285 HydrophobicContact CE2-CG 4.12Å; F280-L285 HydrophobicContact CZ-CD1 4.35Å; F280-L285 HydrophobicContact CZ-CD2 3.68Å; F280-L285 HydrophobicContact CZ-CG 4.17Å; F280-L285 WeakPolarHBondContact O-CG 3.29Å; F280-L285 PolarHBondContact O-N 3.18Å; L285-L288 HydrophobicContact CD2-CD1 4.32Å; L285-S289 PolarHBondContact O-N 3.23Å; L285-S289 PolarHBondContact O-OG 3.13Å
286	V	83.3	Confident	86.8	Confident	45 Å²	45	59.7 Å²	59.7	27%	0.273	33%	0.329	S	S	.	.	H	α-helix	trans	-67.4	-42.9	176.9	178.9	0	0	0	0	110.1	A282 H283 E284 S289	A282-V286 WeakPolarHBondContact O-CG2 3.48Å; H283-V286 PolarHBondContact O-N 2.52Å; E284-V286 VanDerWaalsContact C-N 3.3Å; E284-V286 PolarHBondContact O-N 2.95Å; V286-S289 PolarHBondContact O-N 2.91Å
287	N	78.5	Confident	86	Confident	110 Å²	110	62.3 Å²	62.3	59%	0.588	35%	0.346	S	S	*	.	H	α-helix	trans	-71.9	-29.1	179.5	-65.8	-15.8	0	0	0	113	H283 E284 S289 T290	H283-N287 PolarHBondContact O-N 3.1Å; H283-N287 PolarHBondContact O-ND2 3.26Å; E284-N287 PolarHBondContact O-N 3.34Å; N287-S289 PolarHBondContact O-N 3.1Å; N287-T290 PolarHBondContact O-OG1 3.39Å
288	L	75.1	Confident	85	Confident	85 Å²	85	66.8 Å²	66.8	45%	0.445	37%	0.372	S	S	.	.	H	α-helix	trans	-74.7	-14.2	174.7	-69.6	171.4	0	0	0	113.4	P226 E284 L285	P226-L288 HydrophobicContact CB-CD1 4.07Å; P226-L288 HydrophobicContact CG-CD1 3.72Å; E284-L288 VanDerWaalsContact O-CG 3.3Å; E284-L288 WeakPolarHBondContact O-CG 3.41Å; E284-L288 PolarHBondContact O-N 2.8Å; L285-L288 HydrophobicContact CD2-CD1 4.32Å
289	S	61	Low	84	Confident	74 Å²	74	64.9 Å²	64.9	52%	0.517	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-3.3	-179.9	-54	0	0	0	0	113.6	R91 L285 V286 N287	R91-S289 VanDerWaalsContact NH2-CB 3.34Å; R91-S289 PolarHBondContact NH2-OG 2.95Å; L285-S289 PolarHBondContact O-N 3.23Å; L285-S289 PolarHBondContact O-OG 3.13Å; V286-S289 PolarHBondContact O-N 2.91Å; N287-S289 PolarHBondContact O-N 3.1Å
290	T	48.5	Very low	82.7	Confident	166 Å²	166	62.7 Å²	62.7	100%	1.018	37%	0.366	S	S	*	.			trans	-106.9	0	177.8	39	0	0	0	0	110.4	N287	N287-T290 PolarHBondContact O-OG1 3.39Å

Retrieved 290 of 290 residues in 219.9 ms (Link to these results)

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