A0A3B3V8J4_9TELE Loading...

Alpha/beta hydrolase domain-containing protein 17B

AlphaFold DB , UniProt , Accession A0A3B3V8J4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 288 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	50.6	Low	223 Å²	223	105.9 Å²	105.9	100%	1.099	56%	0.561	S	S	*	*				0	121.6	0	-74.4	173.8	-120.4	0	0	107	H3	M1-H3 PolarHBondContact O-N 3.12Å; M1-H3 VanDerWaalsContact O-N 3.16Å
2	N	37.5	Very low	50.8	Low	165 Å²	165	101.9 Å²	101.9	88%	0.882	54%	0.54	S	S	*	.			trans	-69.2	111	-174.1	-72	-15.9	0	0	0	109.6	L4	N2-L4 PolarHBondContact O-N 3.48Å
3	H	45.7	Very low	50.6	Low	181 Å²	181	98.1 Å²	98.1	84%	0.838	52%	0.516	S	S	*	.			trans	-70.7	96.9	175.4	-73.8	-77.6	0	0	0	109.3	M1 T5	M1-H3 PolarHBondContact O-N 3.12Å; M1-H3 VanDerWaalsContact O-N 3.16Å; H3-T5 PolarHBondContact O-N 2.97Å
4	L	53.6	Low	50.8	Low	95 Å²	95	96 Å²	96	50%	0.497	51%	0.512	S	S	.	.			trans	-66.8	127.3	167.1	-75.4	161	0	0	0	108.8	N2 E8 L9 L12	N2-L4 PolarHBondContact O-N 3.48Å; L4-E8 WeakPolarHBondContact CA-OE2 3.26Å; L4-E8 HydrophobicContact CD2-CB 3.95Å; L4-L9 HydrophobicContact CB-CG 4.39Å; L4-L12 HydrophobicContact CD1-CD1 4.31Å; L4-L12 HydrophobicContact CD2-CD1 4.48Å
5	T	60	Low	50.8	Low	75 Å²	75	94.1 Å²	94.1	46%	0.46	51%	0.508	S	S	.	.			trans	-74.2	158.3	178.9	62.3	0	0	0	0	111.6	H3 S7 E8 L9	H3-T5 PolarHBondContact O-N 2.97Å; T5-S7 PolarHBondContact O-N 3.09Å; T5-S7 VanDerWaalsContact O-N 3.12Å; T5-E8 PolarHBondContact N-OE2 3.43Å; T5-E8 PolarHBondContact O-N 3.26Å; T5-E8 VanDerWaalsContact OG1-CD 3.29Å; T5-E8 VanDerWaalsContact OG1-CG 3.29Å; T5-E8 WeakPolarHBondContact OG1-CG 3.22Å; T5-E8 PolarHBondContact OG1-N 3.43Å; T5-E8 PolarHBondContact OG1-OE2 2.96Å; T5-L9 PolarHBondContact O-N 3.05Å
6	F	52.9	Low	50.5	Low	122 Å²	122	95.8 Å²	95.8	54%	0.535	53%	0.526	S	S	.	.	H	α-helix	trans	-53.2	-33.6	175.3	-175.8	-99.3	0	0	0	112.6	C10	F6-C10 WeakPolarHBondContact O-CB 3.36Å; F6-C10 PolarHBondContact O-N 3.46Å
7	S	52.5	Low	50.2	Low	79 Å²	79	96.6 Å²	96.6	55%	0.552	54%	0.537	S	S	*	.	H	α-helix	trans	-70.2	-39.9	176.3	-170.8	0	0	0	0	112.7	T5 L9 C10 C11	T5-S7 PolarHBondContact O-N 3.09Å; T5-S7 VanDerWaalsContact O-N 3.12Å; S7-L9 VanDerWaalsContact C-N 3.32Å; S7-C10 PolarHBondContact O-N 2.77Å; S7-C11 PolarHBondContact O-N 3.03Å; S7-C11 PolarHBondContact O-SG 3.46Å
8	E	53.4	Low	50.2	Low	89 Å²	89	94.8 Å²	94.8	42%	0.416	53%	0.531	S	S	.	.	H	α-helix	trans	-69	-34.7	177.4	-71.5	164.4	144.5	0	0	111.2	L4 T5 C11 L12	L4-E8 WeakPolarHBondContact CA-OE2 3.26Å; L4-E8 HydrophobicContact CD2-CB 3.95Å; T5-E8 PolarHBondContact N-OE2 3.43Å; T5-E8 PolarHBondContact O-N 3.26Å; T5-E8 VanDerWaalsContact OG1-CD 3.29Å; T5-E8 VanDerWaalsContact OG1-CG 3.29Å; T5-E8 WeakPolarHBondContact OG1-CG 3.22Å; T5-E8 PolarHBondContact OG1-N 3.43Å; T5-E8 PolarHBondContact OG1-OE2 2.96Å; E8-C11 PolarHBondContact O-N 2.9Å; E8-L12 WeakPolarHBondContact O-CB 3.23Å; E8-L12 PolarHBondContact O-N 3Å
9	L	55.6	Low	50.2	Low	18 Å²	18	91.4 Å²	91.4	9%	0.094	51%	0.513	C	S	.	.	H	α-helix	trans	-67.8	-44	171.1	-71.5	151.4	0	0	0	111.6	L4 T5 S7 C11 L12 F13 F202	L4-L9 HydrophobicContact CB-CG 4.39Å; T5-L9 PolarHBondContact O-N 3.05Å; S7-L9 VanDerWaalsContact C-N 3.32Å; L9-C11 PolarHBondContact O-N 3.33Å; L9-L12 CarbonylContact O-C 3.53Å; L9-L12 WeakPolarHBondContact O-CA 3.48Å; L9-L12 WeakPolarHBondContact O-CB 3.19Å; L9-L12 PolarHBondContact O-N 2.76Å; L9-F13 HydrophobicContact CB-CD2 4.28Å; L9-F13 HydrophobicContact CD2-CD2 4.17Å; L9-F13 HydrophobicContact CD2-CE2 3.69Å; L9-F13 WeakPolarHBondContact O-CB 3.39Å; L9-F13 VanDerWaalsContact O-CD2 3.22Å; L9-F13 WeakPolarHBondContact O-CD2 3.1Å; L9-F13 PolarHBondContact O-N 3.48Å; L9-F202 HydrophobicContact CD1-CE1 3.63Å; L9-F202 HydrophobicContact CD1-CE2 3.75Å; L9-F202 HydrophobicContact CD1-CZ 3.12Å; L9-F202 HydrophobicContact CD2-CE2 4.11Å; L9-F202 HydrophobicContact CD2-CZ 3.82Å; L9-F202 HydrophobicContact CG-CZ 4.09Å
10	C	53.8	Low	50.1	Low	46 Å²	46	91.5 Å²	91.5	31%	0.311	52%	0.52	S	S	.	.	H	α-helix	trans	-57.9	-39.1	173.8	-132.8	0	0	0	0	111	F6 S7 F13 C14	F6-C10 WeakPolarHBondContact O-CB 3.36Å; F6-C10 PolarHBondContact O-N 3.46Å; S7-C10 PolarHBondContact O-N 2.77Å; C10-F13 PolarHBondContact O-N 3.29Å; C10-C14 WeakPolarHBondContact O-CA 3.25Å; C10-C14 WeakPolarHBondContact O-CB 3.05Å; C10-C14 PolarHBondContact O-N 3.39Å; C10-C14 PolarHBondContact O-SG 3.36Å
11	C	53.6	Low	50	Low	72 Å²	72	94 Å²	94	49%	0.486	53%	0.525	S	S	.	.	H	α-helix	trans	-67.2	-39.8	172.4	-72.1	0	0	0	0	113	S7 E8 L9 F13 C15	S7-C11 PolarHBondContact O-N 3.03Å; S7-C11 PolarHBondContact O-SG 3.46Å; E8-C11 PolarHBondContact O-N 2.9Å; L9-C11 PolarHBondContact O-N 3.33Å; C11-F13 VanDerWaalsContact C-N 3.34Å; C11-C15 VanDerWaalsContact O-CB 3.25Å; C11-C15 WeakPolarHBondContact O-CB 3.35Å; C11-C15 PolarHBondContact O-N 2.9Å
12	L	52.3	Low	50.4	Low	58 Å²	58	86.7 Å²	86.7	30%	0.304	49%	0.49	S	S	.	.	H	α-helix	trans	-65	-34.2	174.8	-94.3	148	0	0	0	113.1	L4 E8 L9 P19 I22	L4-L12 HydrophobicContact CD1-CD1 4.31Å; L4-L12 HydrophobicContact CD2-CD1 4.48Å; E8-L12 WeakPolarHBondContact O-CB 3.23Å; E8-L12 PolarHBondContact O-N 3Å; L9-L12 CarbonylContact O-C 3.53Å; L9-L12 WeakPolarHBondContact O-CA 3.48Å; L9-L12 WeakPolarHBondContact O-CB 3.19Å; L9-L12 PolarHBondContact O-N 2.76Å; L12-P19 VanDerWaalsContact O-CA 3.24Å; L12-P19 WeakPolarHBondContact O-CA 3.42Å; L12-P19 VanDerWaalsContact O-CG 3.31Å; L12-P19 WeakPolarHBondContact O-CG 3.22Å; L12-I22 HydrophobicContact CD2-CD1 3.64Å; L12-I22 HydrophobicContact CD2-CG2 4.36Å
13	F	49.3	Very low	51.1	Low	52 Å²	52	80 Å²	80	23%	0.228	46%	0.458	C	S	.	.	H	α-helix	trans	-103	-21	-171.9	-75.5	-80.8	0	0	0	114.8	L9 C10 C11 P19 A23 F211	L9-F13 HydrophobicContact CB-CD2 4.28Å; L9-F13 HydrophobicContact CD2-CD2 4.17Å; L9-F13 HydrophobicContact CD2-CE2 3.69Å; L9-F13 WeakPolarHBondContact O-CB 3.39Å; L9-F13 VanDerWaalsContact O-CD2 3.22Å; L9-F13 WeakPolarHBondContact O-CD2 3.1Å; L9-F13 PolarHBondContact O-N 3.48Å; C10-F13 PolarHBondContact O-N 3.29Å; C11-F13 VanDerWaalsContact C-N 3.34Å; F13-P19 VanDerWaalsContact C-CG 3.4Å; F13-P19 HydrophobicContact CD1-CB 4.49Å; F13-P19 WeakPolarHBondContact O-CB 3.48Å; F13-P19 WeakPolarHBondContact O-CG 3.45Å; F13-A23 HydrophobicContact CE1-CB 3.74Å; F13-A23 HydrophobicContact CZ-CB 4.22Å; F13-F211 HydrophobicContact CB-CB 4.22Å; F13-F211 HydrophobicContact CB-CD2 4.15Å; F13-F211 HydrophobicContact CB-CG 4.15Å; F13-F211 HydrophobicContact CG-CD2 4.32Å
14	C	53.1	Low	51.6	Low	69 Å²	69	72.7 Å²	72.7	47%	0.466	43%	0.427	S	S	.	.	H	α-helix	trans	-116.9	-8.1	-175.2	-54.2	0	0	0	0	114.5	C10	C10-C14 WeakPolarHBondContact O-CA 3.25Å; C10-C14 WeakPolarHBondContact O-CB 3.05Å; C10-C14 PolarHBondContact O-N 3.39Å; C10-C14 PolarHBondContact O-SG 3.36Å
15	C	51	Low	51.7	Low	67 Å²	67	76 Å²	76	45%	0.453	44%	0.437	S	S	.	.	S	Bend	trans	-97.9	120.5	174.9	-65.2	0	0	0	0	111.9	C11 P19	C11-C15 VanDerWaalsContact O-CB 3.25Å; C11-C15 WeakPolarHBondContact O-CB 3.35Å; C11-C15 PolarHBondContact O-N 2.9Å; C15-P19 WeakPolarHBondContact O-CD 3.36Å
16	P	45.5	Very low	51.7	Low	122 Å²	122	78.9 Å²	78.9	79%	0.792	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	144.3	174.7	-17.4	29.1	0	0	0	111.8
17	P	45.4	Very low	52.8	Low	110 Å²	110	74.4 Å²	74.4	71%	0.714	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	cis	-116.2	20.8	13	39.8	-27.7	0	0	0	115.3
18	C	50.5	Low	54.5	Low	63 Å²	63	71 Å²	71	43%	0.426	41%	0.41	S	S	.	.	S	Bend	trans	-108.8	-8.4	-163.1	-72	0	0	0	0	121.2	S20 K21 I22	C18-S20 PolarHBondContact O-N 2.86Å; C18-K21 PolarHBondContact O-N 3.1Å; C18-I22 HydrophobicContact CB-CD1 4.17Å
19	P	49.3	Very low	56.4	Low	30 Å²	30	71.6 Å²	71.6	20%	0.195	42%	0.415	C	S	.	.	H	α-helix	trans	-55.4	-54.9	-172.8	-31.5	35.6	0	0	0	116.2	L12 F13 C15 K21 I22 A23	L12-P19 VanDerWaalsContact O-CA 3.24Å; L12-P19 WeakPolarHBondContact O-CA 3.42Å; L12-P19 VanDerWaalsContact O-CG 3.31Å; L12-P19 WeakPolarHBondContact O-CG 3.22Å; F13-P19 VanDerWaalsContact C-CG 3.4Å; F13-P19 HydrophobicContact CD1-CB 4.49Å; F13-P19 WeakPolarHBondContact O-CB 3.48Å; F13-P19 WeakPolarHBondContact O-CG 3.45Å; C15-P19 WeakPolarHBondContact O-CD 3.36Å; P19-K21 VanDerWaalsContact C-N 3.27Å; P19-K21 PolarHBondContact O-N 2.99Å; P19-I22 PolarHBondContact O-N 3.36Å; P19-A23 PolarHBondContact O-N 3.12Å
20	S	49.6	Very low	58.2	Low	93 Å²	93	73.2 Å²	73.2	65%	0.65	43%	0.427	S	S	*	.	H	α-helix	trans	-71.8	-23.5	-169.5	67.7	0	0	0	0	113	C18 S24	C18-S20 PolarHBondContact O-N 2.86Å; S20-S24 WeakPolarHBondContact O-CB 3.29Å; S20-S24 PolarHBondContact O-N 3.01Å; S20-S24 PolarHBondContact O-OG 3.45Å
21	K	47.6	Very low	60.1	Low	145 Å²	145	72.5 Å²	72.5	63%	0.63	42%	0.422	S	S	*	.	H	α-helix	trans	-80.7	-29	-178.8	-74.5	-179.5	-179.5	170.9	0	112.9	C18 P19 S24 K25	C18-K21 PolarHBondContact O-N 3.1Å; P19-K21 VanDerWaalsContact C-N 3.27Å; P19-K21 PolarHBondContact O-N 2.99Å; K21-S24 WeakPolarHBondContact CA-OG 3.37Å; K21-S24 PolarHBondContact O-OG 3.12Å; K21-S24 VanDerWaalsContact O-OG 3.06Å; K21-K25 WeakPolarHBondContact O-CG 3.44Å; K21-K25 PolarHBondContact O-N 3.36Å
22	I	47	Very low	62	Low	69 Å²	69	75.3 Å²	75.3	35%	0.354	43%	0.428	S	S	.	.	H	α-helix	trans	-83.1	-47.7	179.9	-63.3	171	0	0	0	109.1	L12 C18 P19 S24 K25 L26	L12-I22 HydrophobicContact CD2-CD1 3.64Å; L12-I22 HydrophobicContact CD2-CG2 4.36Å; C18-I22 HydrophobicContact CB-CD1 4.17Å; P19-I22 PolarHBondContact O-N 3.36Å; I22-S24 VanDerWaalsContact C-N 3.31Å; I22-S24 PolarHBondContact O-N 3.39Å; I22-K25 PolarHBondContact O-N 2.97Å; I22-L26 HydrophobicContact CG2-CD1 4.06Å; I22-L26 PolarHBondContact O-N 3.13Å
23	A	51.1	Low	64.2	Low	26 Å²	26	76.1 Å²	76.1	22%	0.215	44%	0.436	C	S	.	.	H	α-helix	trans	-59.2	-41	174.7	0	0	0	0	0	112.2	F13 P19 K25 L26 A27	F13-A23 HydrophobicContact CE1-CB 3.74Å; F13-A23 HydrophobicContact CZ-CB 4.22Å; P19-A23 PolarHBondContact O-N 3.12Å; A23-K25 VanDerWaalsContact C-N 3.32Å; A23-K25 PolarHBondContact O-N 3.07Å; A23-L26 PolarHBondContact O-N 3.22Å; A23-A27 VanDerWaalsContact O-CB 3.26Å; A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 3.29Å
24	S	55.9	Low	66.5	Low	26 Å²	26	73.8 Å²	73.8	18%	0.182	43%	0.426	C	S	.	.	H	α-helix	trans	-64.5	-34.6	174.6	66.4	0	0	0	0	113	S20 K21 I22 L26 F28	S20-S24 WeakPolarHBondContact O-CB 3.29Å; S20-S24 PolarHBondContact O-N 3.01Å; S20-S24 PolarHBondContact O-OG 3.45Å; K21-S24 WeakPolarHBondContact CA-OG 3.37Å; K21-S24 PolarHBondContact O-OG 3.12Å; K21-S24 VanDerWaalsContact O-OG 3.06Å; I22-S24 VanDerWaalsContact C-N 3.31Å; I22-S24 PolarHBondContact O-N 3.39Å; S24-L26 VanDerWaalsContact C-N 3.35Å; S24-F28 WeakPolarHBondContact O-CB 3.5Å; S24-F28 VanDerWaalsContact O-CD2 3.31Å; S24-F28 WeakPolarHBondContact O-CD2 3.23Å; S24-F28 PolarHBondContact O-N 2.71Å; S24-F28 VanDerWaalsContact O-N 3.11Å
25	K	56.7	Low	68.6	Low	165 Å²	165	71 Å²	71	72%	0.717	41%	0.406	S	S	*	.	H	α-helix	trans	-73.7	-26.7	178.4	-84.5	-176	175.1	-167.8	0	113.2	K21 I22 A23	K21-K25 WeakPolarHBondContact O-CG 3.44Å; K21-K25 PolarHBondContact O-N 3.36Å; I22-K25 PolarHBondContact O-N 2.97Å; A23-K25 VanDerWaalsContact C-N 3.32Å; A23-K25 PolarHBondContact O-N 3.07Å
26	L	60.3	Low	70.8	Confident	136 Å²	136	70.6 Å²	70.6	71%	0.712	40%	0.404	S	S	*	.	H	α-helix	trans	-87.4	-32.8	178.2	-67.5	171.4	0	0	0	111.9	I22 A23 S24	I22-L26 HydrophobicContact CG2-CD1 4.06Å; I22-L26 PolarHBondContact O-N 3.13Å; A23-L26 PolarHBondContact O-N 3.22Å; S24-L26 VanDerWaalsContact C-N 3.35Å
27	A	75.6	Confident	73.2	Confident	27 Å²	27	66 Å²	66	22%	0.223	37%	0.372	C	S	.	.	H	α-helix	trans	-83.4	-30.7	-179.3	0	0	0	0	0	113.8	A23 N100 I171 F214	A23-A27 VanDerWaalsContact O-CB 3.26Å; A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 3.29Å; A27-N100 PolarHBondContact O-ND2 2.71Å; A27-I171 WeakPolarHBondContact O-CD1 3.29Å; A27-F214 HydrophobicContact CB-CE2 3.86Å; A27-F214 HydrophobicContact CB-CZ 4.17Å
28	F	88.9	Confident	75.4	Confident	9 Å²	9	65.6 Å²	65.6	4%	0.039	36%	0.362	C	S	.	.			trans	-114	120	-176.7	-60.8	-75.9	0	0	0	110.9	S24 P30 Y130 P137 L142 I171 F214	S24-F28 WeakPolarHBondContact O-CB 3.5Å; S24-F28 VanDerWaalsContact O-CD2 3.31Å; S24-F28 WeakPolarHBondContact O-CD2 3.23Å; S24-F28 PolarHBondContact O-N 2.71Å; S24-F28 VanDerWaalsContact O-N 3.11Å; F28-P30 VanDerWaalsContact C-CD 3.46Å; F28-P30 WeakPolarHBondContact O-CD 3.17Å; F28-Y130 WeakPolarHBondContact CA-OH 3.3Å; F28-Y130 HydrophobicContact CB-CE2 4.2Å; F28-Y130 WeakPolarHBondContact CB-OH 3.35Å; F28-Y130 HydrophobicContact CD1-CE2 4.21Å; F28-P137 HydrophobicContact CB-CB 3.36Å; F28-P137 HydrophobicContact CB-CG 3.93Å; F28-P137 HydrophobicContact CD1-CB 3.88Å; F28-P137 HydrophobicContact CD2-CB 3.55Å; F28-P137 HydrophobicContact CE2-CB 4.29Å; F28-P137 HydrophobicContact CG-CB 3.32Å; F28-P137 HydrophobicContact CG-CG 4.37Å; F28-L142 HydrophobicContact CE1-CD1 4.33Å; F28-L142 HydrophobicContact CE1-CD2 4.14Å; F28-L142 HydrophobicContact CZ-CD2 4.12Å; F28-I171 HydrophobicContact CD1-CD1 3.7Å; F28-I171 HydrophobicContact CE1-CD1 3.45Å; F28-I171 VanDerWaalsContact CE1-CD1 3.45Å; F28-I171 HydrophobicContact CE1-CG1 4.35Å; F28-I171 HydrophobicContact CZ-CD1 4.12Å; F28-F214 HydrophobicContact CE2-CE1 4.36Å; F28-F214 AromaticContact CE2-CZ 3.79Å; F28-F214 HydrophobicContact CE2-CZ 3.79Å; F28-F214 AromaticContact CZ-CE1 3.9Å; F28-F214 HydrophobicContact CZ-CE1 3.9Å; F28-F214 AromaticContact CZ-CZ 3.59Å; F28-F214 HydrophobicContact CZ-CZ 3.59Å
29	L	92.2	Very high	77.3	Confident	100 Å²	100	65 Å²	65	52%	0.524	36%	0.358	S	S	.	.			trans	-121.4	71.2	179.3	-61.8	173.7	0	0	0	108.5	N100 A101 Y130	L29-N100 PolarHBondContact N-OD1 3.28Å; L29-A101 HydrophobicContact CB-CB 4.49Å; L29-A101 WeakPolarHBondContact O-CA 3.46Å; L29-A101 PolarHBondContact O-N 3.41Å; L29-Y130 PolarHBondContact N-OH 2.86Å; L29-Y130 VanDerWaalsContact N-OH 3.12Å
30	P	93.1	Very high	79.1	Confident	53 Å²	53	66.5 Å²	66.5	34%	0.344	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-59.3	131.5	175	24.7	-32.5	0	0	0	110.1	F28 G129 Y130 P137	F28-P30 VanDerWaalsContact C-CD 3.46Å; F28-P30 WeakPolarHBondContact O-CD 3.17Å; P30-G129 WeakPolarHBondContact CB-O 3.39Å; P30-Y130 HydrophobicContact CB-CD1 3.94Å; P30-Y130 HydrophobicContact CB-CD2 3.78Å; P30-Y130 HydrophobicContact CB-CE1 4.02Å; P30-Y130 HydrophobicContact CB-CE2 3.84Å; P30-Y130 HydrophobicContact CB-CG 3.81Å; P30-Y130 HydrophobicContact CG-CE2 4.28Å; P30-P137 HydrophobicContact CG-CG 4.34Å
31	P	93.5	Very high	80.6	Confident	31 Å²	31	72.2 Å²	72.2	20%	0.201	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-71.4	168.7	176	32.3	-35.5	0	0	0	110.7	D103	P31-D103 HydrophobicContact CG-CB 4.07Å
32	E	95.3	Very high	82.2	Confident	131 Å²	131	69.8 Å²	69.8	61%	0.612	38%	0.382	S	S	*	.	S	Bend	trans	-60.2	129.4	161.7	-69.5	-168	168.5	0	0	108.5	T34 R53	E32-T34 PolarHBondContact O-N 3.18Å; E32-R53 IonicContact OE2-CZ 3.39Å; E32-R53 IonicContact OE2-NH1 2.62Å; E32-R53 PolarHBondContact OE2-NH1 2.85Å; E32-R53 IonicContact OE2-NH2 3.3Å; E32-R53 PolarHBondContact OE2-NH2 2.89Å
33	P	96.9	Very high	83.5	Confident	74 Å²	74	68.9 Å²	68.9	48%	0.481	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-54	128.4	-173.9	-28.9	35.3	0	0	0	112.4	D103	P33-D103 WeakPolarHBondContact CA-OD2 3.45Å
34	T	97.8	Very high	84.7	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.018	41%	0.407	C	S	.	.	S	Bend	trans	-96.5	-1.5	179.4	76.7	0	0	0	0	112.6	E32 S51 R53 D103 G105 Q106	E32-T34 PolarHBondContact O-N 3.18Å; T34-S51 WeakPolarHBondContact CA-OG 3.39Å; T34-S51 VanDerWaalsContact O-CB 3.29Å; T34-S51 WeakPolarHBondContact O-CB 3.23Å; T34-S51 PolarHBondContact O-N 3.28Å; T34-S51 PolarHBondContact O-OG 2.95Å; T34-R53 HydrophobicContact CG2-CB 4.03Å; T34-D103 PolarHBondContact N-OD2 3.47Å; T34-D103 PolarHBondContact OG1-OD1 3.26Å; T34-D103 PolarHBondContact OG1-OD2 3.08Å; T34-G105 WeakPolarHBondContact OG1-CA 3.32Å; T34-Q106 HydrophobicContact CG2-CG 3.44Å; T34-Q106 VanDerWaalsContact CG2-CG 3.44Å; T34-Q106 PolarHBondContact OG1-N 3.48Å
35	Y	97.9	Very high	86.1	Confident	11 Å²	11	77.6 Å²	77.6	4%	0.043	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	166.1	176.1	77.5	-75	0	0	0	112	L37 L48 H49 A80 D103 L104 G105 D126 A132	Y35-L37 HydrophobicContact CD2-CD2 3.99Å; Y35-L37 HydrophobicContact CD2-CG 4.1Å; Y35-L37 HydrophobicContact CE2-CD1 4.09Å; Y35-L37 HydrophobicContact CE2-CD2 3.93Å; Y35-L37 HydrophobicContact CE2-CG 3.72Å; Y35-L48 HydrophobicContact CD2-CD1 3.53Å; Y35-L48 HydrophobicContact CE2-CD1 4.42Å; Y35-L48 HydrophobicContact CG-CD1 4.07Å; Y35-H49 CarbonylContact C-O 3.48Å; Y35-H49 WeakPolarHBondContact CA-O 3.24Å; Y35-H49 WeakPolarHBondContact CB-O 3.46Å; Y35-A80 HydrophobicContact CE2-CB 4.47Å; Y35-A80 WeakPolarHBondContact OH-CB 3.47Å; Y35-D103 WeakPolarHBondContact CD1-OD2 3.47Å; Y35-D103 HydrophobicContact CE1-CB 4.16Å; Y35-L104 HydrophobicContact CE1-CB 3.85Å; Y35-G105 VanDerWaalsContact CD1-N 3.33Å; Y35-D126 WeakPolarHBondContact CE1-OD2 3.37Å; Y35-D126 PolarHBondContact OH-OD2 3.2Å; Y35-A132 HydrophobicContact CE2-CB 3.81Å; Y35-A132 PolarHBondContact OH-N 3.02Å
36	S	96.9	Very high	87.8	Confident	58 Å²	58	73.2 Å²	73.2	41%	0.406	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153.1	169	58.9	0	0	0	0	110.8	H49	S36-H49 PolarHBondContact N-O 3.22Å; S36-H49 PolarHBondContact O-N 3.19Å
37	L	95.4	Very high	89.3	Confident	25 Å²	25	69.6 Å²	69.6	13%	0.131	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.9	175.5	-60	-178.7	0	0	0	109.3	Y35 W46 L48 C68 M70 A80 A132	Y35-L37 HydrophobicContact CD2-CD2 3.99Å; Y35-L37 HydrophobicContact CD2-CG 4.1Å; Y35-L37 HydrophobicContact CE2-CD1 4.09Å; Y35-L37 HydrophobicContact CE2-CD2 3.93Å; Y35-L37 HydrophobicContact CE2-CG 3.72Å; L37-W46 HydrophobicContact CB-CE3 3.85Å; L37-W46 HydrophobicContact CB-CZ3 4.23Å; L37-L48 HydrophobicContact CD2-CB 4.28Å; L37-L48 HydrophobicContact CD2-CD1 3.82Å; L37-C68 HydrophobicContact CD1-CB 4.06Å; L37-C68 HydrophobicContact CD2-CB 3.44Å; L37-C68 VanDerWaalsContact CD2-CB 3.44Å; L37-C68 HydrophobicContact CG-CB 4.42Å; L37-M70 HydrophobicContact CD1-SD 3.78Å; L37-A80 HydrophobicContact CD1-CB 3.86Å; L37-A132 HydrophobicContact CD1-CB 4.43Å; L37-A132 HydrophobicContact CG-CB 4.32Å
38	M	91.3	Very high	90.2	Very high	102 Å²	102	69 Å²	69	50%	0.502	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.5	173.8	-65.5	-163.4	-77	0	0	109.2	W46 T47 H49	M38-W46 CarbonylContact O-C 3.46Å; M38-W46 WeakPolarHBondContact O-CA 3.12Å; M38-T47 PolarHBondContact N-O 2.78Å; M38-T47 VanDerWaalsContact N-O 3.08Å; M38-T47 PolarHBondContact O-N 2.98Å; M38-H49 WeakPolarHBondContact CE-CD2 3.29Å; M38-H49 VanDerWaalsContact CE-CE1 3.48Å; M38-H49 WeakPolarHBondContact CE-CE1 3.19Å; M38-H49 WeakPolarHBondContact CE-NE2 3.27Å
39	C	90.4	Very high	90.6	Very high	50 Å²	50	72 Å²	72	34%	0.338	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140	172.6	-154.9	0	0	0	0	109	G43 R45 W46	C39-G43 WeakPolarHBondContact SG-CA 3.29Å; C39-R45 CarbonylContact C-O 3.54Å; C39-R45 WeakPolarHBondContact CA-O 3.21Å; C39-W46 HydrophobicContact CB-CD2 3.96Å; C39-W46 HydrophobicContact CB-CE3 3.72Å; C39-W46 HydrophobicContact CB-CH2 3.77Å; C39-W46 HydrophobicContact CB-CZ2 3.98Å; C39-W46 HydrophobicContact CB-CZ3 3.64Å; C39-W46 VanDerWaalsContact SG-CE2 3.56Å
40	D	86.8	Confident	90.7	Very high	62 Å²	62	69 Å²	69	33%	0.332	38%	0.384	S	S	.	.			trans	-66.4	165.9	172.2	73.2	-23.8	0	0	0	111.6	S42 G43 G44 R45	D40-S42 PolarHBondContact O-N 3.21Å; D40-S42 VanDerWaalsContact O-N 3.08Å; D40-S42 PolarHBondContact OD1-OG 2.8Å; D40-S42 VanDerWaalsContact OD1-OG 3.05Å; D40-S42 PolarHBondContact OD2-OG 3.18Å; D40-G43 PolarHBondContact O-N 3.23Å; D40-G43 PolarHBondContact OD1-N 2.96Å; D40-G43 VanDerWaalsContact OD1-N 3.1Å; D40-G44 PolarHBondContact OD1-N 2.97Å; D40-R45 HydrophobicContact CB-CB 4.37Å; D40-R45 PolarHBondContact N-O 2.97Å; D40-R45 PolarHBondContact OD1-N 2.73Å
41	E	82.3	Confident	90.8	Very high	214 Å²	214	68.8 Å²	68.8	100%	1	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.5	-178.8	-62.9	-176.7	169.1	0	0	112.8	G43	E41-G43 VanDerWaalsContact C-N 3.33Å
42	S	80.8	Confident	90.7	Very high	94 Å²	94	76.5 Å²	76.5	66%	0.657	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-15.2	177.5	84	0	0	0	0	113.8	D40 G44	D40-S42 PolarHBondContact O-N 3.21Å; D40-S42 VanDerWaalsContact O-N 3.08Å; D40-S42 PolarHBondContact OD1-OG 2.8Å; D40-S42 VanDerWaalsContact OD1-OG 3.05Å; D40-S42 PolarHBondContact OD2-OG 3.18Å; S42-G44 PolarHBondContact O-N 3.01Å; S42-G44 PolarHBondContact OG-N 3.1Å
43	G	74	Confident	90.6	Very high	50 Å²	50	77.5 Å²	77.5	52%	0.515	42%	0.416	S	S	.	.	S	Bend	trans	76.2	4.1	-175.6	0	0	0	0	0	114.3	C39 D40 E41	C39-G43 WeakPolarHBondContact SG-CA 3.29Å; D40-G43 PolarHBondContact O-N 3.23Å; D40-G43 PolarHBondContact OD1-N 2.96Å; D40-G43 VanDerWaalsContact OD1-N 3.1Å; E41-G43 VanDerWaalsContact C-N 3.33Å
44	G	76.8	Confident	90.4	Very high	55 Å²	55	74 Å²	74	57%	0.567	39%	0.393	S	S	*	.	S	Bend	trans	-101.2	-27.3	-168.8	0	0	0	0	0	114.4	D40 S42	D40-G44 PolarHBondContact OD1-N 2.97Å; S42-G44 PolarHBondContact O-N 3.01Å; S42-G44 PolarHBondContact OG-N 3.1Å
45	R	84.9	Confident	90.1	Very high	179 Å²	179	78.9 Å²	78.9	68%	0.675	42%	0.419	S	S	*	.			trans	-120.7	132.6	-177.2	-172.3	177.5	178.5	179.3	0.2	110.7	C39 D40	C39-R45 CarbonylContact C-O 3.54Å; C39-R45 WeakPolarHBondContact CA-O 3.21Å; D40-R45 HydrophobicContact CB-CB 4.37Å; D40-R45 PolarHBondContact N-O 2.97Å; D40-R45 PolarHBondContact OD1-N 2.73Å
46	W	92.4	Very high	89.9	Confident	74 Å²	74	81.3 Å²	81.3	28%	0.28	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.8	174.6	-64.9	86.9	0	0	0	110	L37 M38 C39 C68 F69 M70	L37-W46 HydrophobicContact CB-CE3 3.85Å; L37-W46 HydrophobicContact CB-CZ3 4.23Å; M38-W46 CarbonylContact O-C 3.46Å; M38-W46 WeakPolarHBondContact O-CA 3.12Å; C39-W46 HydrophobicContact CB-CD2 3.96Å; C39-W46 HydrophobicContact CB-CE3 3.72Å; C39-W46 HydrophobicContact CB-CH2 3.77Å; C39-W46 HydrophobicContact CB-CZ2 3.98Å; C39-W46 HydrophobicContact CB-CZ3 3.64Å; C39-W46 VanDerWaalsContact SG-CE2 3.56Å; W46-C68 WeakPolarHBondContact CB-O 3.27Å; W46-F69 HydrophobicContact CG-CB 4.28Å; W46-M70 HydrophobicContact CE3-CG 4.29Å; W46-M70 HydrophobicContact CH2-CB 4Å; W46-M70 HydrophobicContact CH2-CG 3.39Å; W46-M70 HydrophobicContact CZ2-CB 3.9Å; W46-M70 HydrophobicContact CZ2-CG 3.76Å; W46-M70 HydrophobicContact CZ3-CG 3.68Å
47	T	92.2	Very high	89.6	Confident	60 Å²	60	85.1 Å²	85.1	37%	0.368	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.3	176.5	-52.7	0	0	0	0	109.4	M38 H49	M38-T47 PolarHBondContact N-O 2.78Å; M38-T47 VanDerWaalsContact N-O 3.08Å; M38-T47 PolarHBondContact O-N 2.98Å; T47-H49 WeakPolarHBondContact CG2-NE2 3.31Å; T47-H49 PolarHBondContact O-CD2 3.34Å
48	L	95.6	Very high	89.4	Confident	13 Å²	13	87.3 Å²	87.3	7%	0.068	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.6	175.9	174.3	63.7	0	0	0	110.8	Y35 L37 L50 K63 I66 M82	Y35-L48 HydrophobicContact CD2-CD1 3.53Å; Y35-L48 HydrophobicContact CE2-CD1 4.42Å; Y35-L48 HydrophobicContact CG-CD1 4.07Å; L37-L48 HydrophobicContact CD2-CB 4.28Å; L37-L48 HydrophobicContact CD2-CD1 3.82Å; L48-L50 HydrophobicContact CD1-CD2 3.92Å; L48-L50 HydrophobicContact CD2-CD2 4.1Å; L48-L50 HydrophobicContact CD2-CG 4.28Å; L48-L50 HydrophobicContact CG-CD2 4.09Å; L48-L50 HydrophobicContact CG-CG 4.22Å; L48-K63 WeakPolarHBondContact O-CE 3.42Å; L48-K63 PolarHBondContact O-NZ 2.87Å; L48-I66 HydrophobicContact CD2-CB 4.42Å; L48-I66 HydrophobicContact CD2-CD1 4.39Å; L48-I66 HydrophobicContact CD2-CG2 3.8Å; L48-M82 HydrophobicContact CD2-CE 3.98Å
49	H	95.5	Very high	89.3	Confident	72 Å²	72	85.4 Å²	85.4	33%	0.333	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	112.4	171.1	-65.4	-90	0	0	0	109.3	Y35 S36 M38 T47	Y35-H49 CarbonylContact C-O 3.48Å; Y35-H49 WeakPolarHBondContact CA-O 3.24Å; Y35-H49 WeakPolarHBondContact CB-O 3.46Å; S36-H49 PolarHBondContact N-O 3.22Å; S36-H49 PolarHBondContact O-N 3.19Å; M38-H49 WeakPolarHBondContact CE-CD2 3.29Å; M38-H49 VanDerWaalsContact CE-CE1 3.48Å; M38-H49 WeakPolarHBondContact CE-CE1 3.19Å; M38-H49 WeakPolarHBondContact CE-NE2 3.27Å; T47-H49 WeakPolarHBondContact CG2-NE2 3.31Å; T47-H49 PolarHBondContact O-CD2 3.34Å
50	L	96	Very high	89	Confident	38 Å²	38	86.8 Å²	86.8	20%	0.199	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	136	174.9	-62.1	177.5	0	0	0	108.7	L48 A54 W56	L48-L50 HydrophobicContact CD1-CD2 3.92Å; L48-L50 HydrophobicContact CD2-CD2 4.1Å; L48-L50 HydrophobicContact CD2-CG 4.28Å; L48-L50 HydrophobicContact CG-CD2 4.09Å; L48-L50 HydrophobicContact CG-CG 4.22Å; L50-A54 HydrophobicContact CB-CB 4.04Å; L50-A54 HydrophobicContact CD2-CB 4.1Å; L50-A54 HydrophobicContact CG-CB 4.49Å; L50-W56 HydrophobicContact CD1-CB 3.98Å; L50-W56 HydrophobicContact CD1-CD2 3.73Å; L50-W56 HydrophobicContact CD1-CE3 3.65Å; L50-W56 HydrophobicContact CD1-CG 3.9Å; L50-W56 HydrophobicContact CD1-CZ3 4.33Å
51	S	94.8	Very high	89	Confident	49 Å²	49	93.2 Å²	93.2	34%	0.343	48%	0.478	S	S	.	.			trans	-81.8	168.5	167.8	74.3	0	0	0	0	110.5	T34 R53 A54	T34-S51 WeakPolarHBondContact CA-OG 3.39Å; T34-S51 VanDerWaalsContact O-CB 3.29Å; T34-S51 WeakPolarHBondContact O-CB 3.23Å; T34-S51 PolarHBondContact O-N 3.28Å; T34-S51 PolarHBondContact O-OG 2.95Å; S51-R53 PolarHBondContact O-N 2.95Å; S51-R53 PolarHBondContact OG-N 3.32Å; S51-A54 VanDerWaalsContact O-CB 3.3Å; S51-A54 WeakPolarHBondContact O-CB 3.41Å; S51-A54 PolarHBondContact O-N 3.11Å; S51-A54 VanDerWaalsContact O-N 3.09Å
52	E	91.6	Very high	89.4	Confident	193 Å²	193	86.2 Å²	86.2	90%	0.902	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-58.2	-28.2	174	-63.1	-179.7	171.1	0	0	112.7	A54 D55	E52-A54 PolarHBondContact O-N 3.45Å; E52-D55 PolarHBondContact O-N 3.4Å
53	R	92.1	Very high	89.9	Confident	152 Å²	152	84.7 Å²	84.7	57%	0.574	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-74	-11.7	179.9	-57.8	-178.1	-169.1	169.4	-6.1	114	E32 T34 S51 D55	E32-R53 IonicContact OE2-CZ 3.39Å; E32-R53 IonicContact OE2-NH1 2.62Å; E32-R53 PolarHBondContact OE2-NH1 2.85Å; E32-R53 IonicContact OE2-NH2 3.3Å; E32-R53 PolarHBondContact OE2-NH2 2.89Å; T34-R53 HydrophobicContact CG2-CB 4.03Å; S51-R53 PolarHBondContact O-N 2.95Å; S51-R53 PolarHBondContact OG-N 3.32Å; R53-D55 PolarHBondContact O-N 3.27Å
54	A	93.7	Very high	90.7	Very high	1 Å²	1	89 Å²	89	1%	0.008	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-71.1	-12	173.1	0	0	0	0	0	112.1	L50 S51 E52 W56	L50-A54 HydrophobicContact CB-CB 4.04Å; L50-A54 HydrophobicContact CD2-CB 4.1Å; L50-A54 HydrophobicContact CG-CB 4.49Å; S51-A54 VanDerWaalsContact O-CB 3.3Å; S51-A54 WeakPolarHBondContact O-CB 3.41Å; S51-A54 PolarHBondContact O-N 3.11Å; S51-A54 VanDerWaalsContact O-N 3.09Å; E52-A54 PolarHBondContact O-N 3.45Å; A54-W56 VanDerWaalsContact C-N 3.34Å; A54-W56 PolarHBondContact O-N 3.28Å
55	D	90.9	Very high	91.6	Very high	105 Å²	105	88 Å²	88	56%	0.561	42%	0.424	S	S	*	.			trans	46.9	56.3	-176.9	-167.2	41.6	0	0	0	111.7	E52 R53 Q57 S109	E52-D55 PolarHBondContact O-N 3.4Å; R53-D55 PolarHBondContact O-N 3.27Å; D55-Q57 WeakPolarHBondContact O-CG 3.4Å; D55-Q57 PolarHBondContact O-N 3.47Å; D55-Q57 PolarHBondContact OD2-NE2 3.39Å; D55-S109 PolarHBondContact O-OG 3.38Å
56	W	93.2	Very high	92.1	Very high	61 Å²	61	80.3 Å²	80.3	23%	0.231	40%	0.396	C	S	.	.			trans	-73.1	117.9	-178.2	178.4	-105.5	0	0	0	110.9	L50 A54 Y58 S59 E62 K63 I66 S108 S109 I112	L50-W56 HydrophobicContact CD1-CB 3.98Å; L50-W56 HydrophobicContact CD1-CD2 3.73Å; L50-W56 HydrophobicContact CD1-CE3 3.65Å; L50-W56 HydrophobicContact CD1-CG 3.9Å; L50-W56 HydrophobicContact CD1-CZ3 4.33Å; A54-W56 VanDerWaalsContact C-N 3.34Å; A54-W56 PolarHBondContact O-N 3.28Å; W56-Y58 HydrophobicContact CH2-CD2 4.41Å; W56-Y58 HydrophobicContact CZ2-CG 4.5Å; W56-Y58 HydrophobicContact CZ3-CD2 4.42Å; W56-Y58 VanDerWaalsContact NE1-C 3.34Å; W56-Y58 PolarHBondContact NE1-O 2.83Å; W56-S59 PolarHBondContact NE1-O 2.75Å; W56-E62 HydrophobicContact CZ2-CB 4.23Å; W56-K63 HydrophobicContact CH2-CB 4.5Å; W56-K63 HydrophobicContact CZ2-CB 3.91Å; W56-K63 HydrophobicContact CZ2-CG 4.49Å; W56-I66 HydrophobicContact CH2-CD1 3.55Å; W56-I66 HydrophobicContact CZ3-CD1 3.8Å; W56-S108 VanDerWaalsContact CE3-OG 3.31Å; W56-S108 WeakPolarHBondContact CZ3-OG 3.18Å; W56-S109 WeakPolarHBondContact CA-OG 3.36Å; W56-I112 HydrophobicContact CH2-CD1 3.39Å; W56-I112 HydrophobicContact CZ2-CD1 4.31Å; W56-I112 HydrophobicContact CZ3-CD1 4.04Å
57	Q	91	Very high	92.3	Very high	138 Å²	138	79.6 Å²	79.6	65%	0.645	40%	0.396	S	S	*	.			trans	-101.6	-0.9	-170.2	-64.8	174.7	1.7	0	0	114.1	D55 S109	D55-Q57 WeakPolarHBondContact O-CG 3.4Å; D55-Q57 PolarHBondContact O-N 3.47Å; D55-Q57 PolarHBondContact OD2-NE2 3.39Å; Q57-S109 PolarHBondContact N-OG 3.49Å; Q57-S109 VanDerWaalsContact N-OG 3.16Å
58	Y	90.9	Very high	92.6	Very high	72 Å²	72	77 Å²	77	28%	0.282	38%	0.38	S	S	.	.	S	Bend	trans	-111.8	175.8	-174.9	-65.4	-86.8	0	0	0	112.5	W56 E62 S109 I112 G113	W56-Y58 HydrophobicContact CH2-CD2 4.41Å; W56-Y58 HydrophobicContact CZ2-CG 4.5Å; W56-Y58 HydrophobicContact CZ3-CD2 4.42Å; W56-Y58 VanDerWaalsContact NE1-C 3.34Å; W56-Y58 PolarHBondContact NE1-O 2.83Å; Y58-E62 HydrophobicContact CD1-CB 4.43Å; Y58-E62 HydrophobicContact CD1-CG 3.91Å; Y58-E62 HydrophobicContact CG-CB 4.27Å; Y58-E62 HydrophobicContact CG-CG 4.24Å; Y58-S109 WeakPolarHBondContact CE2-O 3.4Å; Y58-I112 HydrophobicContact CD1-CG2 4.33Å; Y58-I112 HydrophobicContact CD2-CG2 4.42Å; Y58-I112 HydrophobicContact CE1-CG2 3.94Å; Y58-I112 HydrophobicContact CE2-CB 4.1Å; Y58-I112 HydrophobicContact CE2-CG2 4.06Å; Y58-G113 VanDerWaalsContact OH-CA 3.26Å; Y58-G113 WeakPolarHBondContact OH-CA 3.42Å; Y58-G113 PolarHBondContact OH-N 3.16Å
59	S	89.1	Confident	92.7	Very high	62 Å²	62	76.9 Å²	76.9	43%	0.434	38%	0.379	S	S	.	.			trans	-81.3	174.6	176.2	87.9	0	0	0	0	111.5	W56 R61 E62	W56-S59 PolarHBondContact NE1-O 2.75Å; S59-R61 PolarHBondContact O-N 3.22Å; S59-R61 WeakPolarHBondContact OG-CB 3.37Å; S59-R61 PolarHBondContact OG-N 3.04Å; S59-R61 VanDerWaalsContact OG-N 3.13Å; S59-E62 VanDerWaalsContact CA-OE2 3.31Å; S59-E62 WeakPolarHBondContact CA-OE2 3.46Å; S59-E62 WeakPolarHBondContact CB-OE2 3.46Å; S59-E62 PolarHBondContact N-OE2 2.77Å; S59-E62 PolarHBondContact O-N 2.93Å; S59-E62 PolarHBondContact OG-OE2 3.47Å
60	A	85.6	Confident	92.7	Very high	78 Å²	78	75.4 Å²	75.4	65%	0.645	37%	0.373	S	S	*	.	H	α-helix	trans	-61.2	-26.9	172.9	0	0	0	0	0	112.6	K63 D64	A60-K63 VanDerWaalsContact O-CB 3.27Å; A60-K63 WeakPolarHBondContact O-CB 3.49Å; A60-K63 PolarHBondContact O-N 2.99Å; A60-D64 PolarHBondContact O-N 3Å
61	R	86.3	Confident	92.8	Very high	198 Å²	198	75.1 Å²	75.1	75%	0.747	37%	0.373	S	S	*	.	H	α-helix	trans	-67.5	-41.9	-179.6	-175.8	-176.8	178.4	-178.5	-0.6	112.2	S59 K63 D64	S59-R61 PolarHBondContact O-N 3.22Å; S59-R61 WeakPolarHBondContact OG-CB 3.37Å; S59-R61 PolarHBondContact OG-N 3.04Å; S59-R61 VanDerWaalsContact OG-N 3.13Å; R61-K63 PolarHBondContact O-N 3.02Å; R61-D64 WeakPolarHBondContact O-CB 3.27Å; R61-D64 PolarHBondContact O-N 3.38Å
62	E	90.7	Very high	92.9	Very high	66 Å²	66	80.2 Å²	80.2	31%	0.308	39%	0.385	S	S	.	.	H	α-helix	trans	-66.1	-27.8	176.3	-73.4	76.6	-157	0	0	111.6	W56 Y58 S59 D64 A65 I112	W56-E62 HydrophobicContact CZ2-CB 4.23Å; Y58-E62 HydrophobicContact CD1-CB 4.43Å; Y58-E62 HydrophobicContact CD1-CG 3.91Å; Y58-E62 HydrophobicContact CG-CB 4.27Å; Y58-E62 HydrophobicContact CG-CG 4.24Å; S59-E62 VanDerWaalsContact CA-OE2 3.31Å; S59-E62 WeakPolarHBondContact CA-OE2 3.46Å; S59-E62 WeakPolarHBondContact CB-OE2 3.46Å; S59-E62 PolarHBondContact N-OE2 2.77Å; S59-E62 PolarHBondContact O-N 2.93Å; S59-E62 PolarHBondContact OG-OE2 3.47Å; E62-D64 PolarHBondContact O-N 3.03Å; E62-A65 WeakPolarHBondContact O-CB 3.47Å; E62-A65 PolarHBondContact O-N 3.42Å; E62-A65 VanDerWaalsContact O-N 3.13Å; E62-I112 HydrophobicContact CB-CD1 3.95Å
63	K	90.5	Very high	93.3	Very high	63 Å²	63	71.3 Å²	71.3	27%	0.274	34%	0.343	S	S	.	.	H	α-helix	trans	-64.7	-28.5	175.4	-164.1	179.7	175.6	-173.1	0	112.4	L48 W56 A60 R61 A65 I66	L48-K63 WeakPolarHBondContact O-CE 3.42Å; L48-K63 PolarHBondContact O-NZ 2.87Å; W56-K63 HydrophobicContact CH2-CB 4.5Å; W56-K63 HydrophobicContact CZ2-CB 3.91Å; W56-K63 HydrophobicContact CZ2-CG 4.49Å; A60-K63 VanDerWaalsContact O-CB 3.27Å; A60-K63 WeakPolarHBondContact O-CB 3.49Å; A60-K63 PolarHBondContact O-N 2.99Å; R61-K63 PolarHBondContact O-N 3.02Å; K63-A65 PolarHBondContact O-N 2.73Å; K63-I66 WeakPolarHBondContact O-CB 3.49Å; K63-I66 PolarHBondContact O-N 2.81Å
64	D	92	Very high	93.6	Very high	140 Å²	140	69.2 Å²	69.2	75%	0.749	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.3	175.9	-64.7	-30.3	0	0	0	112.9	A60 R61 E62 I66	A60-D64 PolarHBondContact O-N 3Å; R61-D64 WeakPolarHBondContact O-CB 3.27Å; R61-D64 PolarHBondContact O-N 3.38Å; E62-D64 PolarHBondContact O-N 3.03Å; D64-I66 PolarHBondContact O-N 2.88Å
65	A	94.3	Very high	93.8	Very high	33 Å²	33	75.8 Å²	75.8	27%	0.273	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-6.9	173.2	0	0	0	0	0	113.2	E62 K63 V84 R85	E62-A65 WeakPolarHBondContact O-CB 3.47Å; E62-A65 PolarHBondContact O-N 3.42Å; E62-A65 VanDerWaalsContact O-N 3.13Å; K63-A65 PolarHBondContact O-N 2.73Å; A65-V84 WeakPolarHBondContact O-CA 3.27Å; A65-R85 PolarHBondContact O-N 3.42Å
66	I	96.6	Very high	94.1	Very high	18 Å²	18	72.4 Å²	72.4	9%	0.092	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.8	-178.4	-57.6	170.9	0	0	0	109.9	L48 W56 K63 D64 M82 V84 I112	L48-I66 HydrophobicContact CD2-CB 4.42Å; L48-I66 HydrophobicContact CD2-CD1 4.39Å; L48-I66 HydrophobicContact CD2-CG2 3.8Å; W56-I66 HydrophobicContact CH2-CD1 3.55Å; W56-I66 HydrophobicContact CZ3-CD1 3.8Å; K63-I66 WeakPolarHBondContact O-CB 3.49Å; K63-I66 PolarHBondContact O-N 2.81Å; D64-I66 PolarHBondContact O-N 2.88Å; I66-M82 HydrophobicContact CG2-CE 4Å; I66-M82 HydrophobicContact CG2-CG 3.52Å; I66-M82 HydrophobicContact CG2-SD 3.89Å; I66-V84 HydrophobicContact CG1-CG1 4.14Å; I66-V84 HydrophobicContact CG1-CG2 4.18Å; I66-I112 HydrophobicContact CD1-CD1 4.07Å; I66-I112 HydrophobicContact CG1-CD1 4.31Å
67	E	96.6	Very high	94.4	Very high	59 Å²	59	70.7 Å²	70.7	28%	0.276	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.2	168.5	-171.9	-170.1	149.7	0	0	109.2	M82 F83 R156 Y157	E67-M82 CarbonylContact O-C 3.58Å; E67-M82 WeakPolarHBondContact O-CA 3.31Å; E67-F83 PolarHBondContact N-O 3.45Å; E67-F83 PolarHBondContact O-N 2.94Å; E67-R156 IonicContact OE1-CZ 2.87Å; E67-R156 IonicContact OE1-NE 3.42Å; E67-R156 PolarHBondContact OE1-NE 2.93Å; E67-R156 IonicContact OE1-NH2 3.48Å; E67-R156 PolarHBondContact OE1-NH2 3.24Å; E67-Y157 PolarHBondContact OE1-OH 3.47Å; E67-Y157 WeakPolarHBondContact OE2-CE1 3.48Å; E67-Y157 PolarHBondContact OE2-OH 3.28Å
68	C	97.4	Very high	94.7	Very high	5 Å²	5	71 Å²	71	3%	0.034	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	156.3	172.5	-64.7	0	0	0	0	110.9	L37 W46 C81	L37-C68 HydrophobicContact CD1-CB 4.06Å; L37-C68 HydrophobicContact CD2-CB 3.44Å; L37-C68 VanDerWaalsContact CD2-CB 3.44Å; L37-C68 HydrophobicContact CG-CB 4.42Å; W46-C68 WeakPolarHBondContact CB-O 3.27Å; C68-C81 CarbonylContact C-O 3.52Å; C68-C81 WeakPolarHBondContact CA-O 3.38Å
69	F	97.1	Very high	95.1	Very high	12 Å²	12	67.6 Å²	67.6	5%	0.053	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	170.6	169.8	62.5	-80	0	0	0	110.4	W46 C81 F123 A152 Y157	W46-F69 HydrophobicContact CG-CB 4.28Å; F69-C81 HydrophobicContact CD1-CB 4.17Å; F69-C81 HydrophobicContact CD2-CB 4.42Å; F69-C81 HydrophobicContact CE1-CB 3.69Å; F69-C81 HydrophobicContact CE2-CB 3.98Å; F69-C81 HydrophobicContact CG-CB 4.5Å; F69-C81 HydrophobicContact CZ-CB 3.58Å; F69-C81 PolarHBondContact N-O 3.22Å; F69-C81 PolarHBondContact O-N 3.12Å; F69-F123 AromaticContact CE1-CE2 3.84Å; F69-F123 HydrophobicContact CE1-CE2 3.84Å; F69-F123 HydrophobicContact CE1-CZ 4.25Å; F69-F123 AromaticContact CZ-CE2 3.86Å; F69-F123 HydrophobicContact CZ-CE2 3.86Å; F69-F123 AromaticContact CZ-CZ 3.87Å; F69-F123 HydrophobicContact CZ-CZ 3.87Å; F69-A152 HydrophobicContact CE2-CB 3.92Å; F69-A152 HydrophobicContact CZ-CB 3.86Å; F69-Y157 AromaticContact CE1-CE2 3.88Å; F69-Y157 HydrophobicContact CE1-CE2 3.88Å; F69-Y157 AromaticContact CE1-CZ 3.99Å; F69-Y157 WeakPolarHBondContact CE1-OH 3.43Å; F69-Y157 HydrophobicContact CZ-CE2 4.19Å
70	M	97.3	Very high	95.5	Very high	40 Å²	40	64.7 Å²	64.7	20%	0.197	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.4	172.7	-58.8	-63.1	-69.4	0	0	110.6	L37 W46 R78 I79 A80 A132	L37-M70 HydrophobicContact CD1-SD 3.78Å; W46-M70 HydrophobicContact CE3-CG 4.29Å; W46-M70 HydrophobicContact CH2-CB 4Å; W46-M70 HydrophobicContact CH2-CG 3.39Å; W46-M70 HydrophobicContact CZ2-CB 3.9Å; W46-M70 HydrophobicContact CZ2-CG 3.76Å; W46-M70 HydrophobicContact CZ3-CG 3.68Å; M70-R78 HydrophobicContact CE-CB 3.9Å; M70-I79 CarbonylContact C-O 3.49Å; M70-I79 VanDerWaalsContact CA-O 3.28Å; M70-I79 WeakPolarHBondContact CA-O 3.4Å; M70-A80 HydrophobicContact CE-CB 4.38Å; M70-A80 WeakPolarHBondContact SD-CA 3.33Å; M70-A80 HydrophobicContact SD-CB 3.67Å; M70-A132 WeakPolarHBondContact CE-O 3.37Å
71	T	96.9	Very high	96.1	Very high	33 Å²	33	61 Å²	61	20%	0.202	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.8	170.1	-169.2	0	0	0	0	111.4	R78 I79 A148	T71-R78 CarbonylContact O-C 3.58Å; T71-R78 VanDerWaalsContact O-CA 3.29Å; T71-R78 WeakPolarHBondContact O-CA 3.49Å; T71-I79 HydrophobicContact CG2-CD1 3.96Å; T71-I79 HydrophobicContact CG2-CG1 3.54Å; T71-I79 PolarHBondContact N-O 2.94Å; T71-I79 PolarHBondContact O-N 3.44Å; T71-A148 HydrophobicContact CG2-CB 3.99Å
72	R	98.1	Very high	96.7	Very high	156 Å²	156	51.5 Å²	51.5	59%	0.589	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.5	-179.9	179.8	179.1	-92.6	-78.1	1.6	109.9	G76 N77	R72-G76 VanDerWaalsContact NH1-C 3.34Å; R72-G76 PolarHBondContact NH1-O 2.89Å; R72-N77 CarbonylContact C-O 3.59Å; R72-N77 WeakPolarHBondContact CA-O 3.45Å
73	T	98.7	Very high	97.1	Very high	6 Å²	6	48.5 Å²	48.5	4%	0.037	24%	0.243	C	C	.	.			trans	-89	160.2	176.9	77.6	0	0	0	0	111.4	R75 G76 N77 I79 D145 A148	T73-R75 PolarHBondContact O-N 2.92Å; T73-R75 VanDerWaalsContact O-N 3.1Å; T73-R75 PolarHBondContact OG1-N 3.5Å; T73-G76 PolarHBondContact O-N 2.91Å; T73-N77 HydrophobicContact CG2-CB 4.48Å; T73-N77 PolarHBondContact N-O 3.44Å; T73-N77 PolarHBondContact OG1-N 3.45Å; T73-I79 HydrophobicContact CG2-CD1 4.11Å; T73-I79 HydrophobicContact CG2-CG1 4.06Å; T73-I79 HydrophobicContact CG2-CG2 3.81Å; T73-D145 WeakPolarHBondContact CG2-OD1 3.5Å; T73-A148 HydrophobicContact CG2-CB 3.9Å
74	S	98.3	Very high	97.5	Very high	107 Å²	107	45.5 Å²	45.5	75%	0.748	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.6	175.8	60.6	0	0	0	0	113.1	G76	S74-G76 VanDerWaalsContact C-N 3.35Å
75	R	97.8	Very high	97.7	Very high	139 Å²	139	44.9 Å²	44.9	53%	0.525	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	4.9	176.6	-62.7	-169	63.1	72.1	11.8	113.7	T73 K140 N141 A144	T73-R75 PolarHBondContact O-N 2.92Å; T73-R75 VanDerWaalsContact O-N 3.1Å; T73-R75 PolarHBondContact OG1-N 3.5Å; R75-K140 WeakPolarHBondContact CD-O 3.21Å; R75-N141 WeakPolarHBondContact CD-OD1 3.22Å; R75-N141 PolarHBondContact NE-OD1 2.77Å; R75-A144 HydrophobicContact CB-CB 4.24Å; R75-A144 HydrophobicContact CG-CB 3.65Å
76	G	97.9	Very high	97.8	Very high	35 Å²	35	44.4 Å²	44.4	36%	0.361	21%	0.211	S	C	.	.	S	Bend	trans	88.3	1.4	170.7	0	0	0	0	0	115.5	R72 T73 S74	R72-G76 VanDerWaalsContact NH1-C 3.34Å; R72-G76 PolarHBondContact NH1-O 2.89Å; T73-G76 PolarHBondContact O-N 2.91Å; S74-G76 VanDerWaalsContact C-N 3.35Å
77	N	98.4	Very high	97.5	Very high	25 Å²	25	44.3 Å²	44.3	13%	0.134	21%	0.213	C	C	.	.			trans	-77.7	157.5	172.9	-59.5	-30.2	0	0	0	110.1	R72 T73 S128 N141	R72-N77 CarbonylContact C-O 3.59Å; R72-N77 WeakPolarHBondContact CA-O 3.45Å; T73-N77 HydrophobicContact CG2-CB 4.48Å; T73-N77 PolarHBondContact N-O 3.44Å; T73-N77 PolarHBondContact OG1-N 3.45Å; N77-S128 WeakPolarHBondContact ND2-CB 3.49Å; N77-S128 PolarHBondContact ND2-OG 3.11Å; N77-N141 PolarHBondContact ND2-ND2 2.89Å
78	R	98.1	Very high	97	Very high	145 Å²	145	48.3 Å²	48.3	55%	0.547	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.2	163.8	-61.4	-179.9	-179.7	-169.3	-1.5	108.6	M70 T71 S134	M70-R78 HydrophobicContact CE-CB 3.9Å; T71-R78 CarbonylContact O-C 3.58Å; T71-R78 VanDerWaalsContact O-CA 3.29Å; T71-R78 WeakPolarHBondContact O-CA 3.49Å; R78-S134 PolarHBondContact N-OG 2.73Å; R78-S134 PolarHBondContact O-N 3.32Å; R78-S134 PolarHBondContact O-OG 3.46Å
79	I	98.6	Very high	96.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	146.7	175.3	63.2	172.7	0	0	0	110.7	M70 T71 T73 Y125 D126 S133 D145 A148	M70-I79 CarbonylContact C-O 3.49Å; M70-I79 VanDerWaalsContact CA-O 3.28Å; M70-I79 WeakPolarHBondContact CA-O 3.4Å; T71-I79 HydrophobicContact CG2-CD1 3.96Å; T71-I79 HydrophobicContact CG2-CG1 3.54Å; T71-I79 PolarHBondContact N-O 2.94Å; T71-I79 PolarHBondContact O-N 3.44Å; T73-I79 HydrophobicContact CG2-CD1 4.11Å; T73-I79 HydrophobicContact CG2-CG1 4.06Å; T73-I79 HydrophobicContact CG2-CG2 3.81Å; I79-Y125 HydrophobicContact CD1-CD2 4.04Å; I79-D126 WeakPolarHBondContact CB-O 3.29Å; I79-S133 VanDerWaalsContact CA-OG 3.24Å; I79-S133 WeakPolarHBondContact CA-OG 3.44Å; I79-D145 HydrophobicContact CD1-CB 3.99Å; I79-D145 VanDerWaalsContact CD1-O 3.3Å; I79-D145 WeakPolarHBondContact CD1-O 3.37Å; I79-D145 HydrophobicContact CG2-CB 4.29Å; I79-D145 WeakPolarHBondContact CG2-OD1 3.37Å; I79-A148 HydrophobicContact CD1-CB 4.1Å
80	A	98.6	Very high	96.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	137.7	171.4	0	0	0	0	0	110.4	Y35 L37 M70 L104 Y125 D126 A132 S133	Y35-A80 HydrophobicContact CE2-CB 4.47Å; Y35-A80 WeakPolarHBondContact OH-CB 3.47Å; L37-A80 HydrophobicContact CD1-CB 3.86Å; M70-A80 HydrophobicContact CE-CB 4.38Å; M70-A80 WeakPolarHBondContact SD-CA 3.33Å; M70-A80 HydrophobicContact SD-CB 3.67Å; A80-L104 HydrophobicContact CB-CD1 4.06Å; A80-Y125 CarbonylContact O-C 3.13Å; A80-Y125 WeakPolarHBondContact O-CA 3.3Å; A80-Y125 WeakPolarHBondContact O-CB 3.17Å; A80-D126 PolarHBondContact O-N 3.43Å; A80-A132 HydrophobicContact CB-CB 4.22Å; A80-S133 PolarHBondContact N-OG 2.76Å
81	C	98.6	Very high	96.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	148.6	171.8	-62.9	0	0	0	0	109.4	C68 F69 F123 S124	C68-C81 CarbonylContact C-O 3.52Å; C68-C81 WeakPolarHBondContact CA-O 3.38Å; F69-C81 HydrophobicContact CD1-CB 4.17Å; F69-C81 HydrophobicContact CD2-CB 4.42Å; F69-C81 HydrophobicContact CE1-CB 3.69Å; F69-C81 HydrophobicContact CE2-CB 3.98Å; F69-C81 HydrophobicContact CG-CB 4.5Å; F69-C81 HydrophobicContact CZ-CB 3.58Å; F69-C81 PolarHBondContact N-O 3.22Å; F69-C81 PolarHBondContact O-N 3.12Å; C81-F123 HydrophobicContact CB-CE1 4.38Å; C81-F123 HydrophobicContact CB-CE2 4.19Å; C81-F123 HydrophobicContact CB-CZ 3.67Å; C81-S124 CarbonylContact C-O 3.56Å; C81-S124 WeakPolarHBondContact CA-O 3.46Å
82	M	98.6	Very high	96.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.6	177.8	178.4	-178.6	-73.4	0	0	108.9	L48 I66 E67 V84 L104 Y111 F123 S124	L48-M82 HydrophobicContact CD2-CE 3.98Å; I66-M82 HydrophobicContact CG2-CE 4Å; I66-M82 HydrophobicContact CG2-CG 3.52Å; I66-M82 HydrophobicContact CG2-SD 3.89Å; E67-M82 CarbonylContact O-C 3.58Å; E67-M82 WeakPolarHBondContact O-CA 3.31Å; M82-V84 HydrophobicContact CG-CG2 3.88Å; M82-V84 HydrophobicContact SD-CG2 3.98Å; M82-L104 HydrophobicContact CB-CD1 3.94Å; M82-L104 HydrophobicContact CB-CD2 4.11Å; M82-L104 HydrophobicContact CB-CG 4.48Å; M82-L104 HydrophobicContact CE-CB 3.91Å; M82-L104 WeakPolarHBondContact CE-O 3.43Å; M82-Y111 HydrophobicContact SD-CD2 4.05Å; M82-Y111 HydrophobicContact SD-CE2 4.41Å; M82-F123 CarbonylContact O-C 3.56Å; M82-F123 WeakPolarHBondContact O-CA 3.34Å; M82-S124 PolarHBondContact N-O 3.1Å; M82-S124 PolarHBondContact O-N 2.93Å
83	F	98.5	Very high	96.7	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.009	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.3	171.2	-168.5	-162.4	0	0	0	110.2	E67 T93 N121 V122 F123 Y157 I159	E67-F83 PolarHBondContact N-O 3.45Å; E67-F83 PolarHBondContact O-N 2.94Å; F83-T93 HydrophobicContact CE2-CG2 3.8Å; F83-T93 HydrophobicContact CZ-CG2 4.43Å; F83-N121 HydrophobicContact CE2-CB 3.58Å; F83-N121 HydrophobicContact CZ-CB 4.12Å; F83-V122 WeakPolarHBondContact CD2-O 3.37Å; F83-F123 HydrophobicContact CB-CD2 3.79Å; F83-F123 HydrophobicContact CB-CE2 4.33Å; F83-F123 HydrophobicContact CD2-CB 4.07Å; F83-F123 HydrophobicContact CD2-CD2 4.13Å; F83-F123 HydrophobicContact CG-CD2 4.01Å; F83-Y157 HydrophobicContact CB-CE2 4.38Å; F83-Y157 AromaticContact CD1-CD1 3.7Å; F83-Y157 HydrophobicContact CD1-CD1 3.7Å; F83-Y157 HydrophobicContact CD1-CD2 4.03Å; F83-Y157 AromaticContact CD1-CE1 3.49Å; F83-Y157 HydrophobicContact CD1-CE1 3.49Å; F83-Y157 VanDerWaalsContact CD1-CE1 3.49Å; F83-Y157 AromaticContact CD1-CE2 3.85Å; F83-Y157 HydrophobicContact CD1-CE2 3.85Å; F83-Y157 AromaticContact CD1-CG 3.95Å; F83-Y157 HydrophobicContact CD1-CG 3.95Å; F83-Y157 AromaticContact CD1-CZ 3.55Å; F83-Y157 AromaticContact CE1-CD1 3.7Å; F83-Y157 HydrophobicContact CE1-CD1 3.7Å; F83-Y157 HydrophobicContact CE1-CD2 4.23Å; F83-Y157 AromaticContact CE1-CE1 3.99Å; F83-Y157 HydrophobicContact CE1-CE1 3.99Å; F83-Y157 HydrophobicContact CE1-CE2 4.5Å; F83-Y157 AromaticContact CE1-CG 3.81Å; F83-Y157 HydrophobicContact CE1-CG 3.81Å; F83-Y157 HydrophobicContact CG-CE2 4.39Å; F83-I159 HydrophobicContact CE1-CD1 4.29Å; F83-I159 HydrophobicContact CZ-CD1 3.81Å
84	V	98.2	Very high	96.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	114.4	179.7	-167	0	0	0	0	108.9	A65 I66 M82 C86 Y111 I112 V122	A65-V84 WeakPolarHBondContact O-CA 3.27Å; I66-V84 HydrophobicContact CG1-CG1 4.14Å; I66-V84 HydrophobicContact CG1-CG2 4.18Å; M82-V84 HydrophobicContact CG-CG2 3.88Å; M82-V84 HydrophobicContact SD-CG2 3.98Å; V84-C86 WeakPolarHBondContact CG1-SG 3.27Å; V84-C86 PolarHBondContact O-N 2.89Å; V84-Y111 HydrophobicContact CG2-CD2 4.4Å; V84-I112 HydrophobicContact CG1-CD1 4.3Å; V84-I112 HydrophobicContact CG1-CG1 3.43Å; V84-I112 VanDerWaalsContact CG1-CG1 3.43Å; V84-V122 HydrophobicContact CB-CB 4.36Å; V84-V122 PolarHBondContact N-O 3.19Å; V84-V122 PolarHBondContact O-N 3.4Å
85	R	97.4	Very high	96.7	Very high	127 Å²	127	45.2 Å²	45.2	48%	0.479	22%	0.222	S	C	.	.			trans	-86.8	82.1	176.9	-65.1	-175.3	-176.6	-77	-0.4	110.4	A65 N121	A65-R85 PolarHBondContact O-N 3.42Å; R85-N121 WeakPolarHBondContact CA-OD1 3.3Å
86	C	95.4	Very high	96.8	Very high	23 Å²	23	38.6 Å²	38.6	16%	0.155	20%	0.197	C	C	.	.			trans	-78.1	-21.4	-172.3	-47.2	0	0	0	0	113.7	V84 Y111 G115 C120 N121	V84-C86 WeakPolarHBondContact CG1-SG 3.27Å; V84-C86 PolarHBondContact O-N 2.89Å; C86-Y111 PolarHBondContact SG-O 3.48Å; C86-Y111 VanDerWaalsContact SG-O 3.42Å; C86-G115 VanDerWaalsContact CB-C 3.47Å; C86-C120 WeakPolarHBondContact CB-O 3.35Å; C86-N121 PolarHBondContact N-OD1 3.18Å
87	S	90.4	Very high	96.8	Very high	17 Å²	17	37 Å²	37	12%	0.119	18%	0.18	C	C	.	.			trans	-147.3	137.6	179.4	171.4	0	0	0	0	112.5	N89 A90 N119 N121	S87-N89 PolarHBondContact O-N 2.93Å; S87-N89 PolarHBondContact OG-N 3.28Å; S87-N89 PolarHBondContact OG-OD1 3.37Å; S87-A90 PolarHBondContact O-N 3.27Å; S87-N119 WeakPolarHBondContact CB-OD1 3.44Å; S87-N119 PolarHBondContact OG-OD1 2.95Å; S87-N121 PolarHBondContact O-OD1 2.88Å
88	P	87.5	Confident	96.8	Very high	142 Å²	142	35.8 Å²	35.8	92%	0.922	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.9	-179.5	28.7	-35.8	0	0	0	113.6
89	N	92.6	Very high	96.7	Very high	119 Å²	119	29.1 Å²	29.1	64%	0.636	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.6	24.1	-179.4	68.2	-18.8	0	0	0	112.5	S87 R91 N119	S87-N89 PolarHBondContact O-N 2.93Å; S87-N89 PolarHBondContact OG-N 3.28Å; S87-N89 PolarHBondContact OG-OD1 3.37Å; N89-R91 PolarHBondContact O-N 3.03Å; N89-N119 PolarHBondContact OD1-OD1 3.45Å
90	A	95.3	Very high	96.5	Very high	22 Å²	22	31.1 Å²	31.1	18%	0.182	16%	0.161	C	C	.	.			trans	-56.7	119.8	173.6	0	0	0	0	0	110.7	S87	S87-A90 PolarHBondContact O-N 3.27Å
91	R	94.3	Very high	96.3	Very high	137 Å²	137	33.6 Å²	33.6	52%	0.517	18%	0.182	S	C	.	.	S	Bend	trans	-74.9	-36.2	174.2	176	174.5	170	170.3	-6.5	111.7	N89	N89-R91 PolarHBondContact O-N 3.03Å
92	Y	98.3	Very high	96.1	Very high	10 Å²	10	35.2 Å²	35.2	4%	0.039	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	152.5	-174.8	-60.2	-69.1	0	0	0	111.4	C120 N121 T163 I165 A186 V281 L285	Y92-C120 WeakPolarHBondContact O-CA 3.36Å; Y92-N121 PolarHBondContact O-N 3.33Å; Y92-N121 VanDerWaalsContact O-N 3.08Å; Y92-T163 VanDerWaalsContact CA-O 3.31Å; Y92-T163 WeakPolarHBondContact CA-O 3.44Å; Y92-I165 HydrophobicContact CD1-CD1 4.43Å; Y92-I165 HydrophobicContact CD1-CG1 4.39Å; Y92-I165 HydrophobicContact CD2-CD1 4.29Å; Y92-I165 HydrophobicContact CG-CD1 3.93Å; Y92-I165 HydrophobicContact CG-CG1 4.33Å; Y92-A186 HydrophobicContact CD1-CB 3.97Å; Y92-A186 HydrophobicContact CE1-CB 3.85Å; Y92-V281 HydrophobicContact CD2-CG1 3.85Å; Y92-V281 HydrophobicContact CE2-CG1 4.43Å; Y92-L285 HydrophobicContact CE2-CB 4.23Å; Y92-L285 PolarHBondContact OH-O 2.85Å; Y92-L285 VanDerWaalsContact OH-O 3.07Å
93	T	98.8	Very high	96.1	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.043	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.7	169	-58.9	0	0	0	0	109.1	F83 N121 F123 L153 I159 T163 V164 I165	F83-T93 HydrophobicContact CE2-CG2 3.8Å; F83-T93 HydrophobicContact CZ-CG2 4.43Å; T93-N121 CarbonylContact C-O 3.5Å; T93-N121 WeakPolarHBondContact CA-O 3.47Å; T93-N121 HydrophobicContact CG2-CB 4.12Å; T93-F123 HydrophobicContact CG2-CB 4.04Å; T93-L153 HydrophobicContact CG2-CD1 4.08Å; T93-I159 HydrophobicContact CG2-CD1 4.2Å; T93-T163 PolarHBondContact N-O 2.79Å; T93-V164 WeakPolarHBondContact O-CA 3.4Å; T93-I165 PolarHBondContact O-N 2.84Å
94	L	98.9	Very high	96.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126.9	170.4	-53	-171.2	0	0	0	108.9	F96 L114 I118 C120 N121 V122 F123 I165 Y167	L94-F96 HydrophobicContact CD1-CD2 4.37Å; L94-L114 HydrophobicContact CD1-CD2 3.89Å; L94-L114 HydrophobicContact CD1-CG 4.46Å; L94-I118 HydrophobicContact CD1-CD1 4.01Å; L94-I118 HydrophobicContact CD2-CD1 4.33Å; L94-C120 HydrophobicContact CD2-CB 4.24Å; L94-C120 HydrophobicContact CG-CB 4.09Å; L94-N121 PolarHBondContact N-O 2.83Å; L94-V122 HydrophobicContact CB-CG1 4.43Å; L94-V122 HydrophobicContact CB-CG2 4.46Å; L94-V122 HydrophobicContact CD1-CG2 4.11Å; L94-V122 HydrophobicContact CG-CG2 4.38Å; L94-F123 PolarHBondContact O-N 2.84Å; L94-F123 VanDerWaalsContact O-O 3.11Å; L94-I165 CarbonylContact C-O 3.55Å; L94-I165 VanDerWaalsContact CA-O 3.28Å; L94-I165 WeakPolarHBondContact CA-O 3.41Å; L94-I165 HydrophobicContact CD2-CB 3.77Å; L94-I165 HydrophobicContact CD2-CD1 4.14Å; L94-I165 HydrophobicContact CD2-CG2 3.97Å; L94-Y167 HydrophobicContact CD1-CD2 4.39Å
95	L	98.9	Very high	96.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	97.1	157.9	172.8	58.2	0	0	0	107.2	F123 Y125 A149 W150 L153 V164 I165 Y167 L179	L95-F123 CarbonylContact C-O 3.6Å; L95-F123 WeakPolarHBondContact CA-O 3.41Å; L95-F123 HydrophobicContact CD1-CD1 3.65Å; L95-F123 HydrophobicContact CD1-CE1 4.22Å; L95-Y125 HydrophobicContact CD1-CD1 4.12Å; L95-Y125 HydrophobicContact CD1-CE1 4.06Å; L95-A149 HydrophobicContact CD1-CB 4.15Å; L95-W150 HydrophobicContact CD2-CB 4.29Å; L95-W150 HydrophobicContact CD2-CE3 3.8Å; L95-L153 HydrophobicContact CB-CD2 4.29Å; L95-V164 HydrophobicContact CB-CG1 3.75Å; L95-I165 PolarHBondContact N-O 3.21Å; L95-Y167 PolarHBondContact O-N 2.89Å; L95-L179 HydrophobicContact CD2-CD2 3.63Å
96	F	98.9	Very high	96.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.5	-170.9	-158.9	-74.3	0	0	0	111.3	L94 H98 M107 F110 Y111 L114 V122 F123 S124 Y167 Q169	L94-F96 HydrophobicContact CD1-CD2 4.37Å; F96-H98 HydrophobicContact CD1-CB 4.37Å; F96-H98 HydrophobicContact CE1-CB 4.33Å; F96-M107 HydrophobicContact CE1-CE 4.01Å; F96-M107 HydrophobicContact CZ-CE 4.34Å; F96-F110 AromaticContact CE2-CE1 3.9Å; F96-F110 HydrophobicContact CE2-CE1 3.9Å; F96-F110 AromaticContact CZ-CE1 3.79Å; F96-F110 HydrophobicContact CZ-CE1 3.79Å; F96-Y111 HydrophobicContact CB-CE1 4.27Å; F96-Y111 AromaticContact CD1-CE1 3.59Å; F96-Y111 HydrophobicContact CD1-CE1 3.59Å; F96-Y111 HydrophobicContact CD2-CE1 4.21Å; F96-Y111 AromaticContact CE1-CE1 3.9Å; F96-Y111 HydrophobicContact CE1-CE1 3.9Å; F96-Y111 HydrophobicContact CE2-CE1 4.48Å; F96-Y111 AromaticContact CG-CE1 3.77Å; F96-Y111 HydrophobicContact CG-CE1 3.77Å; F96-Y111 HydrophobicContact CZ-CE1 4.34Å; F96-L114 HydrophobicContact CE2-CD2 4.07Å; F96-V122 HydrophobicContact CB-CG1 4.04Å; F96-F123 PolarHBondContact N-O 3.17Å; F96-S124 WeakPolarHBondContact O-CA 3.23Å; F96-S124 PolarHBondContact O-OG 3.48Å; F96-S124 VanDerWaalsContact O-OG 3.05Å; F96-Y167 CarbonylContact C-O 3.29Å; F96-Y167 WeakPolarHBondContact CA-O 3.43Å; F96-Y167 AromaticContact CD2-CD1 3.53Å; F96-Y167 HydrophobicContact CD2-CD1 3.53Å; F96-Y167 HydrophobicContact CD2-CD2 4.28Å; F96-Y167 HydrophobicContact CD2-CE1 4.21Å; F96-Y167 AromaticContact CD2-CG 3.62Å; F96-Y167 HydrophobicContact CD2-CG 3.62Å; F96-Y167 HydrophobicContact CE1-CD1 4.31Å; F96-Y167 AromaticContact CE2-CD1 3.18Å; F96-Y167 HydrophobicContact CE2-CD1 3.18Å; F96-Y167 HydrophobicContact CE2-CD2 4.12Å; F96-Y167 AromaticContact CE2-CE1 3.39Å; F96-Y167 HydrophobicContact CE2-CE1 3.39Å; F96-Y167 HydrophobicContact CE2-CE2 4.26Å; F96-Y167 AromaticContact CE2-CG 3.63Å; F96-Y167 HydrophobicContact CE2-CG 3.63Å; F96-Y167 AromaticContact CE2-CZ 3.95Å; F96-Y167 HydrophobicContact CG-CD1 4.23Å; F96-Y167 HydrophobicContact CG-CG 4.47Å; F96-Y167 AromaticContact CZ-CD1 3.62Å; F96-Y167 HydrophobicContact CZ-CD1 3.62Å; F96-Y167 AromaticContact CZ-CE1 3.61Å; F96-Y167 HydrophobicContact CZ-CE1 3.61Å; F96-Y167 HydrophobicContact CZ-CG 4.49Å; F96-Q169 HydrophobicContact CE1-CB 4.35Å; F96-Q169 HydrophobicContact CZ-CB 4.33Å
97	S	98.9	Very high	96.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	109	170.4	-52.1	0	0	0	0	108.2	Y125 Y167 Q169 G172 S176	S97-Y125 PolarHBondContact OG-OH 3.2Å; S97-Y125 VanDerWaalsContact OG-OH 3.06Å; S97-Y167 PolarHBondContact N-O 3.2Å; S97-Q169 PolarHBondContact O-N 2.95Å; S97-G172 WeakPolarHBondContact CB-O 3.24Å; S97-S176 PolarHBondContact OG-OG 3.11Å
98	H	98.6	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.175	C	C	.	.			trans	-72.4	164.4	-171.2	66.2	79.3	0	0	0	114.2	F96 V102 M107 Y125 D126 Y127 Y130	F96-H98 HydrophobicContact CD1-CB 4.37Å; F96-H98 HydrophobicContact CE1-CB 4.33Å; H98-V102 HydrophobicContact CB-CG2 4.06Å; H98-V102 PolarHBondContact CE1-O 3.17Å; H98-V102 VanDerWaalsContact CE1-O 3.31Å; H98-M107 HydrophobicContact CB-CG 4.31Å; H98-Y125 PolarHBondContact CD2-O 2.94Å; H98-Y125 PolarHBondContact NE2-O 3.29Å; H98-D126 IonicContact CD2-OD1 3.98Å; H98-D126 IonicContact CE1-OD1 3.91Å; H98-D126 IonicContact NE2-OD1 3.27Å; H98-D126 PolarHBondContact NE2-OD1 3.14Å; H98-Y127 AromaticContact CE1-CD2 3.62Å; H98-Y127 AromaticContact CE1-CE2 3.46Å; H98-Y127 VanDerWaalsContact CE1-CE2 3.46Å; H98-Y127 WeakPolarHBondContact CE1-CE2 3.22Å; H98-Y127 PolarHBondContact N-OH 3.31Å; H98-Y127 AromaticContact ND1-CE2 3.78Å; H98-Y127 AromaticContact NE2-CD2 3.89Å; H98-Y127 AromaticContact NE2-CE2 3.81Å; H98-Y127 PolarHBondContact O-OH 3.45Å; H98-Y130 AromaticContact CE1-CD1 3.83Å
99	G	96.4	Very high	97	Very high	6 Å²	6	25 Å²	25	6%	0.062	13%	0.134	C	C	.	.			trans	-66.2	-179.3	175.2	0	0	0	0	0	113.6	V102 Q169	G99-V102 WeakPolarHBondContact O-CG2 3.2Å; G99-Q169 WeakPolarHBondContact CA-O 3.48Å
100	N	93.7	Very high	97.2	Very high	41 Å²	41	22 Å²	22	22%	0.219	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	168.1	170.8	-159.2	10.1	0	0	0	110.6	A27 L29 V102 Y130 I171	A27-N100 PolarHBondContact O-ND2 2.71Å; L29-N100 PolarHBondContact N-OD1 3.28Å; N100-V102 PolarHBondContact O-N 2.89Å; N100-Y130 PolarHBondContact OD1-OH 2.94Å; N100-I171 HydrophobicContact CB-CG2 3.98Å
101	A	93.3	Very high	97.3	Very high	53 Å²	53	21 Å²	21	44%	0.438	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	16	173.3	0	0	0	0	0	116.6	L29	L29-A101 HydrophobicContact CB-CB 4.49Å; L29-A101 WeakPolarHBondContact O-CA 3.46Å; L29-A101 PolarHBondContact O-N 3.41Å
102	V	95.8	Very high	97.4	Very high	34 Å²	34	15 Å²	15	21%	0.206	9%	0.085	C	C	.	.			trans	-129.9	157.8	172.8	-61.6	0	0	0	0	110.1	H98 G99 N100 M107 Y130	H98-V102 HydrophobicContact CB-CG2 4.06Å; H98-V102 PolarHBondContact CE1-O 3.17Å; H98-V102 VanDerWaalsContact CE1-O 3.31Å; G99-V102 WeakPolarHBondContact O-CG2 3.2Å; N100-V102 PolarHBondContact O-N 2.89Å; V102-M107 HydrophobicContact CB-CG 4.13Å; V102-M107 HydrophobicContact CB-SD 4.15Å; V102-M107 HydrophobicContact CG1-SD 4.35Å; V102-M107 HydrophobicContact CG2-CG 3.93Å; V102-M107 HydrophobicContact CG2-SD 3.91Å; V102-Y130 WeakPolarHBondContact O-CD1 3.36Å
103	D	98.3	Very high	97.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.085	C	C	.	.			trans	-126	173.9	169.1	74.1	2.6	0	0	0	111.4	P31 P33 T34 Y35 G105 Q106 M107 D126	P31-D103 HydrophobicContact CG-CB 4.07Å; P33-D103 WeakPolarHBondContact CA-OD2 3.45Å; T34-D103 PolarHBondContact N-OD2 3.47Å; T34-D103 PolarHBondContact OG1-OD1 3.26Å; T34-D103 PolarHBondContact OG1-OD2 3.08Å; Y35-D103 WeakPolarHBondContact CD1-OD2 3.47Å; Y35-D103 HydrophobicContact CE1-CB 4.16Å; D103-G105 PolarHBondContact O-N 3.27Å; D103-G105 VanDerWaalsContact O-N 3.14Å; D103-G105 WeakPolarHBondContact OD1-CA 3.26Å; D103-G105 PolarHBondContact OD1-N 3.09Å; D103-Q106 PolarHBondContact O-N 3.1Å; D103-Q106 PolarHBondContact OD1-N 2.9Å; D103-Q106 VanDerWaalsContact OD1-N 3.07Å; D103-M107 WeakPolarHBondContact O-CG 3.23Å; D103-M107 PolarHBondContact O-N 3.19Å; D103-M107 VanDerWaalsContact O-N 3.09Å; D103-D126 WeakPolarHBondContact CA-OD1 3.32Å
104	L	98.4	Very high	97.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-55.9	-29.9	178.7	-69.6	177.3	0	0	0	114.2	Y35 A80 M82 S108 Y111 S124 D126	Y35-L104 HydrophobicContact CE1-CB 3.85Å; A80-L104 HydrophobicContact CB-CD1 4.06Å; M82-L104 HydrophobicContact CB-CD1 3.94Å; M82-L104 HydrophobicContact CB-CD2 4.11Å; M82-L104 HydrophobicContact CB-CG 4.48Å; M82-L104 HydrophobicContact CE-CB 3.91Å; M82-L104 WeakPolarHBondContact CE-O 3.43Å; L104-S108 PolarHBondContact O-N 2.77Å; L104-S108 VanDerWaalsContact O-N 3.1Å; L104-Y111 HydrophobicContact CD2-CE2 4.04Å; L104-S124 VanDerWaalsContact CD2-OG 3.26Å; L104-S124 WeakPolarHBondContact CD2-OG 3.18Å; L104-D126 HydrophobicContact CD1-CB 4.35Å; L104-D126 HydrophobicContact CG-CB 4.32Å; L104-D126 PolarHBondContact N-OD1 3.45Å
105	G	97.8	Very high	97.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.8	-52.1	178.8	0	0	0	0	0	111	T34 Y35 D103 M107 S108	T34-G105 WeakPolarHBondContact OG1-CA 3.32Å; Y35-G105 VanDerWaalsContact CD1-N 3.33Å; D103-G105 PolarHBondContact O-N 3.27Å; D103-G105 VanDerWaalsContact O-N 3.14Å; D103-G105 WeakPolarHBondContact OD1-CA 3.26Å; D103-G105 PolarHBondContact OD1-N 3.09Å; G105-M107 VanDerWaalsContact C-N 3.29Å; G105-M107 PolarHBondContact O-N 2.85Å; G105-S108 WeakPolarHBondContact O-CB 3Å; G105-S108 PolarHBondContact O-N 2.98Å; G105-S108 PolarHBondContact O-OG 3.37Å
106	Q	96.8	Very high	97.1	Very high	70 Å²	70	17.7 Å²	17.7	33%	0.327	11%	0.106	S	C	.	.	H	α-helix	trans	-63.5	-35.8	177.5	-64.7	179	-70.3	0	0	112.3	T34 D103 S108	T34-Q106 HydrophobicContact CG2-CG 3.44Å; T34-Q106 VanDerWaalsContact CG2-CG 3.44Å; T34-Q106 PolarHBondContact OG1-N 3.48Å; D103-Q106 PolarHBondContact O-N 3.1Å; D103-Q106 PolarHBondContact OD1-N 2.9Å; D103-Q106 VanDerWaalsContact OD1-N 3.07Å; Q106-S108 VanDerWaalsContact C-N 3.31Å; Q106-S108 PolarHBondContact O-N 3.21Å
107	M	97.9	Very high	96.9	Very high	17 Å²	17	24.4 Å²	24.4	8%	0.084	13%	0.131	C	C	.	.	H	α-helix	trans	-79.3	-12.2	-178.1	-64.6	-61.3	-67.5	0	0	114	F96 H98 V102 D103 G105 S109 F110 Y111	F96-M107 HydrophobicContact CE1-CE 4.01Å; F96-M107 HydrophobicContact CZ-CE 4.34Å; H98-M107 HydrophobicContact CB-CG 4.31Å; V102-M107 HydrophobicContact CB-CG 4.13Å; V102-M107 HydrophobicContact CB-SD 4.15Å; V102-M107 HydrophobicContact CG1-SD 4.35Å; V102-M107 HydrophobicContact CG2-CG 3.93Å; V102-M107 HydrophobicContact CG2-SD 3.91Å; D103-M107 WeakPolarHBondContact O-CG 3.23Å; D103-M107 PolarHBondContact O-N 3.19Å; D103-M107 VanDerWaalsContact O-N 3.09Å; G105-M107 VanDerWaalsContact C-N 3.29Å; G105-M107 PolarHBondContact O-N 2.85Å; M107-S109 PolarHBondContact O-N 3Å; M107-F110 HydrophobicContact CE-CD1 3.53Å; M107-F110 HydrophobicContact CE-CE1 3.99Å; M107-F110 HydrophobicContact CE-CG 4.2Å; M107-F110 WeakPolarHBondContact O-CB 3.27Å; M107-F110 PolarHBondContact O-N 3.06Å; M107-F110 VanDerWaalsContact O-N 3.12Å; M107-Y111 HydrophobicContact CB-CD2 4.08Å; M107-Y111 HydrophobicContact CB-CE1 3.91Å; M107-Y111 HydrophobicContact CB-CE2 3.4Å; M107-Y111 WeakPolarHBondContact CB-OH 3.34Å; M107-Y111 HydrophobicContact CE-CE1 3.8Å; M107-Y111 WeakPolarHBondContact O-CD2 3.48Å; M107-Y111 VanDerWaalsContact O-CG 3.27Å; M107-Y111 PolarHBondContact O-N 3.31Å
108	S	97.4	Very high	96.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-45.7	-172.7	63	0	0	0	0	113.6	W56 L104 G105 Q106 F110 Y111 I112	W56-S108 VanDerWaalsContact CE3-OG 3.31Å; W56-S108 WeakPolarHBondContact CZ3-OG 3.18Å; L104-S108 PolarHBondContact O-N 2.77Å; L104-S108 VanDerWaalsContact O-N 3.1Å; G105-S108 WeakPolarHBondContact O-CB 3Å; G105-S108 PolarHBondContact O-N 2.98Å; G105-S108 PolarHBondContact O-OG 3.37Å; Q106-S108 VanDerWaalsContact C-N 3.31Å; Q106-S108 PolarHBondContact O-N 3.21Å; S108-F110 PolarHBondContact O-N 2.92Å; S108-Y111 PolarHBondContact O-N 3.42Å; S108-I112 PolarHBondContact O-N 3.32Å
109	S	96.8	Very high	96.8	Very high	9 Å²	9	27.9 Å²	27.9	6%	0.063	15%	0.15	C	C	.	.	H	α-helix	trans	-60.6	-45.3	175.1	-63.2	0	0	0	0	111.1	D55 W56 Q57 Y58 M107 Y111 I112 G113	D55-S109 PolarHBondContact O-OG 3.38Å; W56-S109 WeakPolarHBondContact CA-OG 3.36Å; Q57-S109 PolarHBondContact N-OG 3.49Å; Q57-S109 VanDerWaalsContact N-OG 3.16Å; Y58-S109 WeakPolarHBondContact CE2-O 3.4Å; M107-S109 PolarHBondContact O-N 3Å; S109-Y111 PolarHBondContact O-N 3.1Å; S109-I112 PolarHBondContact O-N 2.53Å; S109-G113 PolarHBondContact O-N 3.5Å
110	F	96.9	Very high	96.9	Very high	56 Å²	56	27.6 Å²	27.6	25%	0.246	15%	0.147	C	C	.	.	H	α-helix	trans	-60.7	-43.3	179.2	173.4	-98.3	0	0	0	111.9	F96 M107 S108 I112 G113 L114 E268	F96-F110 AromaticContact CE2-CE1 3.9Å; F96-F110 HydrophobicContact CE2-CE1 3.9Å; F96-F110 AromaticContact CZ-CE1 3.79Å; F96-F110 HydrophobicContact CZ-CE1 3.79Å; M107-F110 HydrophobicContact CE-CD1 3.53Å; M107-F110 HydrophobicContact CE-CE1 3.99Å; M107-F110 HydrophobicContact CE-CG 4.2Å; M107-F110 WeakPolarHBondContact O-CB 3.27Å; M107-F110 PolarHBondContact O-N 3.06Å; M107-F110 VanDerWaalsContact O-N 3.12Å; S108-F110 PolarHBondContact O-N 2.92Å; F110-I112 PolarHBondContact O-N 3.04Å; F110-G113 PolarHBondContact O-N 2.96Å; F110-L114 HydrophobicContact CE1-CB 4.39Å; F110-L114 HydrophobicContact CE1-CD2 3.75Å; F110-L114 HydrophobicContact CZ-CB 4.37Å; F110-L114 HydrophobicContact CZ-CD2 3.85Å; F110-L114 VanDerWaalsContact O-CB 3.3Å; F110-L114 WeakPolarHBondContact O-CB 3.19Å; F110-L114 PolarHBondContact O-N 3.23Å; F110-E268 HydrophobicContact CE2-CB 4.42Å; F110-E268 HydrophobicContact CE2-CG 3.95Å; F110-E268 HydrophobicContact CZ-CG 4.26Å
111	Y	98.3	Very high	97.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-41.9	179.7	-63.2	-30.7	0	0	0	113.3	M82 V84 C86 F96 L104 M107 S108 S109 G115 V122 S124	M82-Y111 HydrophobicContact SD-CD2 4.05Å; M82-Y111 HydrophobicContact SD-CE2 4.41Å; V84-Y111 HydrophobicContact CG2-CD2 4.4Å; C86-Y111 PolarHBondContact SG-O 3.48Å; C86-Y111 VanDerWaalsContact SG-O 3.42Å; F96-Y111 HydrophobicContact CB-CE1 4.27Å; F96-Y111 AromaticContact CD1-CE1 3.59Å; F96-Y111 HydrophobicContact CD1-CE1 3.59Å; F96-Y111 HydrophobicContact CD2-CE1 4.21Å; F96-Y111 AromaticContact CE1-CE1 3.9Å; F96-Y111 HydrophobicContact CE1-CE1 3.9Å; F96-Y111 HydrophobicContact CE2-CE1 4.48Å; F96-Y111 AromaticContact CG-CE1 3.77Å; F96-Y111 HydrophobicContact CG-CE1 3.77Å; F96-Y111 HydrophobicContact CZ-CE1 4.34Å; L104-Y111 HydrophobicContact CD2-CE2 4.04Å; M107-Y111 HydrophobicContact CB-CD2 4.08Å; M107-Y111 HydrophobicContact CB-CE1 3.91Å; M107-Y111 HydrophobicContact CB-CE2 3.4Å; M107-Y111 WeakPolarHBondContact CB-OH 3.34Å; M107-Y111 HydrophobicContact CE-CE1 3.8Å; M107-Y111 WeakPolarHBondContact O-CD2 3.48Å; M107-Y111 VanDerWaalsContact O-CG 3.27Å; M107-Y111 PolarHBondContact O-N 3.31Å; S108-Y111 PolarHBondContact O-N 3.42Å; S109-Y111 PolarHBondContact O-N 3.1Å; Y111-G115 PolarHBondContact O-N 2.82Å; Y111-V122 HydrophobicContact CD1-CG1 3.68Å; Y111-V122 HydrophobicContact CD2-CG1 4.41Å; Y111-V122 HydrophobicContact CE1-CG1 4.29Å; Y111-V122 HydrophobicContact CG-CB 4.46Å; Y111-V122 HydrophobicContact CG-CG1 3.76Å; Y111-S124 VanDerWaalsContact CE2-CB 3.46Å; Y111-S124 WeakPolarHBondContact OH-CB 3.27Å; Y111-S124 PolarHBondContact OH-OG 2.84Å
112	I	96.7	Very high	97.4	Very high	11 Å²	11	23.9 Å²	23.9	6%	0.056	12%	0.12	C	C	.	.	H	α-helix	trans	-61.3	-51.1	173.1	-69.4	-174.3	0	0	0	109.8	W56 Y58 E62 I66 V84 S108 S109 F110 L114 S116	W56-I112 HydrophobicContact CH2-CD1 3.39Å; W56-I112 HydrophobicContact CZ2-CD1 4.31Å; W56-I112 HydrophobicContact CZ3-CD1 4.04Å; Y58-I112 HydrophobicContact CD1-CG2 4.33Å; Y58-I112 HydrophobicContact CD2-CG2 4.42Å; Y58-I112 HydrophobicContact CE1-CG2 3.94Å; Y58-I112 HydrophobicContact CE2-CB 4.1Å; Y58-I112 HydrophobicContact CE2-CG2 4.06Å; E62-I112 HydrophobicContact CB-CD1 3.95Å; I66-I112 HydrophobicContact CD1-CD1 4.07Å; I66-I112 HydrophobicContact CG1-CD1 4.31Å; V84-I112 HydrophobicContact CG1-CD1 4.3Å; V84-I112 HydrophobicContact CG1-CG1 3.43Å; V84-I112 VanDerWaalsContact CG1-CG1 3.43Å; S108-I112 PolarHBondContact O-N 3.32Å; S109-I112 PolarHBondContact O-N 2.53Å; F110-I112 PolarHBondContact O-N 3.04Å; I112-L114 PolarHBondContact O-N 3.44Å; I112-S116 VanDerWaalsContact O-CB 3.25Å; I112-S116 WeakPolarHBondContact O-CB 3.5Å; I112-S116 PolarHBondContact O-N 2.95Å; I112-S116 PolarHBondContact O-OG 3.26Å
113	G	96.4	Very high	97.5	Very high	5 Å²	5	22.3 Å²	22.3	5%	0.052	11%	0.11	C	C	.	.	H	α-helix	trans	-59.3	-44.9	-178.1	0	0	0	0	0	113.4	Y58 S109 F110 R117	Y58-G113 VanDerWaalsContact OH-CA 3.26Å; Y58-G113 WeakPolarHBondContact OH-CA 3.42Å; Y58-G113 PolarHBondContact OH-N 3.16Å; S109-G113 PolarHBondContact O-N 3.5Å; F110-G113 PolarHBondContact O-N 2.96Å; G113-R117 WeakPolarHBondContact O-CB 3.45Å; G113-R117 VanDerWaalsContact O-CD 3.3Å; G113-R117 WeakPolarHBondContact O-CD 3.35Å; G113-R117 WeakPolarHBondContact O-CG 3.32Å; G113-R117 PolarHBondContact O-N 2.78Å; G113-R117 PolarHBondContact O-NH1 2.82Å
114	L	97.4	Very high	97.5	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.042	11%	0.11	C	C	.	.	H	α-helix	trans	-68	-58.4	179.3	178	62.3	0	0	0	110.7	L94 F96 F110 I112 S116 R117 I118 Y273 L277	L94-L114 HydrophobicContact CD1-CD2 3.89Å; L94-L114 HydrophobicContact CD1-CG 4.46Å; F96-L114 HydrophobicContact CE2-CD2 4.07Å; F110-L114 HydrophobicContact CE1-CB 4.39Å; F110-L114 HydrophobicContact CE1-CD2 3.75Å; F110-L114 HydrophobicContact CZ-CB 4.37Å; F110-L114 HydrophobicContact CZ-CD2 3.85Å; F110-L114 VanDerWaalsContact O-CB 3.3Å; F110-L114 WeakPolarHBondContact O-CB 3.19Å; F110-L114 PolarHBondContact O-N 3.23Å; I112-L114 PolarHBondContact O-N 3.44Å; L114-S116 VanDerWaalsContact C-N 3.26Å; L114-S116 PolarHBondContact O-N 2.99Å; L114-R117 PolarHBondContact O-N 3.29Å; L114-I118 HydrophobicContact CD1-CD1 4.19Å; L114-I118 HydrophobicContact CD1-CG2 4.17Å; L114-I118 HydrophobicContact CG-CD1 4.2Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 2.9Å; L114-Y273 HydrophobicContact CD1-CE1 4.23Å; L114-L277 HydrophobicContact CD1-CD1 3.84Å
115	G	97.6	Very high	97.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.7	-38.4	-174.2	0	0	0	0	0	112.7	C86 Y111 R117 N119 C120	C86-G115 VanDerWaalsContact CB-C 3.47Å; Y111-G115 PolarHBondContact O-N 2.82Å; G115-R117 VanDerWaalsContact C-N 3.35Å; G115-R117 PolarHBondContact O-N 3.16Å; G115-N119 WeakPolarHBondContact O-CA 3.41Å; G115-N119 PolarHBondContact O-N 3.47Å; G115-C120 CarbonylContact C-O 3.3Å; G115-C120 VanDerWaalsContact C-O 3.29Å; G115-C120 WeakPolarHBondContact CA-O 3.35Å; G115-C120 PolarHBondContact O-N 3.41Å; G115-C120 VanDerWaalsContact O-O 3.13Å
116	S	96	Very high	97.6	Very high	61 Å²	61	22.3 Å²	22.3	43%	0.427	11%	0.11	S	C	.	.	H	α-helix	trans	-65.9	-38.2	177.7	-53.4	0	0	0	0	111.9	I112 L114	I112-S116 VanDerWaalsContact O-CB 3.25Å; I112-S116 WeakPolarHBondContact O-CB 3.5Å; I112-S116 PolarHBondContact O-N 2.95Å; I112-S116 PolarHBondContact O-OG 3.26Å; L114-S116 VanDerWaalsContact C-N 3.26Å; L114-S116 PolarHBondContact O-N 2.99Å
117	R	96.7	Very high	97.7	Very high	141 Å²	141	19 Å²	19	53%	0.532	10%	0.095	S	C	.	.	H	α-helix	trans	-79.4	-25.8	-176.8	-69.3	173.5	175.4	98.2	-8.2	113.3	G113 L114 G115 L274 K278	G113-R117 WeakPolarHBondContact O-CB 3.45Å; G113-R117 VanDerWaalsContact O-CD 3.3Å; G113-R117 WeakPolarHBondContact O-CD 3.35Å; G113-R117 WeakPolarHBondContact O-CG 3.32Å; G113-R117 PolarHBondContact O-N 2.78Å; G113-R117 PolarHBondContact O-NH1 2.82Å; L114-R117 PolarHBondContact O-N 3.29Å; G115-R117 VanDerWaalsContact C-N 3.35Å; G115-R117 PolarHBondContact O-N 3.16Å; R117-L274 HydrophobicContact CB-CD1 3.65Å; R117-L274 HydrophobicContact CB-CD2 4.08Å; R117-L274 HydrophobicContact CB-CG 4.46Å; R117-L274 HydrophobicContact CG-CD2 4.34Å; R117-K278 WeakPolarHBondContact O-CE 3.44Å
118	I	96.9	Very high	97.7	Very high	8 Å²	8	18.2 Å²	18.2	4%	0.041	9%	0.091	C	C	.	.	H	α-helix	trans	-106.1	7.4	177.7	74.2	173.8	0	0	0	113.4	L94 L114 C120 L274 L277 K278 V281	L94-I118 HydrophobicContact CD1-CD1 4.01Å; L94-I118 HydrophobicContact CD2-CD1 4.33Å; L114-I118 HydrophobicContact CD1-CD1 4.19Å; L114-I118 HydrophobicContact CD1-CG2 4.17Å; L114-I118 HydrophobicContact CG-CD1 4.2Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 2.9Å; I118-C120 HydrophobicContact CD1-CB 4.19Å; I118-C120 HydrophobicContact CG1-CB 3.94Å; I118-C120 PolarHBondContact O-N 3.49Å; I118-L274 HydrophobicContact CG2-CD1 3.59Å; I118-L277 HydrophobicContact CG2-CB 3.98Å; I118-K278 HydrophobicContact CG2-CG 4.21Å; I118-V281 HydrophobicContact CD1-CG2 4.49Å
119	N	97.1	Very high	97.7	Very high	66 Å²	66	19.4 Å²	19.4	35%	0.353	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	46.7	-178.5	-166.4	45	0	0	0	114.3	S87 N89 G115	S87-N119 WeakPolarHBondContact CB-OD1 3.44Å; S87-N119 PolarHBondContact OG-OD1 2.95Å; N89-N119 PolarHBondContact OD1-OD1 3.45Å; G115-N119 WeakPolarHBondContact O-CA 3.41Å; G115-N119 PolarHBondContact O-N 3.47Å
120	C	98.1	Very high	97.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148.2	176.2	-69.1	0	0	0	0	110.8	C86 Y92 L94 G115 I118 V281	C86-C120 WeakPolarHBondContact CB-O 3.35Å; Y92-C120 WeakPolarHBondContact O-CA 3.36Å; L94-C120 HydrophobicContact CD2-CB 4.24Å; L94-C120 HydrophobicContact CG-CB 4.09Å; G115-C120 CarbonylContact C-O 3.3Å; G115-C120 VanDerWaalsContact C-O 3.29Å; G115-C120 WeakPolarHBondContact CA-O 3.35Å; G115-C120 PolarHBondContact O-N 3.41Å; G115-C120 VanDerWaalsContact O-O 3.13Å; I118-C120 HydrophobicContact CD1-CB 4.19Å; I118-C120 HydrophobicContact CG1-CB 3.94Å; I118-C120 PolarHBondContact O-N 3.49Å; C120-V281 VanDerWaalsContact SG-CG1 3.6Å
121	N	98.6	Very high	97.8	Very high	16 Å²	16	17 Å²	17	9%	0.086	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	160.3	160.2	-60.4	-47.2	0	0	0	109.5	F83 R85 C86 S87 Y92 T93 L94	F83-N121 HydrophobicContact CE2-CB 3.58Å; F83-N121 HydrophobicContact CZ-CB 4.12Å; R85-N121 WeakPolarHBondContact CA-OD1 3.3Å; C86-N121 PolarHBondContact N-OD1 3.18Å; S87-N121 PolarHBondContact O-OD1 2.88Å; Y92-N121 PolarHBondContact O-N 3.33Å; Y92-N121 VanDerWaalsContact O-N 3.08Å; T93-N121 CarbonylContact C-O 3.5Å; T93-N121 WeakPolarHBondContact CA-O 3.47Å; T93-N121 HydrophobicContact CG2-CB 4.12Å; L94-N121 PolarHBondContact N-O 2.83Å
122	V	98.8	Very high	97.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120.7	179	-175.8	0	0	0	0	109.9	F83 V84 L94 F96 Y111	F83-V122 WeakPolarHBondContact CD2-O 3.37Å; V84-V122 HydrophobicContact CB-CB 4.36Å; V84-V122 PolarHBondContact N-O 3.19Å; V84-V122 PolarHBondContact O-N 3.4Å; L94-V122 HydrophobicContact CB-CG1 4.43Å; L94-V122 HydrophobicContact CB-CG2 4.46Å; L94-V122 HydrophobicContact CD1-CG2 4.11Å; L94-V122 HydrophobicContact CG-CG2 4.38Å; F96-V122 HydrophobicContact CB-CG1 4.04Å; Y111-V122 HydrophobicContact CD1-CG1 3.68Å; Y111-V122 HydrophobicContact CD2-CG1 4.41Å; Y111-V122 HydrophobicContact CE1-CG1 4.29Å; Y111-V122 HydrophobicContact CG-CB 4.46Å; Y111-V122 HydrophobicContact CG-CG1 3.76Å
123	F	98.9	Very high	97.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.6	170.2	-174.3	-87.3	0	0	0	109.1	F69 C81 M82 F83 T93 L94 L95 F96 A149 A152 L153 Y157	F69-F123 AromaticContact CE1-CE2 3.84Å; F69-F123 HydrophobicContact CE1-CE2 3.84Å; F69-F123 HydrophobicContact CE1-CZ 4.25Å; F69-F123 AromaticContact CZ-CE2 3.86Å; F69-F123 HydrophobicContact CZ-CE2 3.86Å; F69-F123 AromaticContact CZ-CZ 3.87Å; F69-F123 HydrophobicContact CZ-CZ 3.87Å; C81-F123 HydrophobicContact CB-CE1 4.38Å; C81-F123 HydrophobicContact CB-CE2 4.19Å; C81-F123 HydrophobicContact CB-CZ 3.67Å; M82-F123 CarbonylContact O-C 3.56Å; M82-F123 WeakPolarHBondContact O-CA 3.34Å; F83-F123 HydrophobicContact CB-CD2 3.79Å; F83-F123 HydrophobicContact CB-CE2 4.33Å; F83-F123 HydrophobicContact CD2-CB 4.07Å; F83-F123 HydrophobicContact CD2-CD2 4.13Å; F83-F123 HydrophobicContact CG-CD2 4.01Å; T93-F123 HydrophobicContact CG2-CB 4.04Å; L94-F123 PolarHBondContact O-N 2.84Å; L94-F123 VanDerWaalsContact O-O 3.11Å; L95-F123 CarbonylContact C-O 3.6Å; L95-F123 WeakPolarHBondContact CA-O 3.41Å; L95-F123 HydrophobicContact CD1-CD1 3.65Å; L95-F123 HydrophobicContact CD1-CE1 4.22Å; F96-F123 PolarHBondContact N-O 3.17Å; F123-A149 HydrophobicContact CE1-CB 4.01Å; F123-A152 HydrophobicContact CZ-CB 4.28Å; F123-L153 HydrophobicContact CB-CD1 3.6Å; F123-L153 HydrophobicContact CD1-CB 4.39Å; F123-L153 HydrophobicContact CD1-CD1 4.14Å; F123-L153 HydrophobicContact CD2-CD1 3.73Å; F123-L153 HydrophobicContact CE1-CB 4.42Å; F123-L153 HydrophobicContact CE2-CD1 4.45Å; F123-L153 HydrophobicContact CG-CD1 3.55Å; F123-Y157 HydrophobicContact CD2-CE2 4.17Å; F123-Y157 HydrophobicContact CE2-CD2 4.35Å; F123-Y157 AromaticContact CE2-CE2 3.75Å; F123-Y157 HydrophobicContact CE2-CE2 3.75Å
124	S	98.9	Very high	97.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	166.5	179.8	-170.9	0	0	0	0	110.5	C81 M82 F96 L104 Y111	C81-S124 CarbonylContact C-O 3.56Å; C81-S124 WeakPolarHBondContact CA-O 3.46Å; M82-S124 PolarHBondContact N-O 3.1Å; M82-S124 PolarHBondContact O-N 2.93Å; F96-S124 WeakPolarHBondContact O-CA 3.23Å; F96-S124 PolarHBondContact O-OG 3.48Å; F96-S124 VanDerWaalsContact O-OG 3.05Å; L104-S124 VanDerWaalsContact CD2-OG 3.26Å; L104-S124 WeakPolarHBondContact CD2-OG 3.18Å; Y111-S124 VanDerWaalsContact CE2-CB 3.46Å; Y111-S124 WeakPolarHBondContact OH-CB 3.27Å; Y111-S124 PolarHBondContact OH-OG 2.84Å
125	Y	98.9	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	149.6	179.5	63.1	-78.3	0	0	0	110.2	I79 A80 L95 S97 H98 Y127 D145 V146 A149	I79-Y125 HydrophobicContact CD1-CD2 4.04Å; A80-Y125 CarbonylContact O-C 3.13Å; A80-Y125 WeakPolarHBondContact O-CA 3.3Å; A80-Y125 WeakPolarHBondContact O-CB 3.17Å; L95-Y125 HydrophobicContact CD1-CD1 4.12Å; L95-Y125 HydrophobicContact CD1-CE1 4.06Å; S97-Y125 PolarHBondContact OG-OH 3.2Å; S97-Y125 VanDerWaalsContact OG-OH 3.06Å; H98-Y125 PolarHBondContact CD2-O 2.94Å; H98-Y125 PolarHBondContact NE2-O 3.29Å; Y125-Y127 HydrophobicContact CD2-CD1 4.35Å; Y125-Y127 AromaticContact CE2-CD1 3.74Å; Y125-Y127 HydrophobicContact CE2-CD1 3.74Å; Y125-Y127 AromaticContact CE2-CE1 3.74Å; Y125-Y127 HydrophobicContact CE2-CE1 3.74Å; Y125-D145 HydrophobicContact CD2-CB 4.26Å; Y125-D145 HydrophobicContact CE2-CB 3.96Å; Y125-V146 HydrophobicContact CE1-CG2 4.21Å; Y125-V146 HydrophobicContact CE2-CB 4.37Å; Y125-V146 WeakPolarHBondContact OH-CB 3.33Å; Y125-V146 VanDerWaalsContact OH-CG2 3.23Å; Y125-V146 WeakPolarHBondContact OH-CG2 3.5Å; Y125-A149 HydrophobicContact CD1-CB 3.34Å; Y125-A149 HydrophobicContact CD2-CB 4.14Å; Y125-A149 HydrophobicContact CE1-CB 3.77Å; Y125-A149 HydrophobicContact CE2-CB 4.48Å; Y125-A149 HydrophobicContact CG-CB 3.56Å
126	D	98.7	Very high	97.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-85.7	140.6	170.9	-88.7	-27.1	0	0	0	110.3	Y35 I79 A80 H98 D103 L104 G131 S133	Y35-D126 WeakPolarHBondContact CE1-OD2 3.37Å; Y35-D126 PolarHBondContact OH-OD2 3.2Å; I79-D126 WeakPolarHBondContact CB-O 3.29Å; A80-D126 PolarHBondContact O-N 3.43Å; H98-D126 IonicContact CD2-OD1 3.98Å; H98-D126 IonicContact CE1-OD1 3.91Å; H98-D126 IonicContact NE2-OD1 3.27Å; H98-D126 PolarHBondContact NE2-OD1 3.14Å; D103-D126 WeakPolarHBondContact CA-OD1 3.32Å; L104-D126 HydrophobicContact CD1-CB 4.35Å; L104-D126 HydrophobicContact CG-CB 4.32Å; L104-D126 PolarHBondContact N-OD1 3.45Å; D126-G131 WeakPolarHBondContact OD2-CA 3.38Å; D126-S133 VanDerWaalsContact CB-OG 3.28Å; D126-S133 WeakPolarHBondContact CB-OG 3.37Å; D126-S133 PolarHBondContact O-OG 3.14Å; D126-S133 VanDerWaalsContact O-OG 3.11Å
127	Y	98.4	Very high	97.6	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.008	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-63.6	156.6	171.4	-48.5	-45.8	0	0	0	112	H98 Y125 G129 Y130 S133 L142 I171 G172 P175	H98-Y127 AromaticContact CE1-CD2 3.62Å; H98-Y127 AromaticContact CE1-CE2 3.46Å; H98-Y127 VanDerWaalsContact CE1-CE2 3.46Å; H98-Y127 WeakPolarHBondContact CE1-CE2 3.22Å; H98-Y127 PolarHBondContact N-OH 3.31Å; H98-Y127 AromaticContact ND1-CE2 3.78Å; H98-Y127 AromaticContact NE2-CD2 3.89Å; H98-Y127 AromaticContact NE2-CE2 3.81Å; H98-Y127 PolarHBondContact O-OH 3.45Å; Y125-Y127 HydrophobicContact CD2-CD1 4.35Å; Y125-Y127 AromaticContact CE2-CD1 3.74Å; Y125-Y127 HydrophobicContact CE2-CD1 3.74Å; Y125-Y127 AromaticContact CE2-CE1 3.74Å; Y125-Y127 HydrophobicContact CE2-CE1 3.74Å; Y127-G129 PolarHBondContact O-N 2.78Å; Y127-G129 VanDerWaalsContact O-N 3.11Å; Y127-Y130 HydrophobicContact CD2-CD1 4.41Å; Y127-Y130 HydrophobicContact CD2-CD2 4.31Å; Y127-Y130 HydrophobicContact CD2-CE1 4.34Å; Y127-Y130 HydrophobicContact CD2-CE2 4.25Å; Y127-Y130 HydrophobicContact CD2-CG 4.41Å; Y127-Y130 WeakPolarHBondContact O-CB 3.44Å; Y127-Y130 PolarHBondContact O-N 2.83Å; Y127-S133 WeakPolarHBondContact O-CB 3.3Å; Y127-L142 HydrophobicContact CD1-CD1 3.24Å; Y127-L142 HydrophobicContact CD2-CD1 4.01Å; Y127-L142 HydrophobicContact CE1-CD1 3.41Å; Y127-L142 VanDerWaalsContact CE1-CD1 3.41Å; Y127-L142 HydrophobicContact CE2-CD1 4.15Å; Y127-L142 HydrophobicContact CG-CD1 3.55Å; Y127-I171 HydrophobicContact CE2-CG2 4.38Å; Y127-G172 WeakPolarHBondContact OH-CA 3.44Å; Y127-P175 HydrophobicContact CE1-CG 4.39Å
128	S	98.4	Very high	97.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	120.1	172.5	-74.5	0	0	0	0	110.8	N77 S134 K136 P137 D145	N77-S128 WeakPolarHBondContact ND2-CB 3.49Å; N77-S128 PolarHBondContact ND2-OG 3.11Å; S128-S134 CarbonylContact C-O 3.49Å; S128-S134 WeakPolarHBondContact CA-O 3.21Å; S128-K136 CarbonylContact O-C 3.59Å; S128-P137 VanDerWaalsContact O-CA 3.3Å; S128-P137 WeakPolarHBondContact O-CA 3.49Å; S128-P137 WeakPolarHBondContact O-CD 3.41Å; S128-P137 WeakPolarHBondContact O-CG 3.48Å; S128-D145 WeakPolarHBondContact CB-OD2 3.33Å; S128-D145 PolarHBondContact N-OD2 2.9Å; S128-D145 VanDerWaalsContact OG-CG 3.31Å; S128-D145 PolarHBondContact OG-OD1 2.96Å; S128-D145 PolarHBondContact OG-OD2 3.24Å; S128-D145 VanDerWaalsContact OG-OD2 3.14Å
129	G	97.4	Very high	97.3	Very high	25 Å²	25	25.9 Å²	25.9	26%	0.258	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	6.7	-176.6	0	0	0	0	0	116.1	P30 Y127 S133 S134	P30-G129 WeakPolarHBondContact CB-O 3.39Å; Y127-G129 PolarHBondContact O-N 2.78Å; Y127-G129 VanDerWaalsContact O-N 3.11Å; G129-S133 PolarHBondContact N-O 3.32Å; G129-S134 PolarHBondContact N-O 2.68Å
130	Y	98.2	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-103.7	148	170.8	-76.8	-118.8	0	0	0	110.5	F28 L29 P30 H98 N100 V102 Y127 A132 S133 P137	F28-Y130 WeakPolarHBondContact CA-OH 3.3Å; F28-Y130 HydrophobicContact CB-CE2 4.2Å; F28-Y130 WeakPolarHBondContact CB-OH 3.35Å; F28-Y130 HydrophobicContact CD1-CE2 4.21Å; L29-Y130 PolarHBondContact N-OH 2.86Å; L29-Y130 VanDerWaalsContact N-OH 3.12Å; P30-Y130 HydrophobicContact CB-CD1 3.94Å; P30-Y130 HydrophobicContact CB-CD2 3.78Å; P30-Y130 HydrophobicContact CB-CE1 4.02Å; P30-Y130 HydrophobicContact CB-CE2 3.84Å; P30-Y130 HydrophobicContact CB-CG 3.81Å; P30-Y130 HydrophobicContact CG-CE2 4.28Å; H98-Y130 AromaticContact CE1-CD1 3.83Å; N100-Y130 PolarHBondContact OD1-OH 2.94Å; V102-Y130 WeakPolarHBondContact O-CD1 3.36Å; Y127-Y130 HydrophobicContact CD2-CD1 4.41Å; Y127-Y130 HydrophobicContact CD2-CD2 4.31Å; Y127-Y130 HydrophobicContact CD2-CE1 4.34Å; Y127-Y130 HydrophobicContact CD2-CE2 4.25Å; Y127-Y130 HydrophobicContact CD2-CG 4.41Å; Y127-Y130 WeakPolarHBondContact O-CB 3.44Å; Y127-Y130 PolarHBondContact O-N 2.83Å; Y130-A132 PolarHBondContact O-N 2.74Å; Y130-S133 WeakPolarHBondContact O-CA 3.3Å; Y130-S133 WeakPolarHBondContact O-CB 3.37Å; Y130-S133 PolarHBondContact O-N 2.89Å; Y130-P137 HydrophobicContact CD2-CG 4.08Å; Y130-P137 HydrophobicContact CE2-CB 4.06Å; Y130-P137 HydrophobicContact CE2-CG 3.68Å
131	G	97.5	Very high	97.2	Very high	14 Å²	14	30.3 Å²	30.3	14%	0.144	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	-123.2	175.2	0	0	0	0	0	113.3	D126 S133	D126-G131 WeakPolarHBondContact OD2-CA 3.38Å; G131-S133 VanDerWaalsContact C-N 3.34Å
132	A	97.4	Very high	97.2	Very high	36 Å²	36	29.7 Å²	29.7	30%	0.298	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-1.1	177.6	0	0	0	0	0	114.1	Y35 L37 M70 A80 Y130	Y35-A132 HydrophobicContact CE2-CB 3.81Å; Y35-A132 PolarHBondContact OH-N 3.02Å; L37-A132 HydrophobicContact CD1-CB 4.43Å; L37-A132 HydrophobicContact CG-CB 4.32Å; M70-A132 WeakPolarHBondContact CE-O 3.37Å; A80-A132 HydrophobicContact CB-CB 4.22Å; Y130-A132 PolarHBondContact O-N 2.74Å
133	S	98.4	Very high	97.1	Very high	10 Å²	10	31.4 Å²	31.4	7%	0.07	18%	0.182	C	C	.	.			trans	-74.9	134.6	-179.8	-64.1	0	0	0	0	112.1	I79 A80 D126 Y127 G129 Y130 G131	I79-S133 VanDerWaalsContact CA-OG 3.24Å; I79-S133 WeakPolarHBondContact CA-OG 3.44Å; A80-S133 PolarHBondContact N-OG 2.76Å; D126-S133 VanDerWaalsContact CB-OG 3.28Å; D126-S133 WeakPolarHBondContact CB-OG 3.37Å; D126-S133 PolarHBondContact O-OG 3.14Å; D126-S133 VanDerWaalsContact O-OG 3.11Å; Y127-S133 WeakPolarHBondContact O-CB 3.3Å; G129-S133 PolarHBondContact N-O 3.32Å; Y130-S133 WeakPolarHBondContact O-CA 3.3Å; Y130-S133 WeakPolarHBondContact O-CB 3.37Å; Y130-S133 PolarHBondContact O-N 2.89Å; G131-S133 VanDerWaalsContact C-N 3.34Å
134	S	98.2	Very high	97.1	Very high	51 Å²	51	31.6 Å²	31.6	36%	0.357	18%	0.184	S	C	.	.			trans	-77	175.2	174.4	64.3	0	0	0	0	112.6	R78 S128 G129	R78-S134 PolarHBondContact N-OG 2.73Å; R78-S134 PolarHBondContact O-N 3.32Å; R78-S134 PolarHBondContact O-OG 3.46Å; S128-S134 CarbonylContact C-O 3.49Å; S128-S134 WeakPolarHBondContact CA-O 3.21Å; G129-S134 PolarHBondContact N-O 2.68Å
135	G	96.4	Very high	97.1	Very high	42 Å²	42	31.6 Å²	31.6	43%	0.433	18%	0.184	S	C	.	.	S	Bend	trans	87.4	-151.2	175	0	0	0	0	0	112.5
136	K	95.3	Very high	97.1	Very high	166 Å²	166	31.6 Å²	31.6	72%	0.722	18%	0.184	S	C	*	.			trans	-141.7	149.8	179.9	-65.3	-176.4	-178.7	178.9	0	110.7	S128 S138 N141	S128-K136 CarbonylContact O-C 3.59Å; K136-S138 PolarHBondContact O-N 3.16Å; K136-N141 PolarHBondContact O-ND2 2.83Å
137	P	93.4	Very high	97.1	Very high	28 Å²	28	33.4 Å²	33.4	18%	0.182	19%	0.193	C	C	.	.			trans	-66.9	134.4	176.9	-20.2	33	0	0	0	111.4	F28 P30 S128 Y130	F28-P137 HydrophobicContact CB-CB 3.36Å; F28-P137 HydrophobicContact CB-CG 3.93Å; F28-P137 HydrophobicContact CD1-CB 3.88Å; F28-P137 HydrophobicContact CD2-CB 3.55Å; F28-P137 HydrophobicContact CE2-CB 4.29Å; F28-P137 HydrophobicContact CG-CB 3.32Å; F28-P137 HydrophobicContact CG-CG 4.37Å; P30-P137 HydrophobicContact CG-CG 4.34Å; S128-P137 VanDerWaalsContact O-CA 3.3Å; S128-P137 WeakPolarHBondContact O-CA 3.49Å; S128-P137 WeakPolarHBondContact O-CD 3.41Å; S128-P137 WeakPolarHBondContact O-CG 3.48Å; Y130-P137 HydrophobicContact CD2-CG 4.08Å; Y130-P137 HydrophobicContact CE2-CB 4.06Å; Y130-P137 HydrophobicContact CE2-CG 3.68Å
138	S	93.7	Very high	97.2	Very high	35 Å²	35	33.7 Å²	33.7	25%	0.245	20%	0.196	C	C	.	.			trans	-165.1	156.4	169	64.9	0	0	0	0	108.8	K136 K140 N141 L142	K136-S138 PolarHBondContact O-N 3.16Å; S138-K140 VanDerWaalsContact C-N 3.28Å; S138-K140 PolarHBondContact O-N 3.41Å; S138-N141 PolarHBondContact O-N 3.37Å; S138-N141 PolarHBondContact OG-N 2.92Å; S138-N141 PolarHBondContact OG-ND2 2.75Å; S138-L142 PolarHBondContact O-N 3.06Å
139	E	93.2	Very high	97.2	Very high	52 Å²	52	33.7 Å²	33.7	24%	0.243	20%	0.196	C	C	.	.	H	α-helix	trans	-53.4	-43.6	176.6	-177.5	170.3	-159.1	0	0	113.2	N141 L142 Y143 F214	E139-N141 VanDerWaalsContact C-N 3.3Å; E139-N141 PolarHBondContact O-N 2.87Å; E139-L142 WeakPolarHBondContact O-CB 3.49Å; E139-L142 PolarHBondContact O-N 3.21Å; E139-Y143 HydrophobicContact CG-CD2 4.17Å; E139-Y143 HydrophobicContact CG-CE2 3.46Å; E139-Y143 VanDerWaalsContact CG-CE2 3.46Å; E139-Y143 WeakPolarHBondContact O-CD2 3.49Å; E139-Y143 PolarHBondContact O-N 3.36Å; E139-Y143 VanDerWaalsContact O-N 3.12Å; E139-Y143 PolarHBondContact OE1-OH 3.47Å; E139-F214 HydrophobicContact CB-CD1 4.01Å; E139-F214 HydrophobicContact CB-CE1 3.53Å; E139-F214 HydrophobicContact CG-CD1 3.65Å; E139-F214 HydrophobicContact CG-CE1 3.72Å; E139-F214 VanDerWaalsContact OE1-CA 3.3Å; E139-F214 WeakPolarHBondContact OE1-CA 3.37Å; E139-F214 PolarHBondContact OE1-N 3.38Å
140	K	95.5	Very high	97.3	Very high	144 Å²	144	32.6 Å²	32.6	63%	0.626	18%	0.184	S	C	*	.	H	α-helix	trans	-64.2	-35.2	178.3	-66.4	-178.4	-179.8	178.2	0	112.7	R75 S138 A144	R75-K140 WeakPolarHBondContact CD-O 3.21Å; S138-K140 VanDerWaalsContact C-N 3.28Å; S138-K140 PolarHBondContact O-N 3.41Å; K140-A144 PolarHBondContact O-N 3.07Å
141	N	97.7	Very high	97.3	Very high	16 Å²	16	37.1 Å²	37.1	9%	0.086	21%	0.205	C	C	.	.	H	α-helix	trans	-74.1	-41.1	174.9	-70.4	-15.8	0	0	0	110.1	R75 N77 K136 S138 E139 Y143 A144 D145	R75-N141 WeakPolarHBondContact CD-OD1 3.22Å; R75-N141 PolarHBondContact NE-OD1 2.77Å; N77-N141 PolarHBondContact ND2-ND2 2.89Å; K136-N141 PolarHBondContact O-ND2 2.83Å; S138-N141 PolarHBondContact O-N 3.37Å; S138-N141 PolarHBondContact OG-N 2.92Å; S138-N141 PolarHBondContact OG-ND2 2.75Å; E139-N141 VanDerWaalsContact C-N 3.3Å; E139-N141 PolarHBondContact O-N 2.87Å; N141-Y143 VanDerWaalsContact C-N 3.27Å; N141-Y143 PolarHBondContact O-N 3.47Å; N141-A144 CarbonylContact O-C 3.57Å; N141-A144 WeakPolarHBondContact O-CA 3.43Å; N141-A144 WeakPolarHBondContact O-CB 3.48Å; N141-A144 PolarHBondContact O-N 2.79Å; N141-D145 WeakPolarHBondContact O-CB 3.21Å; N141-D145 PolarHBondContact O-N 3.13Å; N141-D145 VanDerWaalsContact O-OD2 3.07Å
142	L	97.1	Very high	97.3	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-51.8	-44.8	176.9	-167.3	65.1	0	0	0	112.4	F28 Y127 S138 E139 D145 V146 V174 P175 F214	F28-L142 HydrophobicContact CE1-CD1 4.33Å; F28-L142 HydrophobicContact CE1-CD2 4.14Å; F28-L142 HydrophobicContact CZ-CD2 4.12Å; Y127-L142 HydrophobicContact CD1-CD1 3.24Å; Y127-L142 HydrophobicContact CD2-CD1 4.01Å; Y127-L142 HydrophobicContact CE1-CD1 3.41Å; Y127-L142 VanDerWaalsContact CE1-CD1 3.41Å; Y127-L142 HydrophobicContact CE2-CD1 4.15Å; Y127-L142 HydrophobicContact CG-CD1 3.55Å; S138-L142 PolarHBondContact O-N 3.06Å; E139-L142 WeakPolarHBondContact O-CB 3.49Å; E139-L142 PolarHBondContact O-N 3.21Å; L142-D145 PolarHBondContact O-N 3.21Å; L142-V146 PolarHBondContact O-N 2.8Å; L142-V146 VanDerWaalsContact O-N 3.16Å; L142-V174 HydrophobicContact CD2-CB 4.09Å; L142-V174 HydrophobicContact CD2-CG1 4.03Å; L142-P175 HydrophobicContact CD1-CG 4.08Å; L142-P175 HydrophobicContact CD2-CG 4.34Å; L142-P175 HydrophobicContact CG-CB 4.13Å; L142-P175 HydrophobicContact CG-CG 3.94Å; L142-F214 HydrophobicContact CD2-CE1 4.23Å
143	Y	98.5	Very high	97.3	Very high	36 Å²	36	35 Å²	35	14%	0.141	19%	0.186	C	C	.	.	H	α-helix	trans	-67.9	-40.8	174.1	-60	-37.3	0	0	0	113.4	E139 N141 D145 V146 D147 V174 D178 K219	E139-Y143 HydrophobicContact CG-CD2 4.17Å; E139-Y143 HydrophobicContact CG-CE2 3.46Å; E139-Y143 VanDerWaalsContact CG-CE2 3.46Å; E139-Y143 WeakPolarHBondContact O-CD2 3.49Å; E139-Y143 PolarHBondContact O-N 3.36Å; E139-Y143 VanDerWaalsContact O-N 3.12Å; E139-Y143 PolarHBondContact OE1-OH 3.47Å; N141-Y143 VanDerWaalsContact C-N 3.27Å; N141-Y143 PolarHBondContact O-N 3.47Å; Y143-D145 VanDerWaalsContact C-N 3.28Å; Y143-D145 PolarHBondContact O-N 2.81Å; Y143-V146 VanDerWaalsContact O-CG1 3.27Å; Y143-V146 WeakPolarHBondContact O-CG1 3.47Å; Y143-D147 WeakPolarHBondContact O-CB 3.41Å; Y143-D147 PolarHBondContact O-N 3.48Å; Y143-D147 VanDerWaalsContact O-N 3.11Å; Y143-V174 HydrophobicContact CE1-CG1 3.81Å; Y143-D178 HydrophobicContact CD1-CB 3.64Å; Y143-D178 HydrophobicContact CE1-CB 3.48Å; Y143-D178 VanDerWaalsContact CE1-CB 3.48Å; Y143-K219 PolarHBondContact OH-NZ 3.43Å
144	A	98.8	Very high	97.2	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.033	20%	0.202	C	C	.	.	H	α-helix	trans	-68.2	-29.3	176.5	0	0	0	0	0	113	R75 K140 N141 A148	R75-A144 HydrophobicContact CB-CB 4.24Å; R75-A144 HydrophobicContact CG-CB 3.65Å; K140-A144 PolarHBondContact O-N 3.07Å; N141-A144 CarbonylContact O-C 3.57Å; N141-A144 WeakPolarHBondContact O-CA 3.43Å; N141-A144 WeakPolarHBondContact O-CB 3.48Å; N141-A144 PolarHBondContact O-N 2.79Å; A144-A148 WeakPolarHBondContact O-CB 3.31Å; A144-A148 PolarHBondContact O-N 3.11Å; A144-A148 VanDerWaalsContact O-N 3.14Å
145	D	98.9	Very high	97.1	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-71.9	-47.9	-180	-60.5	-26.7	0	0	0	109.7	T73 I79 Y125 S128 N141 L142 Y143 D147 A148 A149	T73-D145 WeakPolarHBondContact CG2-OD1 3.5Å; I79-D145 HydrophobicContact CD1-CB 3.99Å; I79-D145 VanDerWaalsContact CD1-O 3.3Å; I79-D145 WeakPolarHBondContact CD1-O 3.37Å; I79-D145 HydrophobicContact CG2-CB 4.29Å; I79-D145 WeakPolarHBondContact CG2-OD1 3.37Å; Y125-D145 HydrophobicContact CD2-CB 4.26Å; Y125-D145 HydrophobicContact CE2-CB 3.96Å; S128-D145 WeakPolarHBondContact CB-OD2 3.33Å; S128-D145 PolarHBondContact N-OD2 2.9Å; S128-D145 VanDerWaalsContact OG-CG 3.31Å; S128-D145 PolarHBondContact OG-OD1 2.96Å; S128-D145 PolarHBondContact OG-OD2 3.24Å; S128-D145 VanDerWaalsContact OG-OD2 3.14Å; N141-D145 WeakPolarHBondContact O-CB 3.21Å; N141-D145 PolarHBondContact O-N 3.13Å; N141-D145 VanDerWaalsContact O-OD2 3.07Å; L142-D145 PolarHBondContact O-N 3.21Å; Y143-D145 VanDerWaalsContact C-N 3.28Å; Y143-D145 PolarHBondContact O-N 2.81Å; D145-D147 VanDerWaalsContact C-N 3.34Å; D145-D147 PolarHBondContact O-N 2.64Å; D145-A148 PolarHBondContact O-N 3.05Å; D145-A149 PolarHBondContact O-N 3.01Å
146	V	98.9	Very high	97.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-36.7	176.2	74.4	0	0	0	0	112.4	Y125 L142 Y143 A148 A149 W150 P175 L179	Y125-V146 HydrophobicContact CE1-CG2 4.21Å; Y125-V146 HydrophobicContact CE2-CB 4.37Å; Y125-V146 WeakPolarHBondContact OH-CB 3.33Å; Y125-V146 VanDerWaalsContact OH-CG2 3.23Å; Y125-V146 WeakPolarHBondContact OH-CG2 3.5Å; L142-V146 PolarHBondContact O-N 2.8Å; L142-V146 VanDerWaalsContact O-N 3.16Å; Y143-V146 VanDerWaalsContact O-CG1 3.27Å; Y143-V146 WeakPolarHBondContact O-CG1 3.47Å; V146-A148 VanDerWaalsContact C-N 3.31Å; V146-A148 PolarHBondContact O-N 2.83Å; V146-A149 PolarHBondContact O-N 2.88Å; V146-W150 WeakPolarHBondContact O-CB 3.39Å; V146-W150 PolarHBondContact O-N 3.33Å; V146-P175 HydrophobicContact CB-CB 3.64Å; V146-P175 HydrophobicContact CG1-CB 3.65Å; V146-P175 HydrophobicContact CG2-CB 4.03Å; V146-L179 HydrophobicContact CG1-CB 4.37Å; V146-L179 HydrophobicContact CG2-CB 4.27Å; V146-L179 HydrophobicContact CG2-CD2 3.97Å
147	D	98.8	Very high	97.2	Very high	37 Å²	37	40 Å²	40	20%	0.198	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-44.9	174	-81.9	-24.2	0	0	0	110.7	Y143 D145 W150 H151 R182	Y143-D147 WeakPolarHBondContact O-CB 3.41Å; Y143-D147 PolarHBondContact O-N 3.48Å; Y143-D147 VanDerWaalsContact O-N 3.11Å; D145-D147 VanDerWaalsContact C-N 3.34Å; D145-D147 PolarHBondContact O-N 2.64Å; D147-W150 PolarHBondContact O-N 3.16Å; D147-H151 WeakPolarHBondContact O-CB 3.33Å; D147-H151 VanDerWaalsContact O-CG 3.32Å; D147-H151 PolarHBondContact O-N 3.06Å; D147-H151 PolarHBondContact O-ND1 3.01Å; D147-R182 IonicContact OD1-CZ 3.22Å; D147-R182 VanDerWaalsContact OD1-CZ 3.26Å; D147-R182 IonicContact OD1-NH1 3.4Å; D147-R182 PolarHBondContact OD1-NH1 3Å; D147-R182 IonicContact OD1-NH2 3.57Å; D147-R182 PolarHBondContact OD1-NH2 3.34Å; D147-R182 IonicContact OD2-NH1 3.73Å; D147-R182 IonicContact OD2-NH2 2.77Å
148	A	98.9	Very high	97.3	Very high	9 Å²	9	41.2 Å²	41.2	7%	0.074	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-39.2	178	0	0	0	0	0	112.3	T71 T73 I79 A144 D145 V146 H151 A152	T71-A148 HydrophobicContact CG2-CB 3.99Å; T73-A148 HydrophobicContact CG2-CB 3.9Å; I79-A148 HydrophobicContact CD1-CB 4.1Å; A144-A148 WeakPolarHBondContact O-CB 3.31Å; A144-A148 PolarHBondContact O-N 3.11Å; A144-A148 VanDerWaalsContact O-N 3.14Å; D145-A148 PolarHBondContact O-N 3.05Å; V146-A148 VanDerWaalsContact C-N 3.31Å; V146-A148 PolarHBondContact O-N 2.83Å; A148-H151 PolarHBondContact O-N 3.43Å; A148-A152 VanDerWaalsContact O-CB 3.32Å; A148-A152 WeakPolarHBondContact O-CB 3.38Å; A148-A152 PolarHBondContact O-N 3.46Å
149	A	98.8	Very high	97.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-48.5	174.7	0	0	0	0	0	111.9	L95 F123 Y125 D145 V146 H151 A152 L153	L95-A149 HydrophobicContact CD1-CB 4.15Å; F123-A149 HydrophobicContact CE1-CB 4.01Å; Y125-A149 HydrophobicContact CD1-CB 3.34Å; Y125-A149 HydrophobicContact CD2-CB 4.14Å; Y125-A149 HydrophobicContact CE1-CB 3.77Å; Y125-A149 HydrophobicContact CE2-CB 4.48Å; Y125-A149 HydrophobicContact CG-CB 3.56Å; D145-A149 PolarHBondContact O-N 3.01Å; V146-A149 PolarHBondContact O-N 2.88Å; A149-H151 VanDerWaalsContact C-N 3.32Å; A149-H151 PolarHBondContact O-N 3.2Å; A149-A152 PolarHBondContact O-N 3.1Å; A149-L153 WeakPolarHBondContact O-CB 3.47Å; A149-L153 PolarHBondContact O-N 2.74Å
150	W	98.8	Very high	97.7	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-57.3	-44.5	174.9	175.4	-111.5	0	0	0	112	L95 V146 D147 L153 R154 P161 V164 L179 Y183	L95-W150 HydrophobicContact CD2-CB 4.29Å; L95-W150 HydrophobicContact CD2-CE3 3.8Å; V146-W150 WeakPolarHBondContact O-CB 3.39Å; V146-W150 PolarHBondContact O-N 3.33Å; D147-W150 PolarHBondContact O-N 3.16Å; W150-L153 PolarHBondContact O-N 3.43Å; W150-R154 VanDerWaalsContact CE2-CD 3.48Å; W150-R154 WeakPolarHBondContact O-CG 3.34Å; W150-R154 PolarHBondContact O-N 3.28Å; W150-P161 HydrophobicContact CH2-CB 3.78Å; W150-P161 HydrophobicContact CH2-CG 4.24Å; W150-P161 HydrophobicContact CZ2-CB 3.91Å; W150-P161 HydrophobicContact CZ2-CG 3.95Å; W150-V164 HydrophobicContact CE3-CG1 4.45Å; W150-V164 HydrophobicContact CH2-CB 4.43Å; W150-V164 HydrophobicContact CZ3-CB 3.89Å; W150-V164 HydrophobicContact CZ3-CG1 3.75Å; W150-V164 HydrophobicContact CZ3-CG2 4.06Å; W150-L179 HydrophobicContact CB-CD1 3.97Å; W150-L179 HydrophobicContact CB-CD2 3.99Å; W150-L179 HydrophobicContact CD2-CD1 4.45Å; W150-L179 HydrophobicContact CD2-CD2 3.99Å; W150-L179 HydrophobicContact CE3-CD2 3.8Å; W150-L179 HydrophobicContact CG-CD1 3.97Å; W150-L179 HydrophobicContact CG-CD2 4.11Å; W150-L179 HydrophobicContact CZ3-CD2 4.49Å; W150-Y183 HydrophobicContact CZ2-CG 4.33Å; W150-Y183 AromaticContact NE1-CD2 3.94Å; W150-Y183 AromaticContact NE1-CG 3.87Å
151	H	98.5	Very high	97.8	Very high	95 Å²	95	39.7 Å²	39.7	44%	0.44	20%	0.2	S	C	.	.	H	α-helix	trans	-65.7	-46.2	178.3	-75.1	48.3	0	0	0	111.1	D147 A148 A149 L153 R154 S155	D147-H151 WeakPolarHBondContact O-CB 3.33Å; D147-H151 VanDerWaalsContact O-CG 3.32Å; D147-H151 PolarHBondContact O-N 3.06Å; D147-H151 PolarHBondContact O-ND1 3.01Å; A148-H151 PolarHBondContact O-N 3.43Å; A149-H151 VanDerWaalsContact C-N 3.32Å; A149-H151 PolarHBondContact O-N 3.2Å; H151-L153 VanDerWaalsContact C-N 3.34Å; H151-L153 PolarHBondContact O-N 2.71Å; H151-R154 PolarHBondContact O-N 2.91Å; H151-S155 WeakPolarHBondContact O-CB 3.43Å; H151-S155 PolarHBondContact O-N 2.95Å; H151-S155 PolarHBondContact O-OG 3.07Å
152	A	98.2	Very high	97.8	Very high	5 Å²	5	44.4 Å²	44.4	4%	0.041	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-44	178.1	0	0	0	0	0	111.7	F69 F123 A148 A149 R154 R156	F69-A152 HydrophobicContact CE2-CB 3.92Å; F69-A152 HydrophobicContact CZ-CB 3.86Å; F123-A152 HydrophobicContact CZ-CB 4.28Å; A148-A152 VanDerWaalsContact O-CB 3.32Å; A148-A152 WeakPolarHBondContact O-CB 3.38Å; A148-A152 PolarHBondContact O-N 3.46Å; A149-A152 PolarHBondContact O-N 3.1Å; A152-R154 VanDerWaalsContact C-N 3.29Å; A152-R154 PolarHBondContact O-N 2.94Å; A152-R156 WeakPolarHBondContact O-CA 3.15Å; A152-R156 WeakPolarHBondContact O-CB 3.08Å; A152-R156 PolarHBondContact O-N 2.89Å
153	L	97.3	Very high	97.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55.1	-46.2	176.9	-173.7	66.3	0	0	0	111.6	T93 L95 F123 A149 W150 H151 Y157 I159 V164	T93-L153 HydrophobicContact CG2-CD1 4.08Å; L95-L153 HydrophobicContact CB-CD2 4.29Å; F123-L153 HydrophobicContact CB-CD1 3.6Å; F123-L153 HydrophobicContact CD1-CB 4.39Å; F123-L153 HydrophobicContact CD1-CD1 4.14Å; F123-L153 HydrophobicContact CD2-CD1 3.73Å; F123-L153 HydrophobicContact CE1-CB 4.42Å; F123-L153 HydrophobicContact CE2-CD1 4.45Å; F123-L153 HydrophobicContact CG-CD1 3.55Å; A149-L153 WeakPolarHBondContact O-CB 3.47Å; A149-L153 PolarHBondContact O-N 2.74Å; W150-L153 PolarHBondContact O-N 3.43Å; H151-L153 VanDerWaalsContact C-N 3.34Å; H151-L153 PolarHBondContact O-N 2.71Å; L153-Y157 WeakPolarHBondContact O-CB 3.4Å; L153-Y157 PolarHBondContact O-N 3.46Å; L153-I159 HydrophobicContact CD1-CB 4.48Å; L153-I159 HydrophobicContact CD1-CD1 3.49Å; L153-I159 VanDerWaalsContact CD1-CD1 3.49Å; L153-I159 HydrophobicContact CG-CB 4.2Å; L153-I159 HydrophobicContact CG-CD1 4.15Å; L153-I159 HydrophobicContact CG-CG2 4.33Å; L153-V164 HydrophobicContact CD2-CB 4.47Å; L153-V164 HydrophobicContact CD2-CG1 3.87Å; L153-V164 HydrophobicContact CD2-CG2 3.68Å
154	R	97	Very high	97.8	Very high	104 Å²	104	43.8 Å²	43.8	39%	0.392	22%	0.222	S	C	.	.	H	α-helix	trans	-75.6	-46.4	-177.8	-66.8	178.7	62.5	-144.5	1.2	113	W150 H151 A152 G158 I159	W150-R154 VanDerWaalsContact CE2-CD 3.48Å; W150-R154 WeakPolarHBondContact O-CG 3.34Å; W150-R154 PolarHBondContact O-N 3.28Å; H151-R154 PolarHBondContact O-N 2.91Å; A152-R154 VanDerWaalsContact C-N 3.29Å; A152-R154 PolarHBondContact O-N 2.94Å; R154-G158 WeakPolarHBondContact O-CA 3.31Å; R154-G158 PolarHBondContact O-N 2.86Å; R154-I159 WeakPolarHBondContact CG-O 3.3Å
155	S	96.5	Very high	97.8	Very high	104 Å²	104	43.6 Å²	43.6	73%	0.727	22%	0.22	S	C	*	.	H	α-helix	trans	-82.4	-38	-172.5	69.2	0	0	0	0	113	H151	H151-S155 WeakPolarHBondContact O-CB 3.43Å; H151-S155 PolarHBondContact O-N 2.95Å; H151-S155 PolarHBondContact O-OG 3.07Å
156	R	95.9	Very high	97.8	Very high	125 Å²	125	43.6 Å²	43.6	47%	0.472	22%	0.22	S	C	.	.	H	α-helix	trans	-79.3	-39.5	-178.6	-174.5	176.9	174.5	76.6	1.5	111.8	E67 A152	E67-R156 IonicContact OE1-CZ 2.87Å; E67-R156 IonicContact OE1-NE 3.42Å; E67-R156 PolarHBondContact OE1-NE 2.93Å; E67-R156 IonicContact OE1-NH2 3.48Å; E67-R156 PolarHBondContact OE1-NH2 3.24Å; A152-R156 WeakPolarHBondContact O-CA 3.15Å; A152-R156 WeakPolarHBondContact O-CB 3.08Å; A152-R156 PolarHBondContact O-N 2.89Å
157	Y	96	Very high	97.8	Very high	41 Å²	41	43.6 Å²	43.6	16%	0.161	22%	0.22	C	C	.	.	H	α-helix	trans	-109.1	-3.6	-173.8	-56.8	-70.9	0	0	0	114.1	E67 F69 F83 F123 L153 I159	E67-Y157 PolarHBondContact OE1-OH 3.47Å; E67-Y157 WeakPolarHBondContact OE2-CE1 3.48Å; E67-Y157 PolarHBondContact OE2-OH 3.28Å; F69-Y157 AromaticContact CE1-CE2 3.88Å; F69-Y157 HydrophobicContact CE1-CE2 3.88Å; F69-Y157 AromaticContact CE1-CZ 3.99Å; F69-Y157 WeakPolarHBondContact CE1-OH 3.43Å; F69-Y157 HydrophobicContact CZ-CE2 4.19Å; F83-Y157 HydrophobicContact CB-CE2 4.38Å; F83-Y157 AromaticContact CD1-CD1 3.7Å; F83-Y157 HydrophobicContact CD1-CD1 3.7Å; F83-Y157 HydrophobicContact CD1-CD2 4.03Å; F83-Y157 AromaticContact CD1-CE1 3.49Å; F83-Y157 HydrophobicContact CD1-CE1 3.49Å; F83-Y157 VanDerWaalsContact CD1-CE1 3.49Å; F83-Y157 AromaticContact CD1-CE2 3.85Å; F83-Y157 HydrophobicContact CD1-CE2 3.85Å; F83-Y157 AromaticContact CD1-CG 3.95Å; F83-Y157 HydrophobicContact CD1-CG 3.95Å; F83-Y157 AromaticContact CD1-CZ 3.55Å; F83-Y157 AromaticContact CE1-CD1 3.7Å; F83-Y157 HydrophobicContact CE1-CD1 3.7Å; F83-Y157 HydrophobicContact CE1-CD2 4.23Å; F83-Y157 AromaticContact CE1-CE1 3.99Å; F83-Y157 HydrophobicContact CE1-CE1 3.99Å; F83-Y157 HydrophobicContact CE1-CE2 4.5Å; F83-Y157 AromaticContact CE1-CG 3.81Å; F83-Y157 HydrophobicContact CE1-CG 3.81Å; F83-Y157 HydrophobicContact CG-CE2 4.39Å; F123-Y157 HydrophobicContact CD2-CE2 4.17Å; F123-Y157 HydrophobicContact CE2-CD2 4.35Å; F123-Y157 AromaticContact CE2-CE2 3.75Å; F123-Y157 HydrophobicContact CE2-CE2 3.75Å; L153-Y157 WeakPolarHBondContact O-CB 3.4Å; L153-Y157 PolarHBondContact O-N 3.46Å; Y157-I159 PolarHBondContact O-N 3.37Å
158	G	96.8	Very high	97.8	Very high	55 Å²	55	41.8 Å²	41.8	57%	0.567	21%	0.211	S	C	*	.			trans	65.1	18	-179.9	0	0	0	0	0	113.7	R154 R160	R154-G158 WeakPolarHBondContact O-CA 3.31Å; R154-G158 PolarHBondContact O-N 2.86Å; G158-R160 PolarHBondContact O-N 2.87Å
159	I	97.4	Very high	97.8	Very high	24 Å²	24	42.5 Å²	42.5	12%	0.123	21%	0.212	C	C	.	.			trans	-73.1	127.6	-177.9	-68.2	169.7	0	0	0	108.5	F83 T93 L153 R154 Y157 V164	F83-I159 HydrophobicContact CE1-CD1 4.29Å; F83-I159 HydrophobicContact CZ-CD1 3.81Å; T93-I159 HydrophobicContact CG2-CD1 4.2Å; L153-I159 HydrophobicContact CD1-CB 4.48Å; L153-I159 HydrophobicContact CD1-CD1 3.49Å; L153-I159 VanDerWaalsContact CD1-CD1 3.49Å; L153-I159 HydrophobicContact CG-CB 4.2Å; L153-I159 HydrophobicContact CG-CD1 4.15Å; L153-I159 HydrophobicContact CG-CG2 4.33Å; R154-I159 WeakPolarHBondContact CG-O 3.3Å; Y157-I159 PolarHBondContact O-N 3.37Å; I159-V164 HydrophobicContact CG2-CG2 3.54Å
160	R	97.5	Very high	97.7	Very high	150 Å²	150	43.3 Å²	43.3	57%	0.566	22%	0.218	S	C	*	.			trans	-84	143.5	-177.9	-57.8	-173.1	-61.1	-81.5	-2.9	110.9	G158 E162 T163	G158-R160 PolarHBondContact O-N 2.87Å; R160-E162 WeakPolarHBondContact CB-OE2 3.41Å; R160-E162 IonicContact NE-OE2 2.73Å; R160-E162 PolarHBondContact NE-OE2 2.89Å; R160-E162 PolarHBondContact O-N 2.91Å; R160-E162 VanDerWaalsContact O-N 3.16Å; R160-T163 PolarHBondContact O-N 3.48Å; R160-T163 PolarHBondContact O-OG1 3.34Å
161	P	97.6	Very high	97.6	Very high	25 Å²	25	43.9 Å²	43.9	16%	0.162	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-48	-42.1	179.2	-29.5	35.2	0	0	0	114.5	W150 T163 V164 E184 S185 A186	W150-P161 HydrophobicContact CH2-CB 3.78Å; W150-P161 HydrophobicContact CH2-CG 4.24Å; W150-P161 HydrophobicContact CZ2-CB 3.91Å; W150-P161 HydrophobicContact CZ2-CG 3.95Å; P161-T163 PolarHBondContact O-N 2.77Å; P161-V164 PolarHBondContact O-N 3.17Å; P161-E184 WeakPolarHBondContact CB-O 3.38Å; P161-S185 WeakPolarHBondContact O-CA 3.43Å; P161-A186 PolarHBondContact O-N 3.05Å
162	E	97.1	Very high	97.6	Very high	114 Å²	114	39.3 Å²	39.3	53%	0.533	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-65.7	-5.1	179.8	-35	75.5	-119.3	0	0	114.1	R160 A186	R160-E162 WeakPolarHBondContact CB-OE2 3.41Å; R160-E162 IonicContact NE-OE2 2.73Å; R160-E162 PolarHBondContact NE-OE2 2.89Å; R160-E162 PolarHBondContact O-N 2.91Å; R160-E162 VanDerWaalsContact O-N 3.16Å; E162-A186 WeakPolarHBondContact O-CB 3.35Å
163	T	97.5	Very high	97.6	Very high	26 Å²	26	39.1 Å²	39.1	16%	0.16	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-116	6.4	175.7	60.8	0	0	0	0	112.6	Y92 T93 R160 P161	Y92-T163 VanDerWaalsContact CA-O 3.31Å; Y92-T163 WeakPolarHBondContact CA-O 3.44Å; T93-T163 PolarHBondContact N-O 2.79Å; R160-T163 PolarHBondContact O-N 3.48Å; R160-T163 PolarHBondContact O-OG1 3.34Å; P161-T163 PolarHBondContact O-N 2.77Å
164	V	98.8	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.6	176.6	-175.5	0	0	0	0	109.8	T93 L95 W150 L153 I159 P161 I166 S185 A186	T93-V164 WeakPolarHBondContact O-CA 3.4Å; L95-V164 HydrophobicContact CB-CG1 3.75Å; W150-V164 HydrophobicContact CE3-CG1 4.45Å; W150-V164 HydrophobicContact CH2-CB 4.43Å; W150-V164 HydrophobicContact CZ3-CB 3.89Å; W150-V164 HydrophobicContact CZ3-CG1 3.75Å; W150-V164 HydrophobicContact CZ3-CG2 4.06Å; L153-V164 HydrophobicContact CD2-CB 4.47Å; L153-V164 HydrophobicContact CD2-CG1 3.87Å; L153-V164 HydrophobicContact CD2-CG2 3.68Å; I159-V164 HydrophobicContact CG2-CG2 3.54Å; P161-V164 PolarHBondContact O-N 3.17Å; V164-I166 HydrophobicContact CG1-CG1 4.47Å; V164-S185 WeakPolarHBondContact O-CB 3.29Å; V164-A186 WeakPolarHBondContact O-CA 3.24Å; V164-A186 WeakPolarHBondContact O-CB 3.2Å; V164-A186 PolarHBondContact O-N 3.2Å
165	I	98.9	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.4	166.5	-61	171.4	0	0	0	106.7	Y92 T93 L94 L95 Y167 A186 A187 I189 V281 L285	Y92-I165 HydrophobicContact CD1-CD1 4.43Å; Y92-I165 HydrophobicContact CD1-CG1 4.39Å; Y92-I165 HydrophobicContact CD2-CD1 4.29Å; Y92-I165 HydrophobicContact CG-CD1 3.93Å; Y92-I165 HydrophobicContact CG-CG1 4.33Å; T93-I165 PolarHBondContact O-N 2.84Å; L94-I165 CarbonylContact C-O 3.55Å; L94-I165 VanDerWaalsContact CA-O 3.28Å; L94-I165 WeakPolarHBondContact CA-O 3.41Å; L94-I165 HydrophobicContact CD2-CB 3.77Å; L94-I165 HydrophobicContact CD2-CD1 4.14Å; L94-I165 HydrophobicContact CD2-CG2 3.97Å; L95-I165 PolarHBondContact N-O 3.21Å; I165-Y167 PolarHBondContact O-N 3.44Å; I165-A186 HydrophobicContact CG1-CB 4.17Å; I165-A187 CarbonylContact C-O 3.44Å; I165-A187 WeakPolarHBondContact CA-O 3.36Å; I165-A187 HydrophobicContact CG1-CB 4.32Å; I165-A187 HydrophobicContact CG2-CB 4.22Å; I165-I189 HydrophobicContact CG2-CD1 3.61Å; I165-I189 HydrophobicContact CG2-CG1 3.85Å; I165-V281 HydrophobicContact CD1-CG1 4.46Å; I165-V281 HydrophobicContact CD1-CG2 3.92Å; I165-L285 HydrophobicContact CD1-CD1 3.58Å; I165-L285 HydrophobicContact CG1-CD1 4.01Å
166	I	98.9	Very high	97.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	120.5	175.8	-61	169.8	0	0	0	107.5	V164 L179 A180 A187 V188 I189	V164-I166 HydrophobicContact CG1-CG1 4.47Å; I166-L179 HydrophobicContact CD1-CD2 3.81Å; I166-L179 HydrophobicContact CD1-CG 4.25Å; I166-L179 HydrophobicContact CG1-CD2 4.31Å; I166-A180 HydrophobicContact CD1-CB 3.91Å; I166-A187 PolarHBondContact N-O 2.73Å; I166-V188 HydrophobicContact CB-CG2 4.44Å; I166-V188 CarbonylContact O-C 3.57Å; I166-V188 VanDerWaalsContact O-CA 3.29Å; I166-V188 WeakPolarHBondContact O-CA 3.43Å; I166-I189 PolarHBondContact O-N 2.82Å
167	Y	98.9	Very high	98	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.7	-179.6	-167.2	-61.8	0	0	0	109.3	L94 L95 F96 S97 I165 Q169 I189 H191 Y273 L277	L94-Y167 HydrophobicContact CD1-CD2 4.39Å; L95-Y167 PolarHBondContact O-N 2.89Å; F96-Y167 CarbonylContact C-O 3.29Å; F96-Y167 WeakPolarHBondContact CA-O 3.43Å; F96-Y167 AromaticContact CD2-CD1 3.53Å; F96-Y167 HydrophobicContact CD2-CD1 3.53Å; F96-Y167 HydrophobicContact CD2-CD2 4.28Å; F96-Y167 HydrophobicContact CD2-CE1 4.21Å; F96-Y167 AromaticContact CD2-CG 3.62Å; F96-Y167 HydrophobicContact CD2-CG 3.62Å; F96-Y167 HydrophobicContact CE1-CD1 4.31Å; F96-Y167 AromaticContact CE2-CD1 3.18Å; F96-Y167 HydrophobicContact CE2-CD1 3.18Å; F96-Y167 HydrophobicContact CE2-CD2 4.12Å; F96-Y167 AromaticContact CE2-CE1 3.39Å; F96-Y167 HydrophobicContact CE2-CE1 3.39Å; F96-Y167 HydrophobicContact CE2-CE2 4.26Å; F96-Y167 AromaticContact CE2-CG 3.63Å; F96-Y167 HydrophobicContact CE2-CG 3.63Å; F96-Y167 AromaticContact CE2-CZ 3.95Å; F96-Y167 HydrophobicContact CG-CD1 4.23Å; F96-Y167 HydrophobicContact CG-CG 4.47Å; F96-Y167 AromaticContact CZ-CD1 3.62Å; F96-Y167 HydrophobicContact CZ-CD1 3.62Å; F96-Y167 AromaticContact CZ-CE1 3.61Å; F96-Y167 HydrophobicContact CZ-CE1 3.61Å; F96-Y167 HydrophobicContact CZ-CG 4.49Å; S97-Y167 PolarHBondContact N-O 3.2Å; I165-Y167 PolarHBondContact O-N 3.44Å; Y167-Q169 HydrophobicContact CE1-CB 4.34Å; Y167-I189 WeakPolarHBondContact CA-O 3.28Å; Y167-I189 HydrophobicContact CD2-CB 3.66Å; Y167-I189 HydrophobicContact CD2-CD1 3.76Å; Y167-I189 HydrophobicContact CD2-CG1 4.28Å; Y167-I189 HydrophobicContact CD2-CG2 3.71Å; Y167-I189 HydrophobicContact CE2-CB 3.96Å; Y167-I189 HydrophobicContact CE2-CD1 4.1Å; Y167-I189 HydrophobicContact CE2-CG2 3.44Å; Y167-I189 VanDerWaalsContact CE2-CG2 3.44Å; Y167-I189 HydrophobicContact CG-CB 4.15Å; Y167-I189 HydrophobicContact CG-CG2 4.39Å; Y167-H191 HydrophobicContact CE1-CB 3.74Å; Y167-H191 WeakPolarHBondContact OH-CB 3.29Å; Y167-H191 PolarHBondContact OH-ND1 2.88Å; Y167-Y273 WeakPolarHBondContact OH-CE2 3.48Å; Y167-Y273 PolarHBondContact OH-OH 2.94Å; Y167-L277 HydrophobicContact CE2-CD2 4.36Å
168	G	98.8	Very high	98.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.9	172.4	0	0	0	0	0	111.7	G172 T173 S176 I189 H191	G168-G172 WeakPolarHBondContact CA-O 3.28Å; G168-T173 WeakPolarHBondContact O-CG2 3.4Å; G168-S176 VanDerWaalsContact CA-OG 3.3Å; G168-S176 WeakPolarHBondContact CA-OG 3.44Å; G168-S176 PolarHBondContact N-OG 2.91Å; G168-I189 PolarHBondContact N-O 3.14Å; G168-H191 PolarHBondContact O-N 2.82Å
169	Q	98.6	Very high	98.3	Very high	24 Å²	24	19.6 Å²	19.6	11%	0.112	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.5	172	-178.8	175.6	22.9	0	0	111	F96 S97 G99 Y167 I171 G172 H191 E268	F96-Q169 HydrophobicContact CE1-CB 4.35Å; F96-Q169 HydrophobicContact CZ-CB 4.33Å; S97-Q169 PolarHBondContact O-N 2.95Å; G99-Q169 WeakPolarHBondContact CA-O 3.48Å; Y167-Q169 HydrophobicContact CE1-CB 4.34Å; Q169-I171 PolarHBondContact O-N 2.86Å; Q169-G172 WeakPolarHBondContact O-CA 3.44Å; Q169-G172 PolarHBondContact O-N 3.34Å; Q169-H191 CarbonylContact C-O 3.58Å; Q169-H191 WeakPolarHBondContact CA-O 3.44Å; Q169-H191 HydrophobicContact CB-CB 4.39Å; Q169-H191 HydrophobicContact CG-CB 4.48Å; Q169-E268 PolarHBondContact NE2-OE1 3.11Å
170	S	97.3	Very high	98.3	Very high	17 Å²	17	18.5 Å²	18.5	12%	0.119	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	51.7	-121	178.3	-174.8	0	0	0	0	110.6	G172 T173 H191 S192 L194 H264	S170-G172 PolarHBondContact O-N 3.15Å; S170-G172 VanDerWaalsContact O-N 3.13Å; S170-T173 WeakPolarHBondContact O-CB 3.21Å; S170-T173 WeakPolarHBondContact O-CG2 3.39Å; S170-T173 PolarHBondContact O-N 3.07Å; S170-T173 PolarHBondContact O-OG1 2.76Å; S170-H191 PolarHBondContact N-O 2.81Å; S170-S192 WeakPolarHBondContact CA-O 3.36Å; S170-L194 WeakPolarHBondContact O-CD2 3.36Å; S170-H264 VanDerWaalsContact CB-NE2 3.29Å; S170-H264 WeakPolarHBondContact CB-NE2 3.33Å; S170-H264 PolarHBondContact OG-CE1 3.02Å; S170-H264 PolarHBondContact OG-NE2 3.23Å
171	I	96.5	Very high	98.4	Very high	12 Å²	12	12.6 Å²	12.6	6%	0.062	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-56.1	-27.2	174.3	-162.3	166.2	0	0	0	113.8	A27 F28 N100 Y127 Q169 T173 V174 P175 F214	A27-I171 WeakPolarHBondContact O-CD1 3.29Å; F28-I171 HydrophobicContact CD1-CD1 3.7Å; F28-I171 HydrophobicContact CE1-CD1 3.45Å; F28-I171 VanDerWaalsContact CE1-CD1 3.45Å; F28-I171 HydrophobicContact CE1-CG1 4.35Å; F28-I171 HydrophobicContact CZ-CD1 4.12Å; N100-I171 HydrophobicContact CB-CG2 3.98Å; Y127-I171 HydrophobicContact CE2-CG2 4.38Å; Q169-I171 PolarHBondContact O-N 2.86Å; I171-T173 PolarHBondContact O-N 2.94Å; I171-V174 VanDerWaalsContact O-CB 3.27Å; I171-V174 WeakPolarHBondContact O-CB 3.43Å; I171-V174 VanDerWaalsContact O-CG2 3.27Å; I171-V174 WeakPolarHBondContact O-CG2 3.43Å; I171-V174 PolarHBondContact O-N 3.05Å; I171-P175 WeakPolarHBondContact O-CD 3.39Å; I171-F214 HydrophobicContact CD1-CE2 4.48Å; I171-F214 HydrophobicContact CD1-CZ 4.46Å
172	G	98.5	Very high	98.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-65.2	-15.3	174.7	0	0	0	0	0	114.2	S97 Y127 G168 Q169 S170 V174 P175 S176	S97-G172 WeakPolarHBondContact CB-O 3.24Å; Y127-G172 WeakPolarHBondContact OH-CA 3.44Å; G168-G172 WeakPolarHBondContact CA-O 3.28Å; Q169-G172 WeakPolarHBondContact O-CA 3.44Å; Q169-G172 PolarHBondContact O-N 3.34Å; S170-G172 PolarHBondContact O-N 3.15Å; S170-G172 VanDerWaalsContact O-N 3.13Å; G172-V174 PolarHBondContact O-N 3.2Å; G172-P175 VanDerWaalsContact O-CD 3.3Å; G172-P175 WeakPolarHBondContact O-CD 3.46Å; G172-P175 WeakPolarHBondContact O-CG 3.3Å; G172-S176 WeakPolarHBondContact O-CB 3.49Å; G172-S176 PolarHBondContact O-N 3.04Å; G172-S176 PolarHBondContact O-OG 2.57Å
173	T	98.8	Very high	98.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67.5	-24.2	171.3	63.5	0	0	0	0	112.1	G168 S170 I171 S176 V177 L190 P193 L194	G168-T173 WeakPolarHBondContact O-CG2 3.4Å; S170-T173 WeakPolarHBondContact O-CB 3.21Å; S170-T173 WeakPolarHBondContact O-CG2 3.39Å; S170-T173 PolarHBondContact O-N 3.07Å; S170-T173 PolarHBondContact O-OG1 2.76Å; I171-T173 PolarHBondContact O-N 2.94Å; T173-S176 PolarHBondContact O-N 3.46Å; T173-V177 WeakPolarHBondContact O-CB 3.4Å; T173-V177 VanDerWaalsContact O-CG2 3.3Å; T173-V177 WeakPolarHBondContact O-CG2 3.45Å; T173-V177 PolarHBondContact O-N 2.8Å; T173-L190 HydrophobicContact CG2-CB 4.29Å; T173-L190 HydrophobicContact CG2-CD2 4.18Å; T173-P193 HydrophobicContact CG2-CB 3.76Å; T173-L194 WeakPolarHBondContact OG1-CD2 3.16Å
174	V	98.4	Very high	98.3	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.5	-57.2	179.4	-178.8	0	0	0	0	113.3	L142 Y143 I171 G172 S176 D178 L194 F214 N216	L142-V174 HydrophobicContact CD2-CB 4.09Å; L142-V174 HydrophobicContact CD2-CG1 4.03Å; Y143-V174 HydrophobicContact CE1-CG1 3.81Å; I171-V174 VanDerWaalsContact O-CB 3.27Å; I171-V174 WeakPolarHBondContact O-CB 3.43Å; I171-V174 VanDerWaalsContact O-CG2 3.27Å; I171-V174 WeakPolarHBondContact O-CG2 3.43Å; I171-V174 PolarHBondContact O-N 3.05Å; G172-V174 PolarHBondContact O-N 3.2Å; V174-S176 PolarHBondContact O-N 2.84Å; V174-D178 WeakPolarHBondContact O-CB 3.48Å; V174-D178 PolarHBondContact O-N 3.19Å; V174-L194 HydrophobicContact CG2-CD1 4.39Å; V174-L194 HydrophobicContact CG2-CD2 3.63Å; V174-L194 HydrophobicContact CG2-CG 4.22Å; V174-F214 HydrophobicContact CB-CB 4.28Å; V174-F214 HydrophobicContact CB-CD1 4.45Å; V174-F214 HydrophobicContact CG1-CB 3.63Å; V174-F214 HydrophobicContact CG1-CD1 3.56Å; V174-F214 HydrophobicContact CG1-CE1 4.48Å; V174-F214 HydrophobicContact CG1-CG 3.88Å; V174-F214 HydrophobicContact CG2-CB 3.61Å; V174-F214 HydrophobicContact CG2-CD1 4.35Å; V174-F214 HydrophobicContact CG2-CG 3.95Å; V174-N216 WeakPolarHBondContact CA-OD1 3.15Å
175	P	98.7	Very high	98.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.1	-31.8	174.4	23.6	-31.8	0	0	0	111.9	Y127 L142 V146 I171 G172 D178 L179	Y127-P175 HydrophobicContact CE1-CG 4.39Å; L142-P175 HydrophobicContact CD1-CG 4.08Å; L142-P175 HydrophobicContact CD2-CG 4.34Å; L142-P175 HydrophobicContact CG-CB 4.13Å; L142-P175 HydrophobicContact CG-CG 3.94Å; V146-P175 HydrophobicContact CB-CB 3.64Å; V146-P175 HydrophobicContact CG1-CB 3.65Å; V146-P175 HydrophobicContact CG2-CB 4.03Å; I171-P175 WeakPolarHBondContact O-CD 3.39Å; G172-P175 VanDerWaalsContact O-CD 3.3Å; G172-P175 WeakPolarHBondContact O-CD 3.46Å; G172-P175 WeakPolarHBondContact O-CG 3.3Å; P175-D178 PolarHBondContact O-N 2.8Å; P175-L179 VanDerWaalsContact O-CB 3.31Å; P175-L179 WeakPolarHBondContact O-CB 3.3Å; P175-L179 PolarHBondContact O-N 2.86Å
176	S	98.9	Very high	98.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.4	-49.7	-179	-63.9	0	0	0	0	112.3	S97 G168 G172 T173 V174 L179 A180	S97-S176 PolarHBondContact OG-OG 3.11Å; G168-S176 VanDerWaalsContact CA-OG 3.3Å; G168-S176 WeakPolarHBondContact CA-OG 3.44Å; G168-S176 PolarHBondContact N-OG 2.91Å; G172-S176 WeakPolarHBondContact O-CB 3.49Å; G172-S176 PolarHBondContact O-N 3.04Å; G172-S176 PolarHBondContact O-OG 2.57Å; T173-S176 PolarHBondContact O-N 3.46Å; V174-S176 PolarHBondContact O-N 2.84Å; S176-L179 PolarHBondContact O-N 3.4Å; S176-A180 VanDerWaalsContact O-CB 3.27Å; S176-A180 WeakPolarHBondContact O-CB 3.46Å; S176-A180 PolarHBondContact O-N 2.64Å
177	V	98.8	Very high	98.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.9	-40.2	176.4	173.2	0	0	0	0	110.9	T173 A180 S181 L190 N216 K219 I220 V223	T173-V177 WeakPolarHBondContact O-CB 3.4Å; T173-V177 VanDerWaalsContact O-CG2 3.3Å; T173-V177 WeakPolarHBondContact O-CG2 3.45Å; T173-V177 PolarHBondContact O-N 2.8Å; V177-A180 PolarHBondContact O-N 3.12Å; V177-S181 VanDerWaalsContact O-CB 3.29Å; V177-S181 WeakPolarHBondContact O-CB 3.35Å; V177-S181 PolarHBondContact O-N 2.87Å; V177-S181 PolarHBondContact O-OG 2.83Å; V177-L190 HydrophobicContact CG2-CD1 3.76Å; V177-L190 HydrophobicContact CG2-CD2 3.71Å; V177-L190 HydrophobicContact CG2-CG 4.41Å; V177-N216 HydrophobicContact CG1-CB 4.4Å; V177-K219 HydrophobicContact CG1-CB 3.73Å; V177-I220 HydrophobicContact CG1-CB 4.41Å; V177-I220 HydrophobicContact CG1-CD1 4.34Å; V177-I220 HydrophobicContact CG2-CD1 4.21Å; V177-V223 HydrophobicContact CG1-CG2 4.45Å
178	D	98.8	Very high	98.3	Very high	20 Å²	20	21.4 Å²	21.4	11%	0.107	10%	0.103	C	C	.	.	H	α-helix	trans	-60	-47.1	176.2	-177.8	87.8	0	0	0	112.3	Y143 V174 P175 S181 R182 K219	Y143-D178 HydrophobicContact CD1-CB 3.64Å; Y143-D178 HydrophobicContact CE1-CB 3.48Å; Y143-D178 VanDerWaalsContact CE1-CB 3.48Å; V174-D178 WeakPolarHBondContact O-CB 3.48Å; V174-D178 PolarHBondContact O-N 3.19Å; P175-D178 PolarHBondContact O-N 2.8Å; D178-S181 PolarHBondContact O-N 2.99Å; D178-S181 PolarHBondContact O-OG 3.39Å; D178-R182 PolarHBondContact O-NE 3.35Å; D178-R182 IonicContact OD2-CZ 3.72Å; D178-R182 IonicContact OD2-NE 3.22Å; D178-R182 PolarHBondContact OD2-NE 3Å; D178-R182 IonicContact OD2-NH2 3.26Å; D178-R182 PolarHBondContact OD2-NH2 3.22Å; D178-K219 HydrophobicContact CB-CD 4.31Å; D178-K219 IonicContact OD1-NZ 2.71Å; D178-K219 PolarHBondContact OD1-NZ 2.75Å
179	L	98.8	Very high	98.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.5	-49.5	178	-174	75.4	0	0	0	111	L95 V146 W150 I166 P175 S176 S181 R182 Y183	L95-L179 HydrophobicContact CD2-CD2 3.63Å; V146-L179 HydrophobicContact CG1-CB 4.37Å; V146-L179 HydrophobicContact CG2-CB 4.27Å; V146-L179 HydrophobicContact CG2-CD2 3.97Å; W150-L179 HydrophobicContact CB-CD1 3.97Å; W150-L179 HydrophobicContact CB-CD2 3.99Å; W150-L179 HydrophobicContact CD2-CD1 4.45Å; W150-L179 HydrophobicContact CD2-CD2 3.99Å; W150-L179 HydrophobicContact CE3-CD2 3.8Å; W150-L179 HydrophobicContact CG-CD1 3.97Å; W150-L179 HydrophobicContact CG-CD2 4.11Å; W150-L179 HydrophobicContact CZ3-CD2 4.49Å; I166-L179 HydrophobicContact CD1-CD2 3.81Å; I166-L179 HydrophobicContact CD1-CG 4.25Å; I166-L179 HydrophobicContact CG1-CD2 4.31Å; P175-L179 VanDerWaalsContact O-CB 3.31Å; P175-L179 WeakPolarHBondContact O-CB 3.3Å; P175-L179 PolarHBondContact O-N 2.86Å; S176-L179 PolarHBondContact O-N 3.4Å; L179-S181 PolarHBondContact O-N 3.49Å; L179-R182 PolarHBondContact O-N 2.73Å; L179-Y183 HydrophobicContact CD1-CD2 3.57Å; L179-Y183 HydrophobicContact CD1-CE2 3.82Å; L179-Y183 HydrophobicContact CG-CD2 4.13Å; L179-Y183 PolarHBondContact O-N 2.94Å
180	A	98.8	Very high	98.3	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-67.2	-21.8	-178.2	0	0	0	0	0	113.6	I166 S176 V177 R182 V188 V223	I166-A180 HydrophobicContact CD1-CB 3.91Å; S176-A180 VanDerWaalsContact O-CB 3.27Å; S176-A180 WeakPolarHBondContact O-CB 3.46Å; S176-A180 PolarHBondContact O-N 2.64Å; V177-A180 PolarHBondContact O-N 3.12Å; A180-R182 PolarHBondContact O-N 3.05Å; A180-V188 HydrophobicContact CB-CG2 3.51Å; A180-V223 HydrophobicContact CB-CG1 3.97Å; A180-V223 HydrophobicContact CB-CG2 3.95Å
181	S	98.5	Very high	98.4	Very high	26 Å²	26	19.5 Å²	19.5	18%	0.182	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.9	172.7	75	0	0	0	0	113.6	V177 D178 L179	V177-S181 VanDerWaalsContact O-CB 3.29Å; V177-S181 WeakPolarHBondContact O-CB 3.35Å; V177-S181 PolarHBondContact O-N 2.87Å; V177-S181 PolarHBondContact O-OG 2.83Å; D178-S181 PolarHBondContact O-N 2.99Å; D178-S181 PolarHBondContact O-OG 3.39Å; L179-S181 PolarHBondContact O-N 3.49Å
182	R	98	Very high	98.5	Very high	102 Å²	102	19 Å²	19	39%	0.385	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-25.4	-177.3	-64.5	-178	-71.9	127.6	-3.2	113.2	D147 D178 L179 A180	D147-R182 IonicContact OD1-CZ 3.22Å; D147-R182 VanDerWaalsContact OD1-CZ 3.26Å; D147-R182 IonicContact OD1-NH1 3.4Å; D147-R182 PolarHBondContact OD1-NH1 3Å; D147-R182 IonicContact OD1-NH2 3.57Å; D147-R182 PolarHBondContact OD1-NH2 3.34Å; D147-R182 IonicContact OD2-NH1 3.73Å; D147-R182 IonicContact OD2-NH2 2.77Å; D178-R182 PolarHBondContact O-NE 3.35Å; D178-R182 IonicContact OD2-CZ 3.72Å; D178-R182 IonicContact OD2-NE 3.22Å; D178-R182 PolarHBondContact OD2-NE 3Å; D178-R182 IonicContact OD2-NH2 3.26Å; D178-R182 PolarHBondContact OD2-NH2 3.22Å; L179-R182 PolarHBondContact O-N 2.73Å; A180-R182 PolarHBondContact O-N 3.05Å
183	Y	97.4	Very high	98.5	Very high	80 Å²	80	19 Å²	19	31%	0.314	9%	0.09	S	C	.	.	S	Bend	trans	-132.7	138.1	-177.4	-59.4	-75.4	0	0	0	111	W150 L179	W150-Y183 HydrophobicContact CZ2-CG 4.33Å; W150-Y183 AromaticContact NE1-CD2 3.94Å; W150-Y183 AromaticContact NE1-CG 3.87Å; L179-Y183 HydrophobicContact CD1-CD2 3.57Å; L179-Y183 HydrophobicContact CD1-CE2 3.82Å; L179-Y183 HydrophobicContact CG-CD2 4.13Å; L179-Y183 PolarHBondContact O-N 2.94Å
184	E	96.2	Very high	98.4	Very high	138 Å²	138	19.5 Å²	19.5	65%	0.645	9%	0.093	S	C	*	.			trans	-73.2	145.3	168	-60.2	-167.2	145.4	0	0	110.6	P161 T224	P161-E184 WeakPolarHBondContact CB-O 3.38Å; E184-T224 WeakPolarHBondContact CG-OG1 3.39Å; E184-T224 PolarHBondContact OE1-OG1 2.84Å; E184-T224 VanDerWaalsContact OE1-OG1 3.1Å
185	S	98.1	Very high	98.3	Very high	12 Å²	12	19.8 Å²	19.8	8%	0.084	9%	0.094	C	C	.	.			trans	-140.1	173.4	177.2	63.2	0	0	0	0	109.1	P161 V164 A187 S225	P161-S185 WeakPolarHBondContact O-CA 3.43Å; V164-S185 WeakPolarHBondContact O-CB 3.29Å; S185-A187 PolarHBondContact O-N 2.94Å; S185-A187 PolarHBondContact OG-O 3.18Å; S185-S225 PolarHBondContact N-OG 3.31Å; S185-S225 PolarHBondContact O-OG 3.05Å; S185-S225 PolarHBondContact OG-OG 3.36Å
186	A	98.3	Very high	98.2	Very high	18 Å²	18	19.8 Å²	19.8	15%	0.149	9%	0.094	C	C	.	.	S	Bend	trans	-59	-40.8	174.2	0	0	0	0	0	111.5	Y92 P161 E162 V164 I165	Y92-A186 HydrophobicContact CD1-CB 3.97Å; Y92-A186 HydrophobicContact CE1-CB 3.85Å; P161-A186 PolarHBondContact O-N 3.05Å; E162-A186 WeakPolarHBondContact O-CB 3.35Å; V164-A186 WeakPolarHBondContact O-CA 3.24Å; V164-A186 WeakPolarHBondContact O-CB 3.2Å; V164-A186 PolarHBondContact O-N 3.2Å; I165-A186 HydrophobicContact CG1-CB 4.17Å
187	A	98.8	Very high	97.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	167.7	179.8	0	0	0	0	0	111.7	I165 I166 S185 P226 F280 L285	I165-A187 CarbonylContact C-O 3.44Å; I165-A187 WeakPolarHBondContact CA-O 3.36Å; I165-A187 HydrophobicContact CG1-CB 4.32Å; I165-A187 HydrophobicContact CG2-CB 4.22Å; I166-A187 PolarHBondContact N-O 2.73Å; S185-A187 PolarHBondContact O-N 2.94Å; S185-A187 PolarHBondContact OG-O 3.18Å; A187-P226 CarbonylContact C-O 3.56Å; A187-P226 WeakPolarHBondContact CA-O 3.46Å; A187-F280 HydrophobicContact CB-CE1 3.74Å; A187-F280 HydrophobicContact CB-CZ 3.61Å; A187-L285 HydrophobicContact CB-CD1 3.75Å; A187-L285 HydrophobicContact CB-CD2 3.7Å; A187-L285 HydrophobicContact CB-CG 4.37Å
188	V	98.9	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.9	168.9	-173.6	0	0	0	0	109.6	I166 A180 L190 V223 P226 V227 L228	I166-V188 HydrophobicContact CB-CG2 4.44Å; I166-V188 CarbonylContact O-C 3.57Å; I166-V188 VanDerWaalsContact O-CA 3.29Å; I166-V188 WeakPolarHBondContact O-CA 3.43Å; A180-V188 HydrophobicContact CB-CG2 3.51Å; V188-L190 HydrophobicContact CG1-CD2 3.61Å; V188-L190 HydrophobicContact CG1-CG 3.96Å; V188-V223 HydrophobicContact CG2-CG1 3.83Å; V188-P226 PolarHBondContact N-O 2.87Å; V188-V227 HydrophobicContact CB-CG1 4.25Å; V188-V227 HydrophobicContact CB-CG2 4.17Å; V188-V227 HydrophobicContact CG1-CG1 4.45Å; V188-V227 CarbonylContact O-C 3.56Å; V188-V227 WeakPolarHBondContact O-CA 3.31Å; V188-L228 PolarHBondContact O-N 3.08Å
189	I	98.9	Very high	97.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.8	170.4	-57.6	170.4	0	0	0	107.9	I165 I166 Y167 G168 L228 I230 L277 F280	I165-I189 HydrophobicContact CG2-CD1 3.61Å; I165-I189 HydrophobicContact CG2-CG1 3.85Å; I166-I189 PolarHBondContact O-N 2.82Å; Y167-I189 WeakPolarHBondContact CA-O 3.28Å; Y167-I189 HydrophobicContact CD2-CB 3.66Å; Y167-I189 HydrophobicContact CD2-CD1 3.76Å; Y167-I189 HydrophobicContact CD2-CG1 4.28Å; Y167-I189 HydrophobicContact CD2-CG2 3.71Å; Y167-I189 HydrophobicContact CE2-CB 3.96Å; Y167-I189 HydrophobicContact CE2-CD1 4.1Å; Y167-I189 HydrophobicContact CE2-CG2 3.44Å; Y167-I189 VanDerWaalsContact CE2-CG2 3.44Å; Y167-I189 HydrophobicContact CG-CB 4.15Å; Y167-I189 HydrophobicContact CG-CG2 4.39Å; G168-I189 PolarHBondContact N-O 3.14Å; I189-L228 WeakPolarHBondContact CA-O 3.21Å; I189-L228 HydrophobicContact CG1-CB 4.26Å; I189-L228 HydrophobicContact CG1-CD2 4.39Å; I189-L228 HydrophobicContact CG2-CD2 4.44Å; I189-I230 HydrophobicContact CG2-CD1 3.95Å; I189-I230 HydrophobicContact CG2-CG1 4.44Å; I189-L277 HydrophobicContact CD1-CD2 3.75Å; I189-L277 HydrophobicContact CG2-CD2 4.35Å; I189-F280 HydrophobicContact CD1-CD1 4.07Å; I189-F280 HydrophobicContact CD1-CE1 4.13Å; I189-F280 HydrophobicContact CG1-CD1 4.16Å; I189-F280 HydrophobicContact CG1-CE1 3.8Å
190	L	98.9	Very high	96.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	109.4	177.8	-58	-176.7	0	0	0	109.2	T173 V177 V188 P193 I220 V227 L228 L229 I230	T173-L190 HydrophobicContact CG2-CB 4.29Å; T173-L190 HydrophobicContact CG2-CD2 4.18Å; V177-L190 HydrophobicContact CG2-CD1 3.76Å; V177-L190 HydrophobicContact CG2-CD2 3.71Å; V177-L190 HydrophobicContact CG2-CG 4.41Å; V188-L190 HydrophobicContact CG1-CD2 3.61Å; V188-L190 HydrophobicContact CG1-CG 3.96Å; L190-P193 HydrophobicContact CB-CB 4.08Å; L190-P193 HydrophobicContact CB-CG 4.08Å; L190-I220 HydrophobicContact CD1-CD1 3.87Å; L190-V227 HydrophobicContact CD1-CG1 4.04Å; L190-V227 HydrophobicContact CG-CG1 4.13Å; L190-L228 PolarHBondContact N-O 3.2Å; L190-L229 HydrophobicContact CB-CG 4.37Å; L190-L229 WeakPolarHBondContact O-CA 3.49Å; L190-I230 PolarHBondContact O-N 2.98Å
191	H	98.8	Very high	96.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	118.1	-179	-176.2	-167.5	0	0	0	110.4	Y167 G168 Q169 S170 I230 I267 E268	Y167-H191 HydrophobicContact CE1-CB 3.74Å; Y167-H191 WeakPolarHBondContact OH-CB 3.29Å; Y167-H191 PolarHBondContact OH-ND1 2.88Å; G168-H191 PolarHBondContact O-N 2.82Å; Q169-H191 CarbonylContact C-O 3.58Å; Q169-H191 WeakPolarHBondContact CA-O 3.44Å; Q169-H191 HydrophobicContact CB-CB 4.39Å; Q169-H191 HydrophobicContact CG-CB 4.48Å; S170-H191 PolarHBondContact N-O 2.81Å; H191-I230 WeakPolarHBondContact CA-O 3.45Å; H191-I267 WeakPolarHBondContact NE2-CB 3.35Å; H191-I267 VanDerWaalsContact NE2-CD1 3.28Å; H191-I267 WeakPolarHBondContact NE2-CD1 3.21Å; H191-I267 VanDerWaalsContact NE2-CG2 3.31Å; H191-I267 WeakPolarHBondContact NE2-CG2 3.37Å; H191-E268 VanDerWaalsContact CE1-CD 3.44Å; H191-E268 IonicContact CE1-OE1 3.2Å; H191-E268 PolarHBondContact CE1-OE1 3.39Å; H191-E268 IonicContact CE1-OE2 3.76Å; H191-E268 IonicContact ND1-OE1 3.71Å
192	S	98.5	Very high	95.5	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	15%	0.154	C	C	.	.	S	Bend	trans	46.5	54.1	-173.4	-54.8	0	0	0	0	113.1	S170 I230 I267	S170-S192 WeakPolarHBondContact CA-O 3.36Å; S192-I230 PolarHBondContact N-O 3.44Å; S192-I267 VanDerWaalsContact OG-CD1 3.24Å; S192-I267 WeakPolarHBondContact OG-CD1 3.41Å
193	P	98.5	Very high	95	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.			trans	-72	148.4	-173.4	31.4	-37.6	0	0	0	113	T173 L190 L229 H231 I238 H242 L246	T173-P193 HydrophobicContact CG2-CB 3.76Å; L190-P193 HydrophobicContact CB-CB 4.08Å; L190-P193 HydrophobicContact CB-CG 4.08Å; P193-L229 HydrophobicContact CG-CD2 4.25Å; P193-H231 WeakPolarHBondContact CD-ND1 3.47Å; P193-I238 WeakPolarHBondContact O-CG2 3.22Å; P193-H242 VanDerWaalsContact O-CB 3.23Å; P193-H242 WeakPolarHBondContact O-CB 3.12Å; P193-L246 HydrophobicContact CB-CD1 3.53Å; P193-L246 HydrophobicContact CG-CD1 3.78Å
194	L	97.2	Very high	94.6	Very high	12 Å²	12	31.7 Å²	31.7	6%	0.063	18%	0.183	C	C	.	.			trans	-95.6	145.6	165.2	66.8	170.3	0	0	0	111.6	S170 T173 V174 V200 F214 N216 I238	S170-L194 WeakPolarHBondContact O-CD2 3.36Å; T173-L194 WeakPolarHBondContact OG1-CD2 3.16Å; V174-L194 HydrophobicContact CG2-CD1 4.39Å; V174-L194 HydrophobicContact CG2-CD2 3.63Å; V174-L194 HydrophobicContact CG2-CG 4.22Å; L194-V200 HydrophobicContact CB-CG2 3.71Å; L194-V200 HydrophobicContact CD1-CG2 4.08Å; L194-F214 HydrophobicContact CD1-CD2 4.36Å; L194-N216 WeakPolarHBondContact O-CB 3.3Å; L194-N216 PolarHBondContact O-ND2 3.31Å; L194-I238 HydrophobicContact CB-CD1 4.24Å; L194-I238 HydrophobicContact CB-CG2 4.06Å
195	T	97.3	Very high	94.2	Very high	5 Å²	5	26 Å²	26	3%	0.031	16%	0.158	C	C	.	.	S	Bend	trans	-77.9	-37.5	173	55.9	0	0	0	0	112.1	R199 P215 N216 I217 H242 A245 L246	T195-R199 WeakPolarHBondContact OG1-CB 3.35Å; T195-R199 WeakPolarHBondContact OG1-CD 3.49Å; T195-P215 CarbonylContact O-C 3.54Å; T195-N216 PolarHBondContact O-N 3.27Å; T195-I217 HydrophobicContact CG2-CD1 3.9Å; T195-I217 PolarHBondContact O-N 2.75Å; T195-H242 HydrophobicContact CG2-CB 3.95Å; T195-H242 WeakPolarHBondContact CG2-O 3.39Å; T195-H242 PolarHBondContact N-ND1 2.88Å; T195-H242 PolarHBondContact OG1-CE1 3.47Å; T195-H242 VanDerWaalsContact OG1-CE1 3.27Å; T195-H242 PolarHBondContact OG1-ND1 2.96Å; T195-A245 HydrophobicContact CG2-CB 3.97Å; T195-L246 HydrophobicContact CG2-CD1 4.48Å; T195-L246 HydrophobicContact CG2-CD2 4.23Å; T195-L246 HydrophobicContact CG2-CG 3.92Å
196	S	95.8	Very high	93.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.188	C	C	.	.			trans	-174	157.2	176.8	59.2	0	0	0	0	110.4	M198 R199 V200 D212 F214	S196-M198 PolarHBondContact O-N 2.94Å; S196-R199 PolarHBondContact O-N 3.24Å; S196-R199 VanDerWaalsContact OG-CB 3.27Å; S196-R199 WeakPolarHBondContact OG-CB 3.28Å; S196-R199 VanDerWaalsContact OG-CD 3.29Å; S196-R199 WeakPolarHBondContact OG-CD 3.18Å; S196-R199 WeakPolarHBondContact OG-CG 3.39Å; S196-R199 PolarHBondContact OG-N 3.25Å; S196-R199 PolarHBondContact OG-NH1 3.35Å; S196-V200 WeakPolarHBondContact O-CG2 3.28Å; S196-V200 PolarHBondContact O-N 2.93Å; S196-D212 WeakPolarHBondContact CB-OD1 3.07Å; S196-D212 VanDerWaalsContact CB-OD2 3.29Å; S196-D212 WeakPolarHBondContact CB-OD2 3.45Å; S196-D212 PolarHBondContact OG-OD2 3.2Å; S196-F214 WeakPolarHBondContact CA-O 3.4Å
197	G	90.4	Very high	93.3	Very high	21 Å²	21	39.6 Å²	39.6	22%	0.216	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-39.8	177.6	0	0	0	0	0	113.5	R199 V200 A201 A213	G197-R199 VanDerWaalsContact C-N 3.35Å; G197-R199 PolarHBondContact O-N 2.76Å; G197-V200 PolarHBondContact O-N 3.01Å; G197-A201 PolarHBondContact O-N 2.81Å; G197-A201 VanDerWaalsContact O-N 3.1Å; G197-A213 PolarHBondContact N-O 3.22Å
198	M	89.6	Confident	92.8	Very high	13 Å²	13	41.8 Å²	41.8	6%	0.064	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-37.1	176.3	-75.4	-69.4	-62.7	0	0	112.5	S196 V200 A201 F202 T205 F211 D212	S196-M198 PolarHBondContact O-N 2.94Å; M198-V200 VanDerWaalsContact C-N 3.31Å; M198-A201 PolarHBondContact O-N 2.82Å; M198-F202 HydrophobicContact CE-CD2 3.59Å; M198-F202 HydrophobicContact CE-CE2 4.02Å; M198-F202 CarbonylContact O-C 3.55Å; M198-F202 WeakPolarHBondContact O-CA 3.19Å; M198-F202 WeakPolarHBondContact O-CB 3.4Å; M198-F202 PolarHBondContact O-N 2.84Å; M198-F202 HydrophobicContact SD-CD2 4.05Å; M198-F202 HydrophobicContact SD-CE2 4.16Å; M198-T205 HydrophobicContact CB-CG2 4.22Å; M198-F211 HydrophobicContact CE-CE2 4.05Å; M198-F211 HydrophobicContact SD-CD2 4.36Å; M198-F211 HydrophobicContact SD-CE2 4.08Å; M198-D212 HydrophobicContact CB-CB 4.41Å; M198-D212 WeakPolarHBondContact CB-OD1 3.26Å; M198-D212 HydrophobicContact CG-CB 3.94Å; M198-D212 VanDerWaalsContact CG-OD1 3.23Å; M198-D212 WeakPolarHBondContact CG-OD1 3.37Å; M198-D212 PolarHBondContact N-OD1 3.02Å
199	R	93.6	Very high	92.1	Very high	29 Å²	29	45.7 Å²	45.7	11%	0.109	24%	0.241	C	C	.	.	H	α-helix	trans	-70	-29.1	177.9	-72.5	172.1	-177.6	85.7	-9.6	112.7	T195 S196 G197 F202 P203 T205 K206 K207 T208 D212	T195-R199 WeakPolarHBondContact OG1-CB 3.35Å; T195-R199 WeakPolarHBondContact OG1-CD 3.49Å; S196-R199 PolarHBondContact O-N 3.24Å; S196-R199 VanDerWaalsContact OG-CB 3.27Å; S196-R199 WeakPolarHBondContact OG-CB 3.28Å; S196-R199 VanDerWaalsContact OG-CD 3.29Å; S196-R199 WeakPolarHBondContact OG-CD 3.18Å; S196-R199 WeakPolarHBondContact OG-CG 3.39Å; S196-R199 PolarHBondContact OG-N 3.25Å; S196-R199 PolarHBondContact OG-NH1 3.35Å; G197-R199 VanDerWaalsContact C-N 3.35Å; G197-R199 PolarHBondContact O-N 2.76Å; R199-F202 CarbonylContact O-C 3.56Å; R199-P203 VanDerWaalsContact O-CA 3.27Å; R199-P203 WeakPolarHBondContact O-CA 3.49Å; R199-T205 HydrophobicContact CG-CG2 4.06Å; R199-T205 WeakPolarHBondContact CG-O 3.37Å; R199-T205 PolarHBondContact NE-O 2.98Å; R199-T205 VanDerWaalsContact NE-O 3.11Å; R199-K206 PolarHBondContact NH2-O 3.45Å; R199-K207 VanDerWaalsContact NH2-C 3.27Å; R199-T208 PolarHBondContact NH1-OG1 2.49Å; R199-T208 PolarHBondContact NH2-OG1 2.77Å; R199-D212 IonicContact NH1-OD2 3.34Å; R199-D212 PolarHBondContact NH1-OD2 3.45Å
200	V	89.5	Confident	91.3	Very high	51 Å²	51	52.1 Å²	52.1	31%	0.309	28%	0.284	S	S	.	.	H	α-helix	trans	-68.5	-48.2	171.7	174.2	0	0	0	0	110.3	L194 S196 G197 M198 I238	L194-V200 HydrophobicContact CB-CG2 3.71Å; L194-V200 HydrophobicContact CD1-CG2 4.08Å; S196-V200 WeakPolarHBondContact O-CG2 3.28Å; S196-V200 PolarHBondContact O-N 2.93Å; G197-V200 PolarHBondContact O-N 3.01Å; M198-V200 VanDerWaalsContact C-N 3.31Å; V200-I238 HydrophobicContact CB-CD1 4.29Å; V200-I238 HydrophobicContact CG1-CD1 3.69Å; V200-I238 HydrophobicContact CG2-CD1 3.53Å
201	A	86.4	Confident	90.5	Very high	64 Å²	64	54.1 Å²	54.1	53%	0.529	29%	0.293	S	S	.	.	H	α-helix	trans	-73.5	-29.4	-178.8	0	0	0	0	0	113.5	G197 M198	G197-A201 PolarHBondContact O-N 2.81Å; G197-A201 VanDerWaalsContact O-N 3.1Å; M198-A201 PolarHBondContact O-N 2.82Å
202	F	87.6	Confident	89.9	Confident	74 Å²	74	54.6 Å²	54.6	33%	0.325	30%	0.296	S	S	.	.			trans	-139.7	85.3	-176.1	-51.8	-76.1	0	0	0	109.7	L9 M198 R199 D204 T205	L9-F202 HydrophobicContact CD1-CE1 3.63Å; L9-F202 HydrophobicContact CD1-CE2 3.75Å; L9-F202 HydrophobicContact CD1-CZ 3.12Å; L9-F202 HydrophobicContact CD2-CE2 4.11Å; L9-F202 HydrophobicContact CD2-CZ 3.82Å; L9-F202 HydrophobicContact CG-CZ 4.09Å; M198-F202 HydrophobicContact CE-CD2 3.59Å; M198-F202 HydrophobicContact CE-CE2 4.02Å; M198-F202 CarbonylContact O-C 3.55Å; M198-F202 WeakPolarHBondContact O-CA 3.19Å; M198-F202 WeakPolarHBondContact O-CB 3.4Å; M198-F202 PolarHBondContact O-N 2.84Å; M198-F202 HydrophobicContact SD-CD2 4.05Å; M198-F202 HydrophobicContact SD-CE2 4.16Å; R199-F202 CarbonylContact O-C 3.56Å; F202-D204 PolarHBondContact O-N 3.18Å; F202-T205 WeakPolarHBondContact CB-OG1 3.5Å; F202-T205 VanDerWaalsContact O-CB 3.23Å; F202-T205 WeakPolarHBondContact O-CB 3.34Å; F202-T205 PolarHBondContact O-N 3.45Å; F202-T205 PolarHBondContact O-OG1 2.96Å
203	P	87.1	Confident	89.4	Confident	89 Å²	89	55.8 Å²	55.8	58%	0.578	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-27.4	-174.2	-30.2	37.1	0	0	0	115.3	R199 T205	R199-P203 VanDerWaalsContact O-CA 3.27Å; R199-P203 WeakPolarHBondContact O-CA 3.49Å; P203-T205 PolarHBondContact O-N 2.9Å
204	D	88.1	Confident	89.1	Confident	139 Å²	139	56.4 Å²	56.4	74%	0.743	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-2.7	177.8	-68.2	-43.9	0	0	0	114.4	F202 K206	F202-D204 PolarHBondContact O-N 3.18Å; D204-K206 WeakPolarHBondContact O-CE 3.43Å; D204-K206 WeakPolarHBondContact O-CG 3.43Å; D204-K206 PolarHBondContact O-N 3.31Å
205	T	87.4	Confident	89	Confident	19 Å²	19	56.8 Å²	56.8	12%	0.117	31%	0.312	C	S	.	.			trans	-64.4	106.7	-180	-62.8	0	0	0	0	111.8	M198 R199 F202 P203 K207 Y209	M198-T205 HydrophobicContact CB-CG2 4.22Å; R199-T205 HydrophobicContact CG-CG2 4.06Å; R199-T205 WeakPolarHBondContact CG-O 3.37Å; R199-T205 PolarHBondContact NE-O 2.98Å; R199-T205 VanDerWaalsContact NE-O 3.11Å; F202-T205 WeakPolarHBondContact CB-OG1 3.5Å; F202-T205 VanDerWaalsContact O-CB 3.23Å; F202-T205 WeakPolarHBondContact O-CB 3.34Å; F202-T205 PolarHBondContact O-N 3.45Å; F202-T205 PolarHBondContact O-OG1 2.96Å; P203-T205 PolarHBondContact O-N 2.9Å; T205-K207 VanDerWaalsContact CG2-O 3.23Å; T205-K207 WeakPolarHBondContact CG2-O 3.49Å; T205-Y209 HydrophobicContact CG2-CD2 4.29Å; T205-Y209 HydrophobicContact CG2-CE2 3.97Å
206	K	88.3	Confident	89	Confident	165 Å²	165	56.6 Å²	56.6	72%	0.717	31%	0.31	S	S	*	.			trans	-90.6	-22	-179.1	-54.4	-51.5	177	-169.9	0	114.6	R199 D204	R199-K206 PolarHBondContact NH2-O 3.45Å; D204-K206 WeakPolarHBondContact O-CE 3.43Å; D204-K206 WeakPolarHBondContact O-CG 3.43Å; D204-K206 PolarHBondContact O-N 3.31Å
207	K	89	Confident	89	Confident	149 Å²	149	57.2 Å²	57.2	65%	0.648	31%	0.313	S	S	*	.	S	Bend	trans	-116	148.4	-176.7	-61.1	-177	-178	178	0	110.7	R199 T205	R199-K207 VanDerWaalsContact NH2-C 3.27Å; T205-K207 VanDerWaalsContact CG2-O 3.23Å; T205-K207 WeakPolarHBondContact CG2-O 3.49Å
208	T	90	Very high	89.3	Confident	46 Å²	46	60 Å²	60	28%	0.282	32%	0.323	S	S	.	.			trans	-83.4	121.1	170.3	-48.9	0	0	0	0	108.9	R199 D212 P215 D218	R199-T208 PolarHBondContact NH1-OG1 2.49Å; R199-T208 PolarHBondContact NH2-OG1 2.77Å; T208-D212 HydrophobicContact CG2-CB 3.96Å; T208-P215 HydrophobicContact CG2-CB 3.7Å; T208-D218 WeakPolarHBondContact CB-OD2 3.34Å; T208-D218 VanDerWaalsContact CG2-OD2 3.26Å; T208-D218 WeakPolarHBondContact CG2-OD2 3.42Å; T208-D218 PolarHBondContact OG1-OD1 3.16Å
209	Y	84.3	Confident	89.7	Confident	82 Å²	82	60.8 Å²	60.8	32%	0.322	33%	0.327	S	S	.	.			trans	-93.3	158.7	178.3	-63.3	-77.7	0	0	0	110.8	T205 F211 D212	T205-Y209 HydrophobicContact CG2-CD2 4.29Å; T205-Y209 HydrophobicContact CG2-CE2 3.97Å; Y209-F211 HydrophobicContact CD1-CZ 4.28Å; Y209-F211 HydrophobicContact CD2-CE2 4.45Å; Y209-F211 HydrophobicContact CD2-CZ 4.3Å; Y209-F211 HydrophobicContact CG-CE1 4.28Å; Y209-F211 HydrophobicContact CG-CE2 4.27Å; Y209-F211 AromaticContact CG-CZ 3.82Å; Y209-F211 HydrophobicContact CG-CZ 3.82Å; Y209-F211 PolarHBondContact O-N 2.93Å; Y209-F211 VanDerWaalsContact O-N 3.09Å; Y209-D212 WeakPolarHBondContact O-CB 3.2Å; Y209-D212 PolarHBondContact O-N 3.25Å
210	C	82.2	Confident	89.9	Confident	135 Å²	135	59.5 Å²	59.5	91%	0.912	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.5	-178.6	60.3	0	0	0	0	114.5
211	F	81.5	Confident	90.3	Very high	43 Å²	43	59.6 Å²	59.6	19%	0.189	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	6.2	175.8	53.8	-99.8	0	0	0	112.7	F13 M198 Y209 A213	F13-F211 HydrophobicContact CB-CB 4.22Å; F13-F211 HydrophobicContact CB-CD2 4.15Å; F13-F211 HydrophobicContact CB-CG 4.15Å; F13-F211 HydrophobicContact CG-CD2 4.32Å; M198-F211 HydrophobicContact CE-CE2 4.05Å; M198-F211 HydrophobicContact SD-CD2 4.36Å; M198-F211 HydrophobicContact SD-CE2 4.08Å; Y209-F211 HydrophobicContact CD1-CZ 4.28Å; Y209-F211 HydrophobicContact CD2-CE2 4.45Å; Y209-F211 HydrophobicContact CD2-CZ 4.3Å; Y209-F211 HydrophobicContact CG-CE1 4.28Å; Y209-F211 HydrophobicContact CG-CE2 4.27Å; Y209-F211 AromaticContact CG-CZ 3.82Å; Y209-F211 HydrophobicContact CG-CZ 3.82Å; Y209-F211 PolarHBondContact O-N 2.93Å; Y209-F211 VanDerWaalsContact O-N 3.09Å; F211-A213 PolarHBondContact O-N 2.82Å
212	D	85.6	Confident	90.9	Very high	10 Å²	10	62.5 Å²	62.5	5%	0.053	33%	0.325	C	S	.	.			trans	-71.5	118.4	176	-164.7	-0.6	0	0	0	109.6	S196 M198 R199 T208 Y209	S196-D212 WeakPolarHBondContact CB-OD1 3.07Å; S196-D212 VanDerWaalsContact CB-OD2 3.29Å; S196-D212 WeakPolarHBondContact CB-OD2 3.45Å; S196-D212 PolarHBondContact OG-OD2 3.2Å; M198-D212 HydrophobicContact CB-CB 4.41Å; M198-D212 WeakPolarHBondContact CB-OD1 3.26Å; M198-D212 HydrophobicContact CG-CB 3.94Å; M198-D212 VanDerWaalsContact CG-OD1 3.23Å; M198-D212 WeakPolarHBondContact CG-OD1 3.37Å; M198-D212 PolarHBondContact N-OD1 3.02Å; R199-D212 IonicContact NH1-OD2 3.34Å; R199-D212 PolarHBondContact NH1-OD2 3.45Å; T208-D212 HydrophobicContact CG2-CB 3.96Å; Y209-D212 WeakPolarHBondContact O-CB 3.2Å; Y209-D212 PolarHBondContact O-N 3.25Å
213	A	88.6	Confident	91.4	Very high	25 Å²	25	59 Å²	59	21%	0.207	31%	0.31	C	S	.	.	S	Bend	trans	-77.9	145.3	178.5	0	0	0	0	0	109.9	G197 F211	G197-A213 PolarHBondContact N-O 3.22Å; F211-A213 PolarHBondContact O-N 2.82Å
214	F	91.9	Very high	91.9	Very high	13 Å²	13	57.5 Å²	57.5	6%	0.057	30%	0.299	C	S	.	.			trans	59.7	46.5	169.7	-40.6	-49.6	0	0	0	115.6	A27 F28 E139 L142 I171 V174 L194 S196 N216	A27-F214 HydrophobicContact CB-CE2 3.86Å; A27-F214 HydrophobicContact CB-CZ 4.17Å; F28-F214 HydrophobicContact CE2-CE1 4.36Å; F28-F214 AromaticContact CE2-CZ 3.79Å; F28-F214 HydrophobicContact CE2-CZ 3.79Å; F28-F214 AromaticContact CZ-CE1 3.9Å; F28-F214 HydrophobicContact CZ-CE1 3.9Å; F28-F214 AromaticContact CZ-CZ 3.59Å; F28-F214 HydrophobicContact CZ-CZ 3.59Å; E139-F214 HydrophobicContact CB-CD1 4.01Å; E139-F214 HydrophobicContact CB-CE1 3.53Å; E139-F214 HydrophobicContact CG-CD1 3.65Å; E139-F214 HydrophobicContact CG-CE1 3.72Å; E139-F214 VanDerWaalsContact OE1-CA 3.3Å; E139-F214 WeakPolarHBondContact OE1-CA 3.37Å; E139-F214 PolarHBondContact OE1-N 3.38Å; L142-F214 HydrophobicContact CD2-CE1 4.23Å; I171-F214 HydrophobicContact CD1-CE2 4.48Å; I171-F214 HydrophobicContact CD1-CZ 4.46Å; V174-F214 HydrophobicContact CB-CB 4.28Å; V174-F214 HydrophobicContact CB-CD1 4.45Å; V174-F214 HydrophobicContact CG1-CB 3.63Å; V174-F214 HydrophobicContact CG1-CD1 3.56Å; V174-F214 HydrophobicContact CG1-CE1 4.48Å; V174-F214 HydrophobicContact CG1-CG 3.88Å; V174-F214 HydrophobicContact CG2-CB 3.61Å; V174-F214 HydrophobicContact CG2-CD1 4.35Å; V174-F214 HydrophobicContact CG2-CG 3.95Å; L194-F214 HydrophobicContact CD1-CD2 4.36Å; S196-F214 WeakPolarHBondContact CA-O 3.4Å; F214-N216 PolarHBondContact O-N 3.01Å
215	P	94.2	Very high	92.4	Very high	21 Å²	21	51.1 Å²	51.1	14%	0.136	27%	0.266	C	S	.	.			trans	-74.1	69.9	-173.5	33.8	-38.2	0	0	0	112.5	T195 T208 I217 D218	T195-P215 CarbonylContact O-C 3.54Å; T208-P215 HydrophobicContact CG2-CB 3.7Å; P215-I217 PolarHBondContact O-N 3.2Å; P215-D218 HydrophobicContact CB-CB 4.41Å; P215-D218 PolarHBondContact O-N 3.14Å; P215-D218 VanDerWaalsContact O-N 3.1Å
216	N	97.4	Very high	92.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-56.2	-33.6	175.1	-76.5	-17.5	0	0	0	111.9	V174 V177 L194 T195 F214 D218 K219 I220 L246	V174-N216 WeakPolarHBondContact CA-OD1 3.15Å; V177-N216 HydrophobicContact CG1-CB 4.4Å; L194-N216 WeakPolarHBondContact O-CB 3.3Å; L194-N216 PolarHBondContact O-ND2 3.31Å; T195-N216 PolarHBondContact O-N 3.27Å; F214-N216 PolarHBondContact O-N 3.01Å; N216-D218 PolarHBondContact O-N 3.05Å; N216-K219 PolarHBondContact O-N 2.96Å; N216-I220 PolarHBondContact O-N 3.33Å; N216-L246 HydrophobicContact CB-CD2 4.25Å
217	I	97.1	Very high	93.4	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.067	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-57.7	-29.4	177.9	-160.6	71.2	0	0	0	113.4	T195 P215 A245 L246 R249	T195-I217 HydrophobicContact CG2-CD1 3.9Å; T195-I217 PolarHBondContact O-N 2.75Å; P215-I217 PolarHBondContact O-N 3.2Å; I217-A245 HydrophobicContact CD1-CB 4.35Å; I217-L246 HydrophobicContact CD1-CD2 4Å; I217-R249 VanDerWaalsContact CD1-CD 3.4Å
218	D	96.3	Very high	93.9	Very high	80 Å²	80	36.6 Å²	36.6	43%	0.428	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-87.5	-10.5	179.2	-66.3	-3	0	0	0	112.4	T208 P215 N216	T208-D218 WeakPolarHBondContact CB-OD2 3.34Å; T208-D218 VanDerWaalsContact CG2-OD2 3.26Å; T208-D218 WeakPolarHBondContact CG2-OD2 3.42Å; T208-D218 PolarHBondContact OG1-OD1 3.16Å; P215-D218 HydrophobicContact CB-CB 4.41Å; P215-D218 PolarHBondContact O-N 3.14Å; P215-D218 VanDerWaalsContact O-N 3.1Å; N216-D218 PolarHBondContact O-N 3.05Å
219	K	97.9	Very high	94.3	Very high	30 Å²	30	34.4 Å²	34.4	13%	0.13	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-30.6	-173.5	-61.3	-176.8	-171.4	-175.1	0	113.3	Y143 V177 D178 N216 S221 K222	Y143-K219 PolarHBondContact OH-NZ 3.43Å; V177-K219 HydrophobicContact CG1-CB 3.73Å; D178-K219 HydrophobicContact CB-CD 4.31Å; D178-K219 IonicContact OD1-NZ 2.71Å; D178-K219 PolarHBondContact OD1-NZ 2.75Å; N216-K219 PolarHBondContact O-N 2.96Å; K219-S221 PolarHBondContact O-N 3.27Å; K219-K222 WeakPolarHBondContact O-CB 3.17Å; K219-K222 PolarHBondContact O-N 3.42Å
220	I	98.4	Very high	95	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-58.9	-33.1	-172.2	-169.1	60.5	0	0	0	113.4	V177 L190 N216 K222 V223 L246 R249 C250	V177-I220 HydrophobicContact CG1-CB 4.41Å; V177-I220 HydrophobicContact CG1-CD1 4.34Å; V177-I220 HydrophobicContact CG2-CD1 4.21Å; L190-I220 HydrophobicContact CD1-CD1 3.87Å; N216-I220 PolarHBondContact O-N 3.33Å; I220-K222 PolarHBondContact O-N 3.31Å; I220-K222 VanDerWaalsContact O-N 3.13Å; I220-V223 HydrophobicContact CD1-CG2 4.17Å; I220-V223 WeakPolarHBondContact O-CB 3.33Å; I220-V223 PolarHBondContact O-N 3.17Å; I220-V223 VanDerWaalsContact O-N 3.12Å; I220-L246 HydrophobicContact CB-CD2 3.97Å; I220-L246 HydrophobicContact CG1-CB 4.49Å; I220-L246 HydrophobicContact CG1-CD2 4.28Å; I220-L246 HydrophobicContact CG2-CD2 3.78Å; I220-R249 HydrophobicContact CG2-CB 3.75Å; I220-C250 HydrophobicContact CG1-CB 4.41Å
221	S	97.6	Very high	95.8	Very high	53 Å²	53	24.1 Å²	24.1	37%	0.371	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-70.7	-4.5	178	59.4	0	0	0	0	114.3	K219 Q251	K219-S221 PolarHBondContact O-N 3.27Å; S221-Q251 VanDerWaalsContact O-CG 3.22Å; S221-Q251 WeakPolarHBondContact O-CG 3.41Å; S221-Q251 PolarHBondContact O-NE2 3.1Å; S221-Q251 VanDerWaalsContact O-NE2 3.12Å; S221-Q251 PolarHBondContact O-OE1 3.47Å
222	K	98.3	Very high	96.6	Very high	126 Å²	126	22 Å²	22	55%	0.548	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-100.2	-6	174.5	-58.6	174.6	-175.1	171.3	0	112.5	K219 I220 T224	K219-K222 WeakPolarHBondContact O-CB 3.17Å; K219-K222 PolarHBondContact O-N 3.42Å; I220-K222 PolarHBondContact O-N 3.31Å; I220-K222 VanDerWaalsContact O-N 3.13Å; K222-T224 PolarHBondContact O-N 3.39Å
223	V	98.6	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.			trans	-77.7	113	177.7	179	0	0	0	0	108.4	V177 A180 V188 I220 V227	V177-V223 HydrophobicContact CG1-CG2 4.45Å; A180-V223 HydrophobicContact CB-CG1 3.97Å; A180-V223 HydrophobicContact CB-CG2 3.95Å; V188-V223 HydrophobicContact CG2-CG1 3.83Å; I220-V223 HydrophobicContact CD1-CG2 4.17Å; I220-V223 WeakPolarHBondContact O-CB 3.33Å; I220-V223 PolarHBondContact O-N 3.17Å; I220-V223 VanDerWaalsContact O-N 3.12Å; V223-V227 HydrophobicContact CB-CG2 4.44Å; V223-V227 HydrophobicContact CG1-CG2 3.66Å
224	T	97.6	Very high	97.7	Very high	57 Å²	57	27.7 Å²	27.7	35%	0.35	15%	0.147	S	C	.	.			trans	-91.7	-17.3	-179.4	57.8	0	0	0	0	113.1	E184 K222 H252	E184-T224 WeakPolarHBondContact CG-OG1 3.39Å; E184-T224 PolarHBondContact OE1-OG1 2.84Å; E184-T224 VanDerWaalsContact OE1-OG1 3.1Å; K222-T224 PolarHBondContact O-N 3.39Å; T224-H252 PolarHBondContact O-CD2 3.25Å
225	S	98.3	Very high	97.9	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.042	15%	0.146	C	C	.	.	S	Bend	trans	-72.2	154	175.4	-53.9	0	0	0	0	111.7	S185 V227	S185-S225 PolarHBondContact N-OG 3.31Å; S185-S225 PolarHBondContact O-OG 3.05Å; S185-S225 PolarHBondContact OG-OG 3.36Å; S225-V227 VanDerWaalsContact O-CG2 3.27Å; S225-V227 WeakPolarHBondContact O-CG2 3.44Å; S225-V227 PolarHBondContact O-N 2.66Å
226	P	98.4	Very high	97.8	Very high	28 Å²	28	34.8 Å²	34.8	18%	0.182	18%	0.179	C	C	.	.			trans	-55.6	133.6	172.1	-24	33.5	0	0	0	111.6	A187 V188 H252 V254 L285 L288	A187-P226 CarbonylContact C-O 3.56Å; A187-P226 WeakPolarHBondContact CA-O 3.46Å; V188-P226 PolarHBondContact N-O 2.87Å; P226-H252 WeakPolarHBondContact CA-O 3.28Å; P226-V254 HydrophobicContact CB-CG1 4.05Å; P226-L285 HydrophobicContact CB-CD2 4.44Å; P226-L288 HydrophobicContact CB-CD1 3.93Å; P226-L288 HydrophobicContact CG-CD1 3.6Å
227	V	98.8	Very high	97.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.8	-176.8	-170.3	0	0	0	0	111.4	V188 L190 V223 S225 L229 C250 H252 P253 V254	V188-V227 HydrophobicContact CB-CG1 4.25Å; V188-V227 HydrophobicContact CB-CG2 4.17Å; V188-V227 HydrophobicContact CG1-CG1 4.45Å; V188-V227 CarbonylContact O-C 3.56Å; V188-V227 WeakPolarHBondContact O-CA 3.31Å; L190-V227 HydrophobicContact CD1-CG1 4.04Å; L190-V227 HydrophobicContact CG-CG1 4.13Å; V223-V227 HydrophobicContact CB-CG2 4.44Å; V223-V227 HydrophobicContact CG1-CG2 3.66Å; S225-V227 VanDerWaalsContact O-CG2 3.27Å; S225-V227 WeakPolarHBondContact O-CG2 3.44Å; S225-V227 PolarHBondContact O-N 2.66Å; V227-L229 HydrophobicContact CB-CD1 4.43Å; V227-L229 HydrophobicContact CG1-CD1 3.72Å; V227-L229 HydrophobicContact CG1-CG 4.47Å; V227-C250 WeakPolarHBondContact CB-SG 3.44Å; V227-C250 WeakPolarHBondContact CG2-SG 3.14Å; V227-H252 PolarHBondContact N-O 2.78Å; V227-P253 WeakPolarHBondContact O-CA 3.46Å; V227-V254 WeakPolarHBondContact O-CG2 3.32Å; V227-V254 PolarHBondContact O-N 3.07Å
228	L	98.9	Very high	97.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.4	168.5	172.3	60.2	0	0	0	109.5	V188 I189 L190 I230 V254 E255 R276 L277 F280	V188-L228 PolarHBondContact O-N 3.08Å; I189-L228 WeakPolarHBondContact CA-O 3.21Å; I189-L228 HydrophobicContact CG1-CB 4.26Å; I189-L228 HydrophobicContact CG1-CD2 4.39Å; I189-L228 HydrophobicContact CG2-CD2 4.44Å; L190-L228 PolarHBondContact N-O 3.2Å; L228-I230 HydrophobicContact CD1-CG1 4.5Å; L228-I230 HydrophobicContact CD2-CD1 4.21Å; L228-I230 HydrophobicContact CD2-CG1 4.34Å; L228-I230 HydrophobicContact CG-CD1 4.47Å; L228-I230 HydrophobicContact CG-CG1 4.09Å; L228-V254 HydrophobicContact CB-CG2 3.72Å; L228-V254 HydrophobicContact CD1-CG2 4.1Å; L228-E255 WeakPolarHBondContact CD1-O 3.37Å; L228-R276 HydrophobicContact CD1-CG 4.18Å; L228-R276 HydrophobicContact CD2-CG 4.16Å; L228-L277 HydrophobicContact CD2-CD2 4.02Å; L228-F280 HydrophobicContact CB-CD1 4.09Å; L228-F280 HydrophobicContact CB-CE1 3.82Å; L228-F280 HydrophobicContact CB-CE2 4.43Å; L228-F280 HydrophobicContact CB-CG 4.49Å; L228-F280 HydrophobicContact CB-CZ 3.99Å; L228-F280 HydrophobicContact CD2-CB 4.04Å; L228-F280 HydrophobicContact CD2-CD1 3.68Å; L228-F280 HydrophobicContact CD2-CE1 4.26Å; L228-F280 HydrophobicContact CD2-CG 3.9Å
229	L	98.8	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.6	171.1	-72.2	92	0	0	0	110.2	L190 P193 V227 G243 L246 Y247 P256 L257 W258	L190-L229 HydrophobicContact CB-CG 4.37Å; L190-L229 WeakPolarHBondContact O-CA 3.49Å; P193-L229 HydrophobicContact CG-CD2 4.25Å; V227-L229 HydrophobicContact CB-CD1 4.43Å; V227-L229 HydrophobicContact CG1-CD1 3.72Å; V227-L229 HydrophobicContact CG1-CG 4.47Å; L229-G243 WeakPolarHBondContact CD2-O 3.3Å; L229-L246 HydrophobicContact CD2-CB 3.8Å; L229-Y247 HydrophobicContact CD1-CD2 3.98Å; L229-P256 HydrophobicContact CB-CB 4.47Å; L229-P256 CarbonylContact O-C 3.57Å; L229-P256 WeakPolarHBondContact O-CA 3.47Å; L229-L257 PolarHBondContact O-N 3.42Å; L229-W258 HydrophobicContact CB-CH2 3.66Å; L229-W258 HydrophobicContact CB-CZ3 3.86Å; L229-W258 HydrophobicContact CD2-CH2 4.46Å
230	I	98.9	Very high	97.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.5	176.7	-53.8	179	0	0	0	107.6	I189 L190 H191 S192 L228 L257 I267 Y273 L277	I189-I230 HydrophobicContact CG2-CD1 3.95Å; I189-I230 HydrophobicContact CG2-CG1 4.44Å; L190-I230 PolarHBondContact O-N 2.98Å; H191-I230 WeakPolarHBondContact CA-O 3.45Å; S192-I230 PolarHBondContact N-O 3.44Å; L228-I230 HydrophobicContact CD1-CG1 4.5Å; L228-I230 HydrophobicContact CD2-CD1 4.21Å; L228-I230 HydrophobicContact CD2-CG1 4.34Å; L228-I230 HydrophobicContact CG-CD1 4.47Å; L228-I230 HydrophobicContact CG-CG1 4.09Å; I230-L257 VanDerWaalsContact CA-O 3.3Å; I230-L257 WeakPolarHBondContact CA-O 3.49Å; I230-L257 HydrophobicContact CG1-CB 4.21Å; I230-L257 HydrophobicContact CG2-CB 4.32Å; I230-L257 HydrophobicContact CG2-CD2 3.98Å; I230-L257 HydrophobicContact CG2-CG 4.36Å; I230-I267 HydrophobicContact CG2-CG2 3.82Å; I230-Y273 HydrophobicContact CD1-CD2 4.07Å; I230-Y273 HydrophobicContact CD1-CE2 3.9Å; I230-Y273 HydrophobicContact CG2-CD2 4.25Å; I230-L277 HydrophobicContact CD1-CD2 3.88Å; I230-L277 HydrophobicContact CD1-CG 4.31Å
231	H	98.8	Very high	97.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	141.2	-179	-143.3	125.1	0	0	0	111	P193 D235 I238 F240 G243 L257 W258 V259	P193-H231 WeakPolarHBondContact CD-ND1 3.47Å; H231-D235 IonicContact CD2-OD2 2.81Å; H231-D235 IonicContact NE2-OD2 2.73Å; H231-D235 PolarHBondContact NE2-OD2 2.64Å; H231-D235 VanDerWaalsContact NE2-OD2 3.16Å; H231-I238 PolarHBondContact CE1-O 2.75Å; H231-I238 PolarHBondContact NE2-O 2.86Å; H231-F240 HydrophobicContact CB-CD2 4.05Å; H231-F240 HydrophobicContact CB-CE2 4.32Å; H231-G243 WeakPolarHBondContact ND1-CA 2.94Å; H231-G243 PolarHBondContact ND1-N 3.05Å; H231-L257 PolarHBondContact N-O 3.06Å; H231-W258 HydrophobicContact CB-CE3 3.81Å; H231-W258 HydrophobicContact CB-CZ3 3.79Å; H231-W258 CarbonylContact O-C 3.56Å; H231-W258 WeakPolarHBondContact O-CA 3.47Å; H231-V259 PolarHBondContact O-N 3.26Å
232	G	98.6	Very high	97.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	142.5	170.7	0	0	0	0	0	111.6	E234 V259 A262 I267	G232-E234 VanDerWaalsContact C-N 3.29Å; G232-V259 WeakPolarHBondContact CA-O 3.36Å; G232-A262 CarbonylContact C-O 3.57Å; G232-A262 VanDerWaalsContact C-O 3.3Å; G232-A262 WeakPolarHBondContact CA-O 3.42Å; G232-I267 VanDerWaalsContact N-CD1 3.31Å
233	T	98.5	Very high	97.5	Very high	36 Å²	36	34.1 Å²	34.1	22%	0.221	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-18	-179	61.1	0	0	0	0	113.2	F240 W258 V259 E260 G261 A262	T233-F240 HydrophobicContact CG2-CE2 4.43Å; T233-W258 HydrophobicContact CG2-CB 4.39Å; T233-V259 PolarHBondContact N-O 2.87Å; T233-E260 WeakPolarHBondContact OG1-CA 3.21Å; T233-E260 PolarHBondContact OG1-OE1 2.94Å; T233-G261 PolarHBondContact OG1-N 3.1Å; T233-A262 PolarHBondContact N-O 3.04Å
234	E	97.8	Very high	97.4	Very high	118 Å²	118	37.1 Å²	37.1	55%	0.551	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112	33.3	178.5	-61.8	-172.9	-175.9	0	0	111.4	G232 E236 A262 G263	G232-E234 VanDerWaalsContact C-N 3.29Å; E234-E236 PolarHBondContact O-N 2.88Å; E234-A262 CarbonylContact C-O 3.52Å; E234-A262 PolarHBondContact N-O 3.3Å; E234-G263 WeakPolarHBondContact O-CA 3.41Å
235	D	97.4	Very high	97.5	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.032	19%	0.19	C	C	.	.			trans	-72	98.4	178.8	-170.1	-24	0	0	0	112.1	H231 V237 I238 D239 H264	H231-D235 IonicContact CD2-OD2 2.81Å; H231-D235 IonicContact NE2-OD2 2.73Å; H231-D235 PolarHBondContact NE2-OD2 2.64Å; H231-D235 VanDerWaalsContact NE2-OD2 3.16Å; D235-V237 VanDerWaalsContact C-N 3.3Å; D235-V237 PolarHBondContact O-N 3.08Å; D235-V237 PolarHBondContact OD1-N 2.9Å; D235-I238 VanDerWaalsContact CB-O 3.3Å; D235-I238 WeakPolarHBondContact CB-O 3.44Å; D235-I238 CarbonylContact O-C 3.56Å; D235-I238 PolarHBondContact OD1-N 2.9Å; D235-D239 WeakPolarHBondContact O-CA 3.44Å; D235-H264 VanDerWaalsContact CG-ND1 3.27Å; D235-H264 WeakPolarHBondContact OD1-CB 3.19Å; D235-H264 IonicContact OD1-CG 3.65Å; D235-H264 IonicContact OD1-ND1 3.16Å; D235-H264 PolarHBondContact OD1-ND1 2.62Å; D235-H264 IonicContact OD2-CE1 2.88Å; D235-H264 IonicContact OD2-CG 3.59Å; D235-H264 IonicContact OD2-ND1 3.5Å; D235-H264 PolarHBondContact OD2-ND1 3.47Å
236	E	91.4	Very high	97.5	Very high	177 Å²	177	35 Å²	35	83%	0.827	19%	0.188	S	C	*	.	S	Bend	trans	-77.9	-6.2	179.2	-64.9	-64.5	155.6	0	0	114.6	E234	E234-E236 PolarHBondContact O-N 2.88Å
237	V	91.9	Very high	97.5	Very high	78 Å²	78	36.7 Å²	36.7	47%	0.473	19%	0.191	S	C	.	.	S	Bend	trans	-98.7	-47.9	179.7	-177.8	0	0	0	0	110.2	D235 H264	D235-V237 VanDerWaalsContact C-N 3.3Å; D235-V237 PolarHBondContact O-N 3.08Å; D235-V237 PolarHBondContact OD1-N 2.9Å; V237-H264 HydrophobicContact CB-CB 3.78Å; V237-H264 HydrophobicContact CG2-CB 3.62Å
238	I	94.3	Very high	97.5	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.051	22%	0.221	C	C	.	.	S	Bend	trans	-129	97.8	176.6	-52.5	-64	0	0	0	106.9	P193 L194 V200 H231 D235 H242 H264	P193-I238 WeakPolarHBondContact O-CG2 3.22Å; L194-I238 HydrophobicContact CB-CD1 4.24Å; L194-I238 HydrophobicContact CB-CG2 4.06Å; V200-I238 HydrophobicContact CB-CD1 4.29Å; V200-I238 HydrophobicContact CG1-CD1 3.69Å; V200-I238 HydrophobicContact CG2-CD1 3.53Å; H231-I238 PolarHBondContact CE1-O 2.75Å; H231-I238 PolarHBondContact NE2-O 2.86Å; D235-I238 VanDerWaalsContact CB-O 3.3Å; D235-I238 WeakPolarHBondContact CB-O 3.44Å; D235-I238 CarbonylContact O-C 3.56Å; D235-I238 PolarHBondContact OD1-N 2.9Å; I238-H242 HydrophobicContact CG2-CB 3.84Å; I238-H264 WeakPolarHBondContact CG1-CE1 3.37Å
239	D	97.3	Very high	97.4	Very high	84 Å²	84	48.9 Å²	48.9	45%	0.449	24%	0.243	S	C	.	.			trans	-48.2	141.7	-175.6	176.2	-93.9	0	0	0	112.8	D235 S241 H242	D235-D239 WeakPolarHBondContact O-CA 3.44Å; D239-S241 PolarHBondContact O-N 2.95Å; D239-S241 WeakPolarHBondContact OD1-CA 3.49Å; D239-S241 WeakPolarHBondContact OD1-CB 3.34Å; D239-S241 PolarHBondContact OD1-N 2.76Å; D239-S241 PolarHBondContact OD1-OG 3.04Å; D239-H242 WeakPolarHBondContact O-CB 3.46Å; D239-H242 PolarHBondContact O-CD2 3.21Å; D239-H242 VanDerWaalsContact O-CD2 3.24Å; D239-H242 PolarHBondContact O-N 3.23Å
240	F	98.1	Very high	97.2	Very high	48 Å²	48	49.6 Å²	49.6	21%	0.211	25%	0.247	C	C	.	.	H	α-helix	trans	-51.4	-30.1	-178.1	173.7	-110.6	0	0	0	113.6	H231 T233 H242 G243 L244 W258	H231-F240 HydrophobicContact CB-CD2 4.05Å; H231-F240 HydrophobicContact CB-CE2 4.32Å; T233-F240 HydrophobicContact CG2-CE2 4.43Å; F240-H242 PolarHBondContact O-N 3.42Å; F240-H242 VanDerWaalsContact O-N 3.1Å; F240-G243 PolarHBondContact O-N 3.46Å; F240-G243 VanDerWaalsContact O-N 3.09Å; F240-L244 PolarHBondContact O-N 2.95Å; F240-W258 HydrophobicContact CE2-CB 4.03Å; F240-W258 AromaticContact CE2-CD2 3.63Å; F240-W258 HydrophobicContact CE2-CD2 3.63Å; F240-W258 AromaticContact CE2-CE3 3.64Å; F240-W258 HydrophobicContact CE2-CE3 3.64Å; F240-W258 AromaticContact CE2-CG 3.81Å; F240-W258 HydrophobicContact CE2-CG 3.81Å; F240-W258 HydrophobicContact CE2-CZ3 4.32Å; F240-W258 HydrophobicContact CZ-CB 4.29Å; F240-W258 AromaticContact CZ-CD2 3.91Å; F240-W258 HydrophobicContact CZ-CD2 3.91Å; F240-W258 HydrophobicContact CZ-CE3 4.35Å; F240-W258 AromaticContact CZ-CG 3.87Å; F240-W258 HydrophobicContact CZ-CG 3.87Å
241	S	97.9	Very high	97.1	Very high	60 Å²	60	54.5 Å²	54.5	42%	0.42	27%	0.271	S	S	.	.	H	α-helix	trans	-59.2	-23.3	176.8	69.8	0	0	0	0	113.5	D239 A245	D239-S241 PolarHBondContact O-N 2.95Å; D239-S241 WeakPolarHBondContact OD1-CA 3.49Å; D239-S241 WeakPolarHBondContact OD1-CB 3.34Å; D239-S241 PolarHBondContact OD1-N 2.76Å; D239-S241 PolarHBondContact OD1-OG 3.04Å; S241-A245 WeakPolarHBondContact O-CB 3.48Å; S241-A245 PolarHBondContact O-N 3.43Å
242	H	98.4	Very high	97	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-45.7	174.7	-72.7	-96.1	0	0	0	112.1	P193 T195 I238 D239 F240 A245 L246	P193-H242 VanDerWaalsContact O-CB 3.23Å; P193-H242 WeakPolarHBondContact O-CB 3.12Å; T195-H242 HydrophobicContact CG2-CB 3.95Å; T195-H242 WeakPolarHBondContact CG2-O 3.39Å; T195-H242 PolarHBondContact N-ND1 2.88Å; T195-H242 PolarHBondContact OG1-CE1 3.47Å; T195-H242 VanDerWaalsContact OG1-CE1 3.27Å; T195-H242 PolarHBondContact OG1-ND1 2.96Å; I238-H242 HydrophobicContact CG2-CB 3.84Å; D239-H242 WeakPolarHBondContact O-CB 3.46Å; D239-H242 PolarHBondContact O-CD2 3.21Å; D239-H242 VanDerWaalsContact O-CD2 3.24Å; D239-H242 PolarHBondContact O-N 3.23Å; F240-H242 PolarHBondContact O-N 3.42Å; F240-H242 VanDerWaalsContact O-N 3.1Å; H242-A245 PolarHBondContact O-N 3.46Å; H242-L246 WeakPolarHBondContact O-CG 3.33Å; H242-L246 PolarHBondContact O-N 2.91Å; H242-L246 VanDerWaalsContact O-N 3.17Å
243	G	98.1	Very high	96.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-49.3	174.3	0	0	0	0	0	111.1	L229 H231 F240 A245 L246 Y247	L229-G243 WeakPolarHBondContact CD2-O 3.3Å; H231-G243 WeakPolarHBondContact ND1-CA 2.94Å; H231-G243 PolarHBondContact ND1-N 3.05Å; F240-G243 PolarHBondContact O-N 3.46Å; F240-G243 VanDerWaalsContact O-N 3.09Å; G243-A245 PolarHBondContact O-N 2.79Å; G243-L246 PolarHBondContact O-N 3.01Å; G243-Y247 WeakPolarHBondContact O-CB 3.48Å; G243-Y247 PolarHBondContact O-N 3.38Å
244	L	98.4	Very high	96.9	Very high	63 Å²	63	60.8 Å²	60.8	33%	0.33	30%	0.303	S	S	.	.	H	α-helix	trans	-58.9	-46.2	178.1	-174.5	62.4	0	0	0	112.2	F240 L246 Y247 E248	F240-L244 PolarHBondContact O-N 2.95Å; L244-L246 VanDerWaalsContact C-N 3.29Å; L244-L246 PolarHBondContact O-N 3.1Å; L244-Y247 WeakPolarHBondContact O-CB 3.44Å; L244-Y247 PolarHBondContact O-N 3.43Å; L244-E248 HydrophobicContact CD1-CG 4.49Å; L244-E248 WeakPolarHBondContact O-CG 3.33Å; L244-E248 PolarHBondContact O-N 3.45Å
245	A	98.2	Very high	96.9	Very high	20 Å²	20	61.7 Å²	61.7	17%	0.165	31%	0.307	C	S	.	.	H	α-helix	trans	-65.9	-29.3	-178.2	0	0	0	0	0	113.9	T195 I217 S241 H242 G243 R249	T195-A245 HydrophobicContact CG2-CB 3.97Å; I217-A245 HydrophobicContact CD1-CB 4.35Å; S241-A245 WeakPolarHBondContact O-CB 3.48Å; S241-A245 PolarHBondContact O-N 3.43Å; H242-A245 PolarHBondContact O-N 3.46Å; G243-A245 PolarHBondContact O-N 2.79Å; A245-R249 WeakPolarHBondContact O-CG 3.42Å; A245-R249 PolarHBondContact O-NH1 3.38Å
246	L	98.5	Very high	96.9	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-78.7	-39.5	173.3	-70	175.5	0	0	0	111.5	P193 T195 N216 I217 I220 L229 H242 G243 L244 E248 R249 C250	P193-L246 HydrophobicContact CB-CD1 3.53Å; P193-L246 HydrophobicContact CG-CD1 3.78Å; T195-L246 HydrophobicContact CG2-CD1 4.48Å; T195-L246 HydrophobicContact CG2-CD2 4.23Å; T195-L246 HydrophobicContact CG2-CG 3.92Å; N216-L246 HydrophobicContact CB-CD2 4.25Å; I217-L246 HydrophobicContact CD1-CD2 4Å; I220-L246 HydrophobicContact CB-CD2 3.97Å; I220-L246 HydrophobicContact CG1-CB 4.49Å; I220-L246 HydrophobicContact CG1-CD2 4.28Å; I220-L246 HydrophobicContact CG2-CD2 3.78Å; L229-L246 HydrophobicContact CD2-CB 3.8Å; H242-L246 WeakPolarHBondContact O-CG 3.33Å; H242-L246 PolarHBondContact O-N 2.91Å; H242-L246 VanDerWaalsContact O-N 3.17Å; G243-L246 PolarHBondContact O-N 3.01Å; L244-L246 VanDerWaalsContact C-N 3.29Å; L244-L246 PolarHBondContact O-N 3.1Å; L246-E248 VanDerWaalsContact C-N 3.35Å; L246-E248 PolarHBondContact O-N 2.93Å; L246-R249 PolarHBondContact O-N 3.29Å; L246-C250 PolarHBondContact O-N 3.16Å
247	Y	98.6	Very high	97.3	Very high	63 Å²	63	54.4 Å²	54.4	25%	0.247	28%	0.275	C	S	.	.	H	α-helix	trans	-55.9	-49.7	174	178.6	-96.3	0	0	0	111.2	L229 G243 L244 R249 C250 P253 V254 P256 W258	L229-Y247 HydrophobicContact CD1-CD2 3.98Å; G243-Y247 WeakPolarHBondContact O-CB 3.48Å; G243-Y247 PolarHBondContact O-N 3.38Å; L244-Y247 WeakPolarHBondContact O-CB 3.44Å; L244-Y247 PolarHBondContact O-N 3.43Å; Y247-R249 PolarHBondContact O-N 3.12Å; Y247-C250 WeakPolarHBondContact O-CB 3.48Å; Y247-C250 PolarHBondContact O-N 3.16Å; Y247-P253 HydrophobicContact CD2-CB 3.77Å; Y247-P253 HydrophobicContact CE2-CB 3.46Å; Y247-P253 VanDerWaalsContact CE2-CB 3.46Å; Y247-P253 HydrophobicContact CE2-CG 4.33Å; Y247-V254 WeakPolarHBondContact CE2-O 3.48Å; Y247-P256 HydrophobicContact CD2-CB 3.97Å; Y247-P256 HydrophobicContact CD2-CG 4.04Å; Y247-P256 HydrophobicContact CE2-CB 3.93Å; Y247-P256 HydrophobicContact CE2-CG 3.64Å; Y247-W258 HydrophobicContact CD2-CH2 4.47Å; Y247-W258 HydrophobicContact CD2-CZ2 4.23Å; Y247-W258 HydrophobicContact CG-CH2 4.42Å; Y247-W258 HydrophobicContact CG-CZ2 4.08Å
248	E	98.1	Very high	97.6	Very high	134 Å²	134	54.1 Å²	54.1	63%	0.626	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.8	180	-70.7	175.7	162.5	0	0	114.4	L244 L246	L244-E248 HydrophobicContact CD1-CG 4.49Å; L244-E248 WeakPolarHBondContact O-CG 3.33Å; L244-E248 PolarHBondContact O-N 3.45Å; L246-E248 VanDerWaalsContact C-N 3.35Å; L246-E248 PolarHBondContact O-N 2.93Å
249	R	97.6	Very high	97.8	Very high	122 Å²	122	53.7 Å²	53.7	46%	0.46	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-6.9	-179.7	-74.2	178.1	179.7	74.2	1.6	113.6	I217 I220 A245 L246 Y247	I217-R249 VanDerWaalsContact CD1-CD 3.4Å; I220-R249 HydrophobicContact CG2-CB 3.75Å; A245-R249 WeakPolarHBondContact O-CG 3.42Å; A245-R249 PolarHBondContact O-NH1 3.38Å; L246-R249 PolarHBondContact O-N 3.29Å; Y247-R249 PolarHBondContact O-N 3.12Å
250	C	94.9	Very high	97.9	Very high	14 Å²	14	56.3 Å²	56.3	10%	0.095	27%	0.272	C	S	.	.			trans	-68.5	141.8	177.8	-172.4	0	0	0	0	110.2	I220 V227 L246 Y247 P253	I220-C250 HydrophobicContact CG1-CB 4.41Å; V227-C250 WeakPolarHBondContact CB-SG 3.44Å; V227-C250 WeakPolarHBondContact CG2-SG 3.14Å; L246-C250 PolarHBondContact O-N 3.16Å; Y247-C250 WeakPolarHBondContact O-CB 3.48Å; Y247-C250 PolarHBondContact O-N 3.16Å; C250-P253 HydrophobicContact CB-CB 4.11Å; C250-P253 HydrophobicContact CB-CG 4.35Å
251	Q	95.8	Very high	97.8	Very high	104 Å²	104	55.1 Å²	55.1	49%	0.486	27%	0.274	S	S	.	.	S	Bend	trans	-75.6	-38	176.3	-65.8	-166.3	-43.9	0	0	112.3	S221 P253	S221-Q251 VanDerWaalsContact O-CG 3.22Å; S221-Q251 WeakPolarHBondContact O-CG 3.41Å; S221-Q251 PolarHBondContact O-NE2 3.1Å; S221-Q251 VanDerWaalsContact O-NE2 3.12Å; S221-Q251 PolarHBondContact O-OE1 3.47Å; Q251-P253 VanDerWaalsContact C-CD 3.43Å
252	H	96.6	Very high	97.8	Very high	97 Å²	97	52.3 Å²	52.3	45%	0.449	25%	0.254	S	S	.	.	S	Bend	trans	-130.6	60.3	-175.9	-58.9	-67.9	0	0	0	111.3	T224 P226 V227 V254	T224-H252 PolarHBondContact O-CD2 3.25Å; P226-H252 WeakPolarHBondContact CA-O 3.28Å; V227-H252 PolarHBondContact N-O 2.78Å; H252-V254 PolarHBondContact O-N 3.31Å
253	P	97.4	Very high	97.7	Very high	49 Å²	49	52.6 Å²	52.6	32%	0.318	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-66.4	135.9	173.1	29.1	-31.9	0	0	0	109.8	V227 Y247 C250 Q251	V227-P253 WeakPolarHBondContact O-CA 3.46Å; Y247-P253 HydrophobicContact CD2-CB 3.77Å; Y247-P253 HydrophobicContact CE2-CB 3.46Å; Y247-P253 VanDerWaalsContact CE2-CB 3.46Å; Y247-P253 HydrophobicContact CE2-CG 4.33Å; C250-P253 HydrophobicContact CB-CB 4.11Å; C250-P253 HydrophobicContact CB-CG 4.35Å; Q251-P253 VanDerWaalsContact C-CD 3.43Å
254	V	97.9	Very high	97.6	Very high	22 Å²	22	53.3 Å²	53.3	13%	0.133	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-93.8	172.5	161	-59.2	0	0	0	0	109.7	P226 V227 L228 Y247 H252 P256 F280	P226-V254 HydrophobicContact CB-CG1 4.05Å; V227-V254 WeakPolarHBondContact O-CG2 3.32Å; V227-V254 PolarHBondContact O-N 3.07Å; L228-V254 HydrophobicContact CB-CG2 3.72Å; L228-V254 HydrophobicContact CD1-CG2 4.1Å; Y247-V254 WeakPolarHBondContact CE2-O 3.48Å; H252-V254 PolarHBondContact O-N 3.31Å; V254-P256 WeakPolarHBondContact O-CD 3.49Å; V254-P256 VanDerWaalsContact O-N 3.08Å; V254-F280 HydrophobicContact CB-CE2 4.22Å; V254-F280 HydrophobicContact CG1-CE2 3.91Å; V254-F280 HydrophobicContact CG2-CD2 3.95Å; V254-F280 HydrophobicContact CG2-CE2 3.53Å; V254-F280 HydrophobicContact CG2-CZ 4.12Å
255	E	97.9	Very high	97.3	Very high	136 Å²	136	56.6 Å²	56.6	64%	0.636	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-51.5	118.6	178.9	-173.1	61.6	-159.1	0	0	110.5	L228 R276	L228-E255 WeakPolarHBondContact CD1-O 3.37Å; E255-R276 PolarHBondContact O-NE 3.25Å; E255-R276 PolarHBondContact O-NH2 3.19Å
256	P	98.5	Very high	97.1	Very high	14 Å²	14	58 Å²	58	9%	0.091	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-75.7	171.8	-175.3	32.4	-33.9	0	0	0	111.1	L229 Y247 V254 W258	L229-P256 HydrophobicContact CB-CB 4.47Å; L229-P256 CarbonylContact O-C 3.57Å; L229-P256 WeakPolarHBondContact O-CA 3.47Å; Y247-P256 HydrophobicContact CD2-CB 3.97Å; Y247-P256 HydrophobicContact CD2-CG 4.04Å; Y247-P256 HydrophobicContact CE2-CB 3.93Å; Y247-P256 HydrophobicContact CE2-CG 3.64Å; V254-P256 WeakPolarHBondContact O-CD 3.49Å; V254-P256 VanDerWaalsContact O-N 3.08Å; P256-W258 HydrophobicContact CB-CD2 4.01Å; P256-W258 VanDerWaalsContact CB-CE2 3.47Å; P256-W258 HydrophobicContact CB-CE3 4.23Å; P256-W258 HydrophobicContact CB-CH2 3.55Å; P256-W258 HydrophobicContact CB-CZ2 3.24Å; P256-W258 HydrophobicContact CB-CZ3 4.02Å; P256-W258 HydrophobicContact CG-CD2 4.25Å; P256-W258 VanDerWaalsContact CG-CE2 3.41Å; P256-W258 HydrophobicContact CG-CH2 4.24Å; P256-W258 HydrophobicContact CG-CZ2 3.42Å; P256-W258 VanDerWaalsContact CG-CZ2 3.42Å
257	L	98.8	Very high	97	Very high	17 Å²	17	58 Å²	58	9%	0.089	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	103.5	167.4	179.2	67	0	0	0	109.9	L229 I230 H231 V259 Q272 R276	L229-L257 PolarHBondContact O-N 3.42Å; I230-L257 VanDerWaalsContact CA-O 3.3Å; I230-L257 WeakPolarHBondContact CA-O 3.49Å; I230-L257 HydrophobicContact CG1-CB 4.21Å; I230-L257 HydrophobicContact CG2-CB 4.32Å; I230-L257 HydrophobicContact CG2-CD2 3.98Å; I230-L257 HydrophobicContact CG2-CG 4.36Å; H231-L257 PolarHBondContact N-O 3.06Å; L257-V259 HydrophobicContact CD1-CG2 4.4Å; L257-V259 HydrophobicContact CD2-CG2 3.92Å; L257-V259 HydrophobicContact CG-CG2 3.77Å; L257-Q272 HydrophobicContact CD1-CB 4.24Å; L257-Q272 HydrophobicContact CD1-CG 4.08Å; L257-Q272 HydrophobicContact CD2-CG 4.4Å; L257-R276 HydrophobicContact CB-CB 4.33Å; L257-R276 HydrophobicContact CB-CG 3.91Å; L257-R276 HydrophobicContact CD1-CB 4.31Å; L257-R276 HydrophobicContact CD2-CB 3.79Å; L257-R276 HydrophobicContact CD2-CG 4.25Å; L257-R276 HydrophobicContact CG-CB 4.37Å; L257-R276 HydrophobicContact CG-CG 4.49Å
258	W	98.7	Very high	96.9	Very high	72 Å²	72	57.5 Å²	57.5	27%	0.273	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	115.8	168.1	-45.7	137.5	0	0	0	108.2	L229 H231 T233 F240 Y247 P256 E260 Q272	L229-W258 HydrophobicContact CB-CH2 3.66Å; L229-W258 HydrophobicContact CB-CZ3 3.86Å; L229-W258 HydrophobicContact CD2-CH2 4.46Å; H231-W258 HydrophobicContact CB-CE3 3.81Å; H231-W258 HydrophobicContact CB-CZ3 3.79Å; H231-W258 CarbonylContact O-C 3.56Å; H231-W258 WeakPolarHBondContact O-CA 3.47Å; T233-W258 HydrophobicContact CG2-CB 4.39Å; F240-W258 HydrophobicContact CE2-CB 4.03Å; F240-W258 AromaticContact CE2-CD2 3.63Å; F240-W258 HydrophobicContact CE2-CD2 3.63Å; F240-W258 AromaticContact CE2-CE3 3.64Å; F240-W258 HydrophobicContact CE2-CE3 3.64Å; F240-W258 AromaticContact CE2-CG 3.81Å; F240-W258 HydrophobicContact CE2-CG 3.81Å; F240-W258 HydrophobicContact CE2-CZ3 4.32Å; F240-W258 HydrophobicContact CZ-CB 4.29Å; F240-W258 AromaticContact CZ-CD2 3.91Å; F240-W258 HydrophobicContact CZ-CD2 3.91Å; F240-W258 HydrophobicContact CZ-CE3 4.35Å; F240-W258 AromaticContact CZ-CG 3.87Å; F240-W258 HydrophobicContact CZ-CG 3.87Å; Y247-W258 HydrophobicContact CD2-CH2 4.47Å; Y247-W258 HydrophobicContact CD2-CZ2 4.23Å; Y247-W258 HydrophobicContact CG-CH2 4.42Å; Y247-W258 HydrophobicContact CG-CZ2 4.08Å; P256-W258 HydrophobicContact CB-CD2 4.01Å; P256-W258 VanDerWaalsContact CB-CE2 3.47Å; P256-W258 HydrophobicContact CB-CE3 4.23Å; P256-W258 HydrophobicContact CB-CH2 3.55Å; P256-W258 HydrophobicContact CB-CZ2 3.24Å; P256-W258 HydrophobicContact CB-CZ3 4.02Å; P256-W258 HydrophobicContact CG-CD2 4.25Å; P256-W258 VanDerWaalsContact CG-CE2 3.41Å; P256-W258 HydrophobicContact CG-CH2 4.24Å; P256-W258 HydrophobicContact CG-CZ2 3.42Å; P256-W258 VanDerWaalsContact CG-CZ2 3.42Å; W258-E260 PolarHBondContact O-N 3.14Å; W258-Q272 PolarHBondContact O-NE2 2.62Å
259	V	98.4	Very high	96.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	102	-176.6	-170.9	0	0	0	0	109	H231 G232 T233 L257 G261 A262 I267 Y270 Q272	H231-V259 PolarHBondContact O-N 3.26Å; G232-V259 WeakPolarHBondContact CA-O 3.36Å; T233-V259 PolarHBondContact N-O 2.87Å; L257-V259 HydrophobicContact CD1-CG2 4.4Å; L257-V259 HydrophobicContact CD2-CG2 3.92Å; L257-V259 HydrophobicContact CG-CG2 3.77Å; V259-G261 PolarHBondContact O-N 3.09Å; V259-A262 HydrophobicContact CB-CB 3.73Å; V259-A262 HydrophobicContact CG1-CB 3.42Å; V259-A262 VanDerWaalsContact CG1-CB 3.42Å; V259-A262 PolarHBondContact O-N 3.4Å; V259-I267 HydrophobicContact CG2-CG2 4Å; V259-Y270 HydrophobicContact CG1-CD1 3.62Å; V259-Y270 HydrophobicContact CG1-CD2 3.98Å; V259-Y270 HydrophobicContact CG1-CE1 4.13Å; V259-Y270 HydrophobicContact CG1-CE2 4.5Å; V259-Y270 HydrophobicContact CG1-CG 3.54Å; V259-Q272 HydrophobicContact CG1-CG 4.19Å; V259-Q272 HydrophobicContact CG2-CG 4.24Å
260	E	98.3	Very high	96.8	Very high	140 Å²	140	56 Å²	56	65%	0.654	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	126.1	-177.6	-166.5	61.6	-118.5	0	0	111.1	T233 W258 A262	T233-E260 WeakPolarHBondContact OG1-CA 3.21Å; T233-E260 PolarHBondContact OG1-OE1 2.94Å; W258-E260 PolarHBondContact O-N 3.14Å; E260-A262 PolarHBondContact O-N 2.87Å
261	G	97.6	Very high	96.9	Very high	23 Å²	23	57.7 Å²	57.7	24%	0.237	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	4.2	179.3	0	0	0	0	0	115.2	T233 V259 Y270	T233-G261 PolarHBondContact OG1-N 3.1Å; V259-G261 PolarHBondContact O-N 3.09Å; G261-Y270 PolarHBondContact O-OH 3.01Å
262	A	98.1	Very high	97	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.			trans	-86.2	144	173.2	0	0	0	0	0	111.1	G232 T233 E234 V259 E260 D266 I267 Y270	G232-A262 CarbonylContact C-O 3.57Å; G232-A262 VanDerWaalsContact C-O 3.3Å; G232-A262 WeakPolarHBondContact CA-O 3.42Å; T233-A262 PolarHBondContact N-O 3.04Å; E234-A262 CarbonylContact C-O 3.52Å; E234-A262 PolarHBondContact N-O 3.3Å; V259-A262 HydrophobicContact CB-CB 3.73Å; V259-A262 HydrophobicContact CG1-CB 3.42Å; V259-A262 VanDerWaalsContact CG1-CB 3.42Å; V259-A262 PolarHBondContact O-N 3.4Å; E260-A262 PolarHBondContact O-N 2.87Å; A262-D266 WeakPolarHBondContact CA-OD1 3.25Å; A262-D266 WeakPolarHBondContact CB-OD1 3.24Å; A262-I267 HydrophobicContact CB-CG1 3.84Å; A262-Y270 HydrophobicContact CB-CD2 3.99Å; A262-Y270 HydrophobicContact CB-CE1 4.38Å; A262-Y270 HydrophobicContact CB-CE2 3.54Å
263	G	95.5	Very high	97.1	Very high	14 Å²	14	51.8 Å²	51.8	14%	0.144	28%	0.277	C	S	.	.			trans	-94.3	-162.5	170.9	0	0	0	0	0	113.2	E234 N265 D266 I267	E234-G263 WeakPolarHBondContact O-CA 3.41Å; G263-N265 PolarHBondContact O-N 3.13Å; G263-D266 PolarHBondContact N-OD1 2.66Å; G263-D266 PolarHBondContact N-OD2 3.08Å; G263-I267 WeakPolarHBondContact O-CG1 3.25Å
264	H	95.4	Very high	97.1	Very high	16 Å²	16	51.4 Å²	51.4	7%	0.074	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-31.5	-174.9	-160.7	66.8	0	0	0	114.7	S170 D235 V237 I238	S170-H264 VanDerWaalsContact CB-NE2 3.29Å; S170-H264 WeakPolarHBondContact CB-NE2 3.33Å; S170-H264 PolarHBondContact OG-CE1 3.02Å; S170-H264 PolarHBondContact OG-NE2 3.23Å; D235-H264 VanDerWaalsContact CG-ND1 3.27Å; D235-H264 WeakPolarHBondContact OD1-CB 3.19Å; D235-H264 IonicContact OD1-CG 3.65Å; D235-H264 IonicContact OD1-ND1 3.16Å; D235-H264 PolarHBondContact OD1-ND1 2.62Å; D235-H264 IonicContact OD2-CE1 2.88Å; D235-H264 IonicContact OD2-CG 3.59Å; D235-H264 IonicContact OD2-ND1 3.5Å; D235-H264 PolarHBondContact OD2-ND1 3.47Å; V237-H264 HydrophobicContact CB-CB 3.78Å; V237-H264 HydrophobicContact CG2-CB 3.62Å; I238-H264 WeakPolarHBondContact CG1-CE1 3.37Å
265	N	92.3	Very high	97.1	Very high	131 Å²	131	56.8 Å²	56.8	70%	0.701	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	7.4	-163.8	-60.7	-56.4	0	0	0	113.6	G263	G263-N265 PolarHBondContact O-N 3.13Å
266	D	94.6	Very high	97.1	Very high	51 Å²	51	51.4 Å²	51.4	27%	0.273	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-1.7	-175.1	61.5	12.2	0	0	0	114	A262 G263 E268 L269 Y270	A262-D266 WeakPolarHBondContact CA-OD1 3.25Å; A262-D266 WeakPolarHBondContact CB-OD1 3.24Å; G263-D266 PolarHBondContact N-OD1 2.66Å; G263-D266 PolarHBondContact N-OD2 3.08Å; D266-E268 PolarHBondContact O-N 3.28Å; D266-E268 VanDerWaalsContact O-N 3.14Å; D266-L269 HydrophobicContact CB-CD1 3.98Å; D266-L269 HydrophobicContact CB-CG 4.4Å; D266-L269 WeakPolarHBondContact O-CA 3.26Å; D266-L269 WeakPolarHBondContact O-CB 3.3Å; D266-L269 WeakPolarHBondContact O-CG 3.18Å; D266-L269 PolarHBondContact O-N 3.46Å; D266-Y270 HydrophobicContact CB-CE2 4.48Å; D266-Y270 VanDerWaalsContact O-CD2 3.25Å; D266-Y270 WeakPolarHBondContact O-CD2 3.5Å
267	I	96.9	Very high	97.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-51	-41.6	179.4	-73.2	162.7	0	0	0	111.8	H191 S192 I230 G232 V259 A262 G263 L269 Y270 Y273	H191-I267 WeakPolarHBondContact NE2-CB 3.35Å; H191-I267 VanDerWaalsContact NE2-CD1 3.28Å; H191-I267 WeakPolarHBondContact NE2-CD1 3.21Å; H191-I267 VanDerWaalsContact NE2-CG2 3.31Å; H191-I267 WeakPolarHBondContact NE2-CG2 3.37Å; S192-I267 VanDerWaalsContact OG-CD1 3.24Å; S192-I267 WeakPolarHBondContact OG-CD1 3.41Å; I230-I267 HydrophobicContact CG2-CG2 3.82Å; G232-I267 VanDerWaalsContact N-CD1 3.31Å; V259-I267 HydrophobicContact CG2-CG2 4Å; A262-I267 HydrophobicContact CB-CG1 3.84Å; G263-I267 WeakPolarHBondContact O-CG1 3.25Å; I267-L269 PolarHBondContact O-N 3.48Å; I267-L269 VanDerWaalsContact O-N 3.16Å; I267-Y270 PolarHBondContact O-N 2.81Å; I267-Y273 HydrophobicContact CG2-CD2 3.86Å; I267-Y273 HydrophobicContact CG2-CG 4.31Å
268	E	95.6	Very high	97.1	Very high	51 Å²	51	54.3 Å²	54.3	24%	0.238	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-67.3	-14.2	-179.3	-58.4	96.5	148.5	0	0	113.9	F110 Q169 H191 D266 Y270 Y273	F110-E268 HydrophobicContact CE2-CB 4.42Å; F110-E268 HydrophobicContact CE2-CG 3.95Å; F110-E268 HydrophobicContact CZ-CG 4.26Å; Q169-E268 PolarHBondContact NE2-OE1 3.11Å; H191-E268 VanDerWaalsContact CE1-CD 3.44Å; H191-E268 IonicContact CE1-OE1 3.2Å; H191-E268 PolarHBondContact CE1-OE1 3.39Å; H191-E268 IonicContact CE1-OE2 3.76Å; H191-E268 IonicContact ND1-OE1 3.71Å; D266-E268 PolarHBondContact O-N 3.28Å; D266-E268 VanDerWaalsContact O-N 3.14Å; E268-Y270 VanDerWaalsContact C-N 3.33Å; E268-Y273 HydrophobicContact CB-CD1 4.09Å; E268-Y273 HydrophobicContact CB-CE1 4.07Å; E268-Y273 HydrophobicContact CG-CD1 4.06Å; E268-Y273 HydrophobicContact CG-CE1 3.65Å; E268-Y273 HydrophobicContact CG-CE2 4.35Å
269	L	95.7	Very high	97	Very high	149 Å²	149	55.1 Å²	55.1	78%	0.78	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-79.3	-17.5	174.5	-52.2	-177.3	0	0	0	112.2	D266 I267	D266-L269 HydrophobicContact CB-CD1 3.98Å; D266-L269 HydrophobicContact CB-CG 4.4Å; D266-L269 WeakPolarHBondContact O-CA 3.26Å; D266-L269 WeakPolarHBondContact O-CB 3.3Å; D266-L269 WeakPolarHBondContact O-CG 3.18Å; D266-L269 PolarHBondContact O-N 3.46Å; I267-L269 PolarHBondContact O-N 3.48Å; I267-L269 VanDerWaalsContact O-N 3.16Å
270	Y	97.7	Very high	97	Very high	76 Å²	76	55.1 Å²	55.1	30%	0.298	29%	0.286	S	S	.	.	S	Bend	trans	-86.4	128.4	179.1	-66.5	-111.2	0	0	0	110.2	V259 G261 A262 D266 I267 E268 Q272 Y273	V259-Y270 HydrophobicContact CG1-CD1 3.62Å; V259-Y270 HydrophobicContact CG1-CD2 3.98Å; V259-Y270 HydrophobicContact CG1-CE1 4.13Å; V259-Y270 HydrophobicContact CG1-CE2 4.5Å; V259-Y270 HydrophobicContact CG1-CG 3.54Å; G261-Y270 PolarHBondContact O-OH 3.01Å; A262-Y270 HydrophobicContact CB-CD2 3.99Å; A262-Y270 HydrophobicContact CB-CE1 4.38Å; A262-Y270 HydrophobicContact CB-CE2 3.54Å; D266-Y270 HydrophobicContact CB-CE2 4.48Å; D266-Y270 VanDerWaalsContact O-CD2 3.25Å; D266-Y270 WeakPolarHBondContact O-CD2 3.5Å; I267-Y270 PolarHBondContact O-N 2.81Å; E268-Y270 VanDerWaalsContact C-N 3.33Å; Y270-Q272 PolarHBondContact O-N 3.44Å; Y270-Q272 VanDerWaalsContact O-N 3.1Å; Y270-Y273 VanDerWaalsContact O-CB 3.3Å; Y270-Y273 WeakPolarHBondContact O-CB 2.99Å; Y270-Y273 PolarHBondContact O-N 3.45Å
271	G	96.8	Very high	97	Very high	50 Å²	50	48.8 Å²	48.8	52%	0.515	26%	0.257	S	S	.	.	H	α-helix	trans	-55.3	-33.8	-177.6	0	0	0	0	0	114.1	Y273 L274 E275	G271-Y273 PolarHBondContact O-N 2.91Å; G271-L274 PolarHBondContact O-N 2.85Å; G271-L274 VanDerWaalsContact O-N 3.16Å; G271-E275 WeakPolarHBondContact O-CG 3.3Å; G271-E275 PolarHBondContact O-N 2.77Å; G271-E275 VanDerWaalsContact O-N 3.16Å
272	Q	97.8	Very high	96.8	Very high	69 Å²	69	50.3 Å²	50.3	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-59.3	-28.1	178.4	66.7	-172.5	77.1	0	0	113.7	L257 W258 V259 Y270 E275 R276	L257-Q272 HydrophobicContact CD1-CB 4.24Å; L257-Q272 HydrophobicContact CD1-CG 4.08Å; L257-Q272 HydrophobicContact CD2-CG 4.4Å; W258-Q272 PolarHBondContact O-NE2 2.62Å; V259-Q272 HydrophobicContact CG1-CG 4.19Å; V259-Q272 HydrophobicContact CG2-CG 4.24Å; Y270-Q272 PolarHBondContact O-N 3.44Å; Y270-Q272 VanDerWaalsContact O-N 3.1Å; Q272-E275 PolarHBondContact O-N 3.22Å; Q272-R276 WeakPolarHBondContact O-CB 3.33Å; Q272-R276 PolarHBondContact O-N 2.67Å
273	Y	98.5	Very high	96.5	Very high	8 Å²	8	55 Å²	55	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-58.2	-52.2	175.3	169.7	-107.5	0	0	0	110.8	L114 Y167 I230 I267 E268 Y270 G271 L277	L114-Y273 HydrophobicContact CD1-CE1 4.23Å; Y167-Y273 WeakPolarHBondContact OH-CE2 3.48Å; Y167-Y273 PolarHBondContact OH-OH 2.94Å; I230-Y273 HydrophobicContact CD1-CD2 4.07Å; I230-Y273 HydrophobicContact CD1-CE2 3.9Å; I230-Y273 HydrophobicContact CG2-CD2 4.25Å; I267-Y273 HydrophobicContact CG2-CD2 3.86Å; I267-Y273 HydrophobicContact CG2-CG 4.31Å; E268-Y273 HydrophobicContact CB-CD1 4.09Å; E268-Y273 HydrophobicContact CB-CE1 4.07Å; E268-Y273 HydrophobicContact CG-CD1 4.06Å; E268-Y273 HydrophobicContact CG-CE1 3.65Å; E268-Y273 HydrophobicContact CG-CE2 4.35Å; Y270-Y273 VanDerWaalsContact O-CB 3.3Å; Y270-Y273 WeakPolarHBondContact O-CB 2.99Å; Y270-Y273 PolarHBondContact O-N 3.45Å; G271-Y273 PolarHBondContact O-N 2.91Å; Y273-L277 HydrophobicContact CD1-CD1 4.32Å; Y273-L277 HydrophobicContact CD2-CD1 4.2Å; Y273-L277 HydrophobicContact CE1-CD1 3.76Å; Y273-L277 HydrophobicContact CE2-CD1 3.62Å; Y273-L277 HydrophobicContact CE2-CG 4.34Å; Y273-L277 WeakPolarHBondContact O-CG 3.43Å; Y273-L277 PolarHBondContact O-N 3.5Å
274	L	98.1	Very high	96.4	Very high	40 Å²	40	56.7 Å²	56.7	21%	0.209	29%	0.293	C	S	.	.	H	α-helix	trans	-70.7	-37.7	-179.1	-177	65.3	0	0	0	112	R117 I118 G271 L277 K278	R117-L274 HydrophobicContact CB-CD1 3.65Å; R117-L274 HydrophobicContact CB-CD2 4.08Å; R117-L274 HydrophobicContact CB-CG 4.46Å; R117-L274 HydrophobicContact CG-CD2 4.34Å; I118-L274 HydrophobicContact CG2-CD1 3.59Å; G271-L274 PolarHBondContact O-N 2.85Å; G271-L274 VanDerWaalsContact O-N 3.16Å; L274-L277 PolarHBondContact O-N 3.16Å; L274-K278 HydrophobicContact CG-CD 4.23Å; L274-K278 WeakPolarHBondContact O-CB 3.39Å; L274-K278 WeakPolarHBondContact O-CG 3.5Å; L274-K278 PolarHBondContact O-N 2.78Å
275	E	98.3	Very high	96.2	Very high	135 Å²	135	56.3 Å²	56.3	63%	0.631	29%	0.292	S	S	*	.	H	α-helix	trans	-61.9	-47.9	178	-70	174	173.5	0	0	111.5	G271 Q272 L277 K278 Q279	G271-E275 WeakPolarHBondContact O-CG 3.3Å; G271-E275 PolarHBondContact O-N 2.77Å; G271-E275 VanDerWaalsContact O-N 3.16Å; Q272-E275 PolarHBondContact O-N 3.22Å; E275-L277 PolarHBondContact O-N 3.26Å; E275-K278 PolarHBondContact O-N 2.76Å; E275-Q279 WeakPolarHBondContact O-CB 3.33Å; E275-Q279 PolarHBondContact O-N 3.25Å
276	R	98.5	Very high	95.8	Very high	24 Å²	24	53 Å²	53	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-46	176.9	179.7	74.9	-166.8	91.9	-7.3	111.5	L228 E255 L257 Q272 Q279 F280 E284	L228-R276 HydrophobicContact CD1-CG 4.18Å; L228-R276 HydrophobicContact CD2-CG 4.16Å; E255-R276 PolarHBondContact O-NE 3.25Å; E255-R276 PolarHBondContact O-NH2 3.19Å; L257-R276 HydrophobicContact CB-CB 4.33Å; L257-R276 HydrophobicContact CB-CG 3.91Å; L257-R276 HydrophobicContact CD1-CB 4.31Å; L257-R276 HydrophobicContact CD2-CB 3.79Å; L257-R276 HydrophobicContact CD2-CG 4.25Å; L257-R276 HydrophobicContact CG-CB 4.37Å; L257-R276 HydrophobicContact CG-CG 4.49Å; Q272-R276 WeakPolarHBondContact O-CB 3.33Å; Q272-R276 PolarHBondContact O-N 2.67Å; R276-Q279 WeakPolarHBondContact O-CB 3.12Å; R276-Q279 PolarHBondContact O-N 3.37Å; R276-F280 WeakPolarHBondContact O-CB 3.29Å; R276-F280 PolarHBondContact O-N 3.37Å; R276-E284 IonicContact CZ-OE1 3.39Å; R276-E284 IonicContact CZ-OE2 3.05Å; R276-E284 IonicContact NH1-OE1 3.18Å; R276-E284 PolarHBondContact NH1-OE1 3.48Å; R276-E284 IonicContact NH1-OE2 3.44Å; R276-E284 PolarHBondContact NH1-OE2 2.5Å; R276-E284 IonicContact NH2-OE1 2.73Å; R276-E284 PolarHBondContact NH2-OE1 3.42Å; R276-E284 IonicContact NH2-OE2 3.61Å; R276-E284 PolarHBondContact NH2-OE2 2.91Å
277	L	98.4	Very high	94.7	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-42.9	-179.5	-73.8	179.2	0	0	0	111.9	L114 I118 Y167 I189 L228 I230 Y273 L274 E275 Q279 F280 V281	L114-L277 HydrophobicContact CD1-CD1 3.84Å; I118-L277 HydrophobicContact CG2-CB 3.98Å; Y167-L277 HydrophobicContact CE2-CD2 4.36Å; I189-L277 HydrophobicContact CD1-CD2 3.75Å; I189-L277 HydrophobicContact CG2-CD2 4.35Å; L228-L277 HydrophobicContact CD2-CD2 4.02Å; I230-L277 HydrophobicContact CD1-CD2 3.88Å; I230-L277 HydrophobicContact CD1-CG 4.31Å; Y273-L277 HydrophobicContact CD1-CD1 4.32Å; Y273-L277 HydrophobicContact CD2-CD1 4.2Å; Y273-L277 HydrophobicContact CE1-CD1 3.76Å; Y273-L277 HydrophobicContact CE2-CD1 3.62Å; Y273-L277 HydrophobicContact CE2-CG 4.34Å; Y273-L277 WeakPolarHBondContact O-CG 3.43Å; Y273-L277 PolarHBondContact O-N 3.5Å; L274-L277 PolarHBondContact O-N 3.16Å; E275-L277 PolarHBondContact O-N 3.26Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-F280 PolarHBondContact O-N 3.09Å; L277-V281 WeakPolarHBondContact O-CB 3.3Å; L277-V281 VanDerWaalsContact O-CG2 3.28Å; L277-V281 WeakPolarHBondContact O-CG2 3.41Å; L277-V281 PolarHBondContact O-N 3.19Å
278	K	97.6	Very high	93.7	Very high	91 Å²	91	64.3 Å²	64.3	40%	0.396	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-46.5	173.6	-76.3	172.9	174.5	174.6	0	111.2	R117 I118 L274 E275 F280 V281 A282	R117-K278 WeakPolarHBondContact O-CE 3.44Å; I118-K278 HydrophobicContact CG2-CG 4.21Å; L274-K278 HydrophobicContact CG-CD 4.23Å; L274-K278 WeakPolarHBondContact O-CB 3.39Å; L274-K278 WeakPolarHBondContact O-CG 3.5Å; L274-K278 PolarHBondContact O-N 2.78Å; E275-K278 PolarHBondContact O-N 2.76Å; K278-F280 VanDerWaalsContact C-N 3.33Å; K278-F280 PolarHBondContact O-N 3.31Å; K278-V281 PolarHBondContact O-N 3.49Å; K278-A282 WeakPolarHBondContact O-CB 3.16Å; K278-A282 PolarHBondContact O-N 3.35Å
279	Q	97.9	Very high	93.6	Very high	90 Å²	90	65 Å²	65	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-59.1	-46.4	178.4	-178.8	59.9	26.8	0	0	111.4	E275 R276 L277 H283 E284	E275-Q279 WeakPolarHBondContact O-CB 3.33Å; E275-Q279 PolarHBondContact O-N 3.25Å; R276-Q279 WeakPolarHBondContact O-CB 3.12Å; R276-Q279 PolarHBondContact O-N 3.37Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; Q279-H283 WeakPolarHBondContact O-CB 3.27Å; Q279-H283 PolarHBondContact O-N 3.36Å; Q279-H283 VanDerWaalsContact O-N 3.14Å; Q279-H283 PolarHBondContact OE1-CD2 3.24Å; Q279-H283 VanDerWaalsContact OE1-CD2 3.24Å; Q279-E284 WeakPolarHBondContact CG-OE1 3.18Å; Q279-E284 PolarHBondContact O-N 3.28Å; Q279-E284 VanDerWaalsContact O-N 3.17Å
280	F	98.1	Very high	93.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.318	C	S	.	.	I	π-helix	trans	-61.2	-53.8	179.1	-174.1	-133.1	0	0	0	111.8	A187 I189 L228 V254 R276 L277 K278 E284 L285	A187-F280 HydrophobicContact CB-CE1 3.74Å; A187-F280 HydrophobicContact CB-CZ 3.61Å; I189-F280 HydrophobicContact CD1-CD1 4.07Å; I189-F280 HydrophobicContact CD1-CE1 4.13Å; I189-F280 HydrophobicContact CG1-CD1 4.16Å; I189-F280 HydrophobicContact CG1-CE1 3.8Å; L228-F280 HydrophobicContact CB-CD1 4.09Å; L228-F280 HydrophobicContact CB-CE1 3.82Å; L228-F280 HydrophobicContact CB-CE2 4.43Å; L228-F280 HydrophobicContact CB-CG 4.49Å; L228-F280 HydrophobicContact CB-CZ 3.99Å; L228-F280 HydrophobicContact CD2-CB 4.04Å; L228-F280 HydrophobicContact CD2-CD1 3.68Å; L228-F280 HydrophobicContact CD2-CE1 4.26Å; L228-F280 HydrophobicContact CD2-CG 3.9Å; V254-F280 HydrophobicContact CB-CE2 4.22Å; V254-F280 HydrophobicContact CG1-CE2 3.91Å; V254-F280 HydrophobicContact CG2-CD2 3.95Å; V254-F280 HydrophobicContact CG2-CE2 3.53Å; V254-F280 HydrophobicContact CG2-CZ 4.12Å; R276-F280 WeakPolarHBondContact O-CB 3.29Å; R276-F280 PolarHBondContact O-N 3.37Å; L277-F280 PolarHBondContact O-N 3.09Å; K278-F280 VanDerWaalsContact C-N 3.33Å; K278-F280 PolarHBondContact O-N 3.31Å; F280-E284 HydrophobicContact CD2-CB 4.03Å; F280-E284 WeakPolarHBondContact CD2-OE2 3.36Å; F280-E284 PolarHBondContact O-N 3.32Å; F280-L285 HydrophobicContact CD1-CD1 4.31Å; F280-L285 HydrophobicContact CD1-CG 4.49Å; F280-L285 HydrophobicContact CD2-CD2 4.32Å; F280-L285 HydrophobicContact CD2-CG 4.24Å; F280-L285 HydrophobicContact CE1-CD1 4.05Å; F280-L285 HydrophobicContact CE1-CD2 4.28Å; F280-L285 HydrophobicContact CE1-CG 4.29Å; F280-L285 HydrophobicContact CE2-CD2 3.61Å; F280-L285 HydrophobicContact CE2-CG 3.99Å; F280-L285 HydrophobicContact CG-CG 4.49Å; F280-L285 HydrophobicContact CZ-CD1 4.23Å; F280-L285 HydrophobicContact CZ-CD2 3.62Å; F280-L285 HydrophobicContact CZ-CG 4.05Å; F280-L285 WeakPolarHBondContact O-CG 3.31Å; F280-L285 PolarHBondContact O-N 2.79Å
281	V	97	Very high	93.2	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.042	32%	0.319	C	S	.	.	I	π-helix	trans	-72.7	-43.9	-172.1	174.6	0	0	0	0	112.4	Y92 I118 C120 I165 L277 K278	Y92-V281 HydrophobicContact CD2-CG1 3.85Å; Y92-V281 HydrophobicContact CE2-CG1 4.43Å; I118-V281 HydrophobicContact CD1-CG2 4.49Å; C120-V281 VanDerWaalsContact SG-CG1 3.6Å; I165-V281 HydrophobicContact CD1-CG1 4.46Å; I165-V281 HydrophobicContact CD1-CG2 3.92Å; L277-V281 WeakPolarHBondContact O-CB 3.3Å; L277-V281 VanDerWaalsContact O-CG2 3.28Å; L277-V281 WeakPolarHBondContact O-CG2 3.41Å; L277-V281 PolarHBondContact O-N 3.19Å; K278-V281 PolarHBondContact O-N 3.49Å
282	A	93.9	Very high	93	Very high	54 Å²	54	60.3 Å²	60.3	45%	0.446	31%	0.307	S	S	.	.	I	π-helix	trans	-85.5	-25.1	-172.1	0	0	0	0	0	113.4	K278 V286	K278-A282 WeakPolarHBondContact O-CB 3.16Å; K278-A282 PolarHBondContact O-N 3.35Å; A282-V286 WeakPolarHBondContact O-CG2 3.45Å
283	H	91.6	Very high	92.7	Very high	100 Å²	100	59.8 Å²	59.8	46%	0.463	31%	0.306	S	S	.	.	I	π-helix	trans	-122	-51	-172.2	-58.2	-63.4	0	0	0	113	Q279 N287	Q279-H283 WeakPolarHBondContact O-CB 3.27Å; Q279-H283 PolarHBondContact O-N 3.36Å; Q279-H283 VanDerWaalsContact O-N 3.14Å; Q279-H283 PolarHBondContact OE1-CD2 3.24Å; Q279-H283 VanDerWaalsContact OE1-CD2 3.24Å; H283-N287 PolarHBondContact O-ND2 3.04Å
284	E	93.8	Very high	92.3	Very high	48 Å²	48	63.2 Å²	63.2	22%	0.224	33%	0.325	C	S	.	.	I	π-helix	trans	-71.1	-52.8	-175.7	-67.7	166.1	-137.3	0	0	111.3	R276 Q279 F280 V286 N287 L288	R276-E284 IonicContact CZ-OE1 3.39Å; R276-E284 IonicContact CZ-OE2 3.05Å; R276-E284 IonicContact NH1-OE1 3.18Å; R276-E284 PolarHBondContact NH1-OE1 3.48Å; R276-E284 IonicContact NH1-OE2 3.44Å; R276-E284 PolarHBondContact NH1-OE2 2.5Å; R276-E284 IonicContact NH2-OE1 2.73Å; R276-E284 PolarHBondContact NH2-OE1 3.42Å; R276-E284 IonicContact NH2-OE2 3.61Å; R276-E284 PolarHBondContact NH2-OE2 2.91Å; Q279-E284 WeakPolarHBondContact CG-OE1 3.18Å; Q279-E284 PolarHBondContact O-N 3.28Å; Q279-E284 VanDerWaalsContact O-N 3.17Å; F280-E284 HydrophobicContact CD2-CB 4.03Å; F280-E284 WeakPolarHBondContact CD2-OE2 3.36Å; F280-E284 PolarHBondContact O-N 3.32Å; E284-V286 PolarHBondContact O-N 3.32Å; E284-V286 VanDerWaalsContact O-N 3.1Å; E284-N287 PolarHBondContact O-N 3.18Å; E284-L288 WeakPolarHBondContact O-CG 3.43Å; E284-L288 PolarHBondContact O-N 3.13Å
285	L	91.3	Very high	91.9	Very high	8 Å²	8	64.9 Å²	64.9	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-66	-15.8	-178.4	-65.8	-174	0	0	0	114.9	Y92 I165 A187 P226 F280 N287 L288	Y92-L285 HydrophobicContact CE2-CB 4.23Å; Y92-L285 PolarHBondContact OH-O 2.85Å; Y92-L285 VanDerWaalsContact OH-O 3.07Å; I165-L285 HydrophobicContact CD1-CD1 3.58Å; I165-L285 HydrophobicContact CG1-CD1 4.01Å; A187-L285 HydrophobicContact CB-CD1 3.75Å; A187-L285 HydrophobicContact CB-CD2 3.7Å; A187-L285 HydrophobicContact CB-CG 4.37Å; P226-L285 HydrophobicContact CB-CD2 4.44Å; F280-L285 HydrophobicContact CD1-CD1 4.31Å; F280-L285 HydrophobicContact CD1-CG 4.49Å; F280-L285 HydrophobicContact CD2-CD2 4.32Å; F280-L285 HydrophobicContact CD2-CG 4.24Å; F280-L285 HydrophobicContact CE1-CD1 4.05Å; F280-L285 HydrophobicContact CE1-CD2 4.28Å; F280-L285 HydrophobicContact CE1-CG 4.29Å; F280-L285 HydrophobicContact CE2-CD2 3.61Å; F280-L285 HydrophobicContact CE2-CG 3.99Å; F280-L285 HydrophobicContact CG-CG 4.49Å; F280-L285 HydrophobicContact CZ-CD1 4.23Å; F280-L285 HydrophobicContact CZ-CD2 3.62Å; F280-L285 HydrophobicContact CZ-CG 4.05Å; F280-L285 WeakPolarHBondContact O-CG 3.31Å; F280-L285 PolarHBondContact O-N 2.79Å; L285-N287 VanDerWaalsContact C-N 3.34Å; L285-L288 HydrophobicContact CD2-CD1 3.99Å
286	V	83.3	Confident	91.4	Very high	62 Å²	62	59.5 Å²	59.5	38%	0.376	31%	0.31	S	S	.	.	H	α-helix	trans	-80.6	-23.5	176.3	176.9	0	0	0	0	111.3	A282 E284	A282-V286 WeakPolarHBondContact O-CG2 3.45Å; E284-V286 PolarHBondContact O-N 3.32Å; E284-V286 VanDerWaalsContact O-N 3.1Å
287	N	72.9	Confident	90.8	Very high	135 Å²	135	62.4 Å²	62.4	72%	0.722	33%	0.328	S	S	*	.	H	α-helix	trans	-110.6	-0.6	-171.4	-65.9	-47.1	0	0	0	113.9	H283 E284 L285	H283-N287 PolarHBondContact O-ND2 3.04Å; E284-N287 PolarHBondContact O-N 3.18Å; L285-N287 VanDerWaalsContact C-N 3.34Å
288	L	74.3	Confident	90.1	Very high	154 Å²	154	68.1 Å²	68.1	81%	0.806	36%	0.358	S	S	*	.			trans	-85.8	0	169.3	-66	171.4	0	0	0	110.1	P226 E284 L285	P226-L288 HydrophobicContact CB-CD1 3.93Å; P226-L288 HydrophobicContact CG-CD1 3.6Å; E284-L288 WeakPolarHBondContact O-CG 3.43Å; E284-L288 PolarHBondContact O-N 3.13Å; L285-L288 HydrophobicContact CD2-CD1 3.99Å

Retrieved 288 of 288 residues in 56.7 ms (Link to these results)

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