A0A096LYL1_POEFO Loading...

Elastase 2 like

AlphaFold DB , UniProt , Accession A0A096LYL1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 267 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	T	46	Very low	43.4	Very low	193 Å²	193	149.5 Å²	149.5	100%	1.184	82%	0.816	S	S	*	*				0	98.9	0	6.9	0	0	0	0	108.3	K3	T1-K3 PolarHBondContact O-N 3.48Å
2	M	36.7	Very low	43.8	Very low	165 Å²	165	144.8 Å²	144.8	81%	0.813	81%	0.812	S	S	*	*			trans	-84.1	111.8	-175	-146.6	162.8	76.2	0	0	108.4	F4	M2-F4 HydrophobicContact CE-CE2 3.92Å; M2-F4 HydrophobicContact CE-CZ 4.17Å; M2-F4 PolarHBondContact O-N 3.44Å
3	K	41	Very low	44.6	Very low	198 Å²	198	137.3 Å²	137.3	86%	0.861	79%	0.787	S	S	*	*			trans	-83.8	110.6	177.5	-73.3	-175.6	176.2	-178.2	0	108.6	T1 V5	T1-K3 PolarHBondContact O-N 3.48Å; K3-V5 PolarHBondContact O-N 3.48Å
4	F	41.3	Very low	45.7	Very low	174 Å²	174	134.8 Å²	134.8	76%	0.763	79%	0.791	S	S	*	*			trans	-72.7	118	165.3	-86	-90.5	0	0	0	108.7	M2	M2-F4 HydrophobicContact CE-CE2 3.92Å; M2-F4 HydrophobicContact CE-CZ 4.17Å; M2-F4 PolarHBondContact O-N 3.44Å
5	V	45	Very low	47.6	Very low	122 Å²	122	131.7 Å²	131.7	74%	0.739	76%	0.762	S	S	*	*			trans	-87.1	107.1	166.7	177.5	0	0	0	0	106.4	K3 L7	K3-V5 PolarHBondContact O-N 3.48Å; V5-L7 PolarHBondContact O-N 3.3Å
6	V	47.5	Very low	50	Low	129 Å²	129	126.1 Å²	126.1	78%	0.782	74%	0.74	S	S	*	*			trans	-78.9	104.5	170.3	178.8	0	0	0	0	106.9	A8	V6-A8 PolarHBondContact O-N 3.04Å; V6-A8 VanDerWaalsContact O-N 3.14Å
7	L	42.1	Very low	52.7	Low	139 Å²	139	121.6 Å²	121.6	73%	0.728	72%	0.717	S	S	*	*			trans	-75.5	97	170.8	-145	85.4	0	0	0	107.3	V5 L9	V5-L7 PolarHBondContact O-N 3.3Å; L7-L9 PolarHBondContact O-N 3.14Å
8	A	47	Very low	55.2	Low	84 Å²	84	114.9 Å²	114.9	69%	0.694	68%	0.677	S	S	*	*			trans	-70.2	98.6	169.9	0	0	0	0	0	108.2	V6 L10	V6-A8 PolarHBondContact O-N 3.04Å; V6-A8 VanDerWaalsContact O-N 3.14Å; A8-L10 VanDerWaalsContact C-N 3.35Å; A8-L10 PolarHBondContact O-N 3.02Å
9	L	43.1	Very low	57.3	Low	147 Å²	147	113.6 Å²	113.6	77%	0.77	67%	0.667	S	S	*	*			trans	-67.5	95.8	166.6	-81.8	156.1	0	0	0	107.6	L7 V11	L7-L9 PolarHBondContact O-N 3.14Å; L9-V11 VanDerWaalsContact C-N 3.27Å; L9-V11 PolarHBondContact O-N 2.98Å
10	L	41.8	Very low	59.2	Low	167 Å²	167	108.2 Å²	108.2	87%	0.874	64%	0.635	S	S	*	*			trans	-69.1	91.6	162.5	-78.8	161.5	0	0	0	107.2	A8 A12	A8-L10 VanDerWaalsContact C-N 3.35Å; A8-L10 PolarHBondContact O-N 3.02Å; L10-A12 PolarHBondContact O-N 3Å
11	V	46	Very low	61	Low	126 Å²	126	106.2 Å²	106.2	76%	0.764	63%	0.625	S	S	*	*			trans	-71.8	89.9	165.2	-176.9	0	0	0	0	106.1	L9 G13	L9-V11 VanDerWaalsContact C-N 3.27Å; L9-V11 PolarHBondContact O-N 2.98Å; V11-G13 PolarHBondContact O-N 3.14Å
12	A	48	Very low	63.3	Low	94 Å²	94	100.1 Å²	100.1	78%	0.777	58%	0.582	S	S	*	*			trans	-67.4	101	162.6	0	0	0	0	0	106.5	L10 A14	L10-A12 PolarHBondContact O-N 3Å; A12-A14 PolarHBondContact O-N 3.06Å; A12-A14 VanDerWaalsContact O-N 3.14Å
13	G	54.1	Low	66.1	Low	47 Å²	47	97 Å²	97	49%	0.485	57%	0.565	S	S	.	*			trans	-61.1	115.1	171.6	0	0	0	0	0	108.6	V11 Y15	V11-G13 PolarHBondContact O-N 3.14Å; G13-Y15 PolarHBondContact O-N 3.07Å; G13-Y15 VanDerWaalsContact O-N 3.12Å
14	A	60.7	Low	68.6	Low	102 Å²	102	88.1 Å²	88.1	84%	0.843	53%	0.528	S	S	*	.			trans	-73.3	100.3	167.5	0	0	0	0	0	107.2	A12 G16	A12-A14 PolarHBondContact O-N 3.06Å; A12-A14 VanDerWaalsContact O-N 3.14Å; A14-G16 PolarHBondContact O-N 2.82Å; A14-G16 VanDerWaalsContact O-N 3.07Å
15	Y	73.5	Confident	71	Confident	89 Å²	89	83.8 Å²	83.8	35%	0.349	51%	0.512	S	S	.	.			trans	-67.6	106.5	173	-64	-79.2	0	0	0	108.7	G13 F131 D133	G13-Y15 PolarHBondContact O-N 3.07Å; G13-Y15 VanDerWaalsContact O-N 3.12Å; Y15-F131 HydrophobicContact CD2-CB 3.64Å; Y15-F131 HydrophobicContact CE2-CB 4.28Å; Y15-F131 HydrophobicContact CG-CB 3.82Å; Y15-D133 PolarHBondContact OH-N 3.12Å; Y15-D133 PolarHBondContact OH-OD1 2.83Å
16	G	86.7	Confident	72.9	Confident	41 Å²	41	81.6 Å²	81.6	42%	0.423	50%	0.498	S	S	.	.			trans	-77	-178.6	164.5	0	0	0	0	0	111.2	A14	A14-G16 PolarHBondContact O-N 2.82Å; A14-G16 VanDerWaalsContact O-N 3.07Å
17	C	95.6	Very high	74.1	Confident	51 Å²	51	78.8 Å²	78.8	35%	0.345	49%	0.485	S	S	.	.	S	Bend	trans	-81.7	158.5	169.3	65.8	0	0	0	0	110.9	N19 P137 C139	C17-N19 PolarHBondContact O-N 3.46Å; C17-N19 PolarHBondContact O-ND2 2.85Å; C17-P137 CarbonylContact C-O 3.57Å; C17-P137 WeakPolarHBondContact CA-O 3.4Å; C17-P137 HydrophobicContact CB-CG 4.31Å; C17-C139 HydrophobicContact CB-CB 3.98Å; C17-C139 WeakPolarHBondContact CB-SG 3.42Å; C17-C139 PolarHBondContact O-SG 3.47Å; C17-C139 WeakPolarHBondContact SG-CA 3.33Å; C17-C139 WeakPolarHBondContact SG-CB 3.46Å; C17-C139 CovalentContact SG-SG 2.05Å; C17-C139 PolarHBondContact SG-SG 3.42Å
18	G	96.8	Very high	74.8	Confident	0 Å²	0	83.3 Å²	83.3	0%	0	49%	0.492	C	S	.	.	S	Bend	trans	66.6	9.6	163.1	0	0	0	0	0	116.6	P20 P137 W227	G18-P20 WeakPolarHBondContact O-CD 3.3Å; G18-P137 PolarHBondContact N-O 2.85Å; G18-W227 WeakPolarHBondContact CA-O 3.2Å; G18-W227 WeakPolarHBondContact O-CB 3.44Å; G18-W227 PolarHBondContact O-N 3.4Å
19	N	96.4	Very high	74.9	Confident	91 Å²	91	81.8 Å²	81.8	49%	0.487	47%	0.474	S	S	.	.			trans	-122	83.8	-174	-74.9	-67.5	0	0	0	110.8	C17 H136	C17-N19 PolarHBondContact O-N 3.46Å; C17-N19 PolarHBondContact O-ND2 2.85Å; N19-H136 VanDerWaalsContact C-CE1 3.47Å; N19-H136 PolarHBondContact O-CE1 3.27Å; N19-H136 VanDerWaalsContact O-CE1 3.27Å; N19-H136 PolarHBondContact O-NE2 2.99Å
20	P	95.6	Very high	75.3	Confident	4 Å²	4	79 Å²	79	3%	0.026	46%	0.463	C	S	.	.			trans	-67.1	134.5	-174.4	28.6	-34.4	0	0	0	112.6	G18 F22 Q23 P41 W42 H136	G18-P20 WeakPolarHBondContact O-CD 3.3Å; P20-F22 WeakPolarHBondContact CB-O 3.33Å; P20-F22 PolarHBondContact O-N 3.25Å; P20-Q23 PolarHBondContact O-NE2 3.27Å; P20-P41 HydrophobicContact CB-CG 3.99Å; P20-W42 HydrophobicContact CB-CZ3 4.48Å; P20-W42 HydrophobicContact CG-CH2 4.37Å; P20-H136 VanDerWaalsContact CA-NE2 3.33Å; P20-H136 WeakPolarHBondContact CA-NE2 3.31Å
21	T	95.8	Very high	76.2	Confident	67 Å²	67	76.7 Å²	76.7	41%	0.411	45%	0.452	S	S	.	.	S	Bend	trans	-56.7	-41.4	170.9	-61.3	0	0	0	0	110.3	D133	T21-D133 HydrophobicContact CG2-CB 4.04Å; T21-D133 WeakPolarHBondContact CG2-OD1 3.06Å; T21-D133 PolarHBondContact OG1-OD1 2.79Å
22	F	95.3	Very high	77.4	Confident	65 Å²	65	71.9 Å²	71.9	29%	0.285	43%	0.427	S	S	.	.	S	Bend	trans	-97.5	106.6	174.3	-52.7	-76.2	0	0	0	110.1	P20 H38 S39 D133 T134	P20-F22 WeakPolarHBondContact CB-O 3.33Å; P20-F22 PolarHBondContact O-N 3.25Å; F22-H38 HydrophobicContact CD2-CB 3.74Å; F22-H38 HydrophobicContact CE2-CB 4.14Å; F22-S39 WeakPolarHBondContact O-CA 3.48Å; F22-S39 WeakPolarHBondContact O-CB 3.33Å; F22-D133 HydrophobicContact CE2-CB 4Å; F22-D133 HydrophobicContact CZ-CB 4.47Å; F22-T134 HydrophobicContact CE2-CG2 4.14Å
23	Q	95.4	Very high	79.3	Confident	99 Å²	99	69.6 Å²	69.6	46%	0.463	40%	0.401	S	S	.	.			trans	-67.1	134.5	-177.7	-65.6	-65.7	-43.7	0	0	112.2	P20 R36	P20-Q23 PolarHBondContact O-NE2 3.27Å; Q23-R36 VanDerWaalsContact O-CD 3.29Å; Q23-R36 WeakPolarHBondContact O-CD 3.29Å; Q23-R36 PolarHBondContact O-NH1 3.45Å
24	P	93.9	Very high	81.1	Confident	13 Å²	13	71.7 Å²	71.7	8%	0.084	40%	0.401	C	S	.	.			trans	-65.7	148.7	177.5	26.9	-33.6	0	0	0	111.1	V26 W40 W227	P24-V26 HydrophobicContact CB-CG1 4.35Å; P24-V26 HydrophobicContact CG-CG1 4.24Å; P24-V26 PolarHBondContact O-N 2.89Å; P24-W40 HydrophobicContact CB-CH2 4.11Å; P24-W40 HydrophobicContact CB-CZ2 3.52Å; P24-W40 HydrophobicContact CG-CH2 3.94Å; P24-W40 HydrophobicContact CG-CZ2 3.89Å; P24-W40 HydrophobicContact CG-CZ3 4.46Å; P24-W227 HydrophobicContact CG-CZ2 3.63Å
25	I	90.4	Very high	82.8	Confident	83 Å²	83	67 Å²	67	43%	0.426	36%	0.361	S	S	.	.			trans	-84.2	114.7	173.5	-59.6	174.6	0	0	0	106.6	S27 R36 Q173	I25-S27 WeakPolarHBondContact CG2-OG 3.33Å; I25-R36 HydrophobicContact CD1-CB 4.2Å; I25-R36 HydrophobicContact CG1-CB 4.27Å; I25-Q173 PolarHBondContact O-NE2 3.46Å
26	V	84.2	Confident	83.8	Confident	75 Å²	75	67.9 Å²	67.9	46%	0.455	36%	0.364	S	S	.	.			trans	-112.8	16	-173	-62.8	0	0	0	0	113.3	P24 F154 W227	P24-V26 HydrophobicContact CB-CG1 4.35Å; P24-V26 HydrophobicContact CG-CG1 4.24Å; P24-V26 PolarHBondContact O-N 2.89Å; V26-F154 HydrophobicContact CB-CE2 4.22Å; V26-F154 HydrophobicContact CB-CZ 3.73Å; V26-F154 HydrophobicContact CG1-CE1 4.44Å; V26-F154 HydrophobicContact CG1-CE2 3.91Å; V26-F154 HydrophobicContact CG1-CZ 3.76Å; V26-W227 HydrophobicContact CG1-CH2 3.96Å; V26-W227 HydrophobicContact CG1-CZ2 3.96Å
27	S	73.1	Confident	84.3	Confident	71 Å²	71	69 Å²	69	50%	0.497	36%	0.364	S	S	.	.	S	Bend	trans	-65.1	161.3	176.4	47.9	0	0	0	0	112.1	I25 V29	I25-S27 WeakPolarHBondContact CG2-OG 3.33Å; S27-V29 WeakPolarHBondContact O-CG2 3.46Å; S27-V29 PolarHBondContact O-N 2.78Å
28	R	57.2	Low	84.3	Confident	234 Å²	234	68.4 Å²	68.4	88%	0.883	36%	0.356	S	S	*	.			trans	-62.7	105.5	178.3	-176.5	-178.7	-180	177.4	0.8	110.3
29	V	50	Low	84.3	Confident	51 Å²	51	68.4 Å²	68.4	31%	0.309	36%	0.356	S	S	.	.			trans	-122.4	138.1	177.8	179.4	0	0	0	0	108.9	S27 E33	S27-V29 WeakPolarHBondContact O-CG2 3.46Å; S27-V29 PolarHBondContact O-N 2.78Å; V29-E33 HydrophobicContact CB-CG 4.48Å; V29-E33 HydrophobicContact CG1-CB 3.78Å; V29-E33 HydrophobicContact CG1-CG 3.95Å; V29-E33 VanDerWaalsContact CG2-OE2 3.32Å; V29-E33 WeakPolarHBondContact CG2-OE2 3.11Å
30	V	51.1	Low	84.4	Confident	90 Å²	90	64.3 Å²	64.3	55%	0.545	33%	0.334	S	S	.	.	S	Bend	trans	-111.1	131.5	-172.2	-176.3	0	0	0	0	107.9	V206	V30-V206 HydrophobicContact CG1-CG1 4.14Å
31	N	61.1	Low	84.5	Confident	118 Å²	118	64.3 Å²	64.3	63%	0.631	33%	0.333	S	S	*	.	S	Bend	trans	80.1	20.1	180	-55.8	-27.8	0	0	0	117.8	V206	N31-V206 WeakPolarHBondContact OD1-CG1 3.32Å
32	G	69.9	Low	84.6	Confident	24 Å²	24	61.1 Å²	61.1	25%	0.247	31%	0.314	C	S	.	.			trans	71.3	160	-174.1	0	0	0	0	0	111.9	Q173	G32-Q173 CarbonylContact C-O 3.53Å; G32-Q173 WeakPolarHBondContact CA-O 3.25Å
33	E	87.8	Confident	84.8	Confident	47 Å²	47	58.2 Å²	58.2	22%	0.22	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	159.7	-178.7	61.8	-178.9	161.1	0	0	112.1	V29 V35 Q172 Q173	V29-E33 HydrophobicContact CB-CG 4.48Å; V29-E33 HydrophobicContact CG1-CB 3.78Å; V29-E33 HydrophobicContact CG1-CG 3.95Å; V29-E33 VanDerWaalsContact CG2-OE2 3.32Å; V29-E33 WeakPolarHBondContact CG2-OE2 3.11Å; E33-V35 PolarHBondContact O-N 3.25Å; E33-Q172 VanDerWaalsContact C-OE1 3.31Å; E33-Q172 CarbonylContact O-C 3.46Å; E33-Q172 VanDerWaalsContact O-CA 3.3Å; E33-Q172 WeakPolarHBondContact O-CA 3.29Å; E33-Q172 PolarHBondContact O-OE1 3.17Å; E33-Q173 HydrophobicContact CG-CG 3.69Å; E33-Q173 PolarHBondContact N-O 3.33Å; E33-Q173 PolarHBondContact O-N 3.17Å; E33-Q173 PolarHBondContact OE1-NE2 3.36Å
34	D	93.7	Very high	84.9	Confident	91 Å²	91	53.5 Å²	53.5	49%	0.487	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	125.5	166.7	-68.1	-9.4	0	0	0	109.5	I170 Q172	D34-I170 HydrophobicContact CB-CG2 3.82Å; D34-Q172 PolarHBondContact OD1-NE2 3.2Å
35	V	94.8	Very high	85.1	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.018	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-61.3	140.4	173.6	157	0	0	0	0	109.7	E33 P37 H88 L171 Q173	E33-V35 PolarHBondContact O-N 3.25Å; V35-P37 WeakPolarHBondContact O-CD 3.45Å; V35-H88 PolarHBondContact O-CE1 3.06Å; V35-L171 HydrophobicContact CB-CB 4.17Å; V35-L171 HydrophobicContact CB-CD2 4.18Å; V35-L171 HydrophobicContact CB-CG 3.99Å; V35-L171 VanDerWaalsContact CB-O 3.3Å; V35-L171 WeakPolarHBondContact CB-O 3.43Å; V35-L171 HydrophobicContact CG1-CD2 3.92Å; V35-L171 HydrophobicContact CG1-CG 4.29Å; V35-L171 HydrophobicContact CG2-CB 4.48Å; V35-L171 HydrophobicContact CG2-CD2 4.19Å; V35-L171 HydrophobicContact CG2-CG 3.85Å; V35-L171 PolarHBondContact N-O 3.27Å; V35-Q173 HydrophobicContact CG2-CB 3.51Å; V35-Q173 HydrophobicContact CG2-CG 3.68Å
36	R	95.6	Very high	85.5	Confident	108 Å²	108	48.9 Å²	48.9	41%	0.408	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-58.2	123.9	162.9	178.6	-173.1	177.4	-179.7	2.5	108.4	Q23 I25 H38 S39	Q23-R36 VanDerWaalsContact O-CD 3.29Å; Q23-R36 WeakPolarHBondContact O-CD 3.29Å; Q23-R36 PolarHBondContact O-NH1 3.45Å; I25-R36 HydrophobicContact CD1-CB 4.2Å; I25-R36 HydrophobicContact CG1-CB 4.27Å; R36-H38 PolarHBondContact O-N 2.91Å; R36-S39 VanDerWaalsContact O-CB 3.29Å; R36-S39 WeakPolarHBondContact O-CB 3.3Å; R36-S39 PolarHBondContact O-N 3.43Å; R36-S39 PolarHBondContact O-OG 3.46Å
37	P	96.1	Very high	86.2	Confident	64 Å²	64	45.8 Å²	45.8	42%	0.416	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.1	128.7	-174.8	-29.5	31.7	0	0	0	113.1	V35 S39 H88	V35-P37 WeakPolarHBondContact O-CD 3.45Å; P37-S39 PolarHBondContact O-N 3.48Å; P37-H88 HydrophobicContact CB-CB 4.49Å
38	H	95.9	Very high	87.4	Confident	39 Å²	39	44.8 Å²	44.8	18%	0.181	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	17.8	177.8	-42.4	-64.4	0	0	0	116	F22 R36 W40 G86 T134	F22-H38 HydrophobicContact CD2-CB 3.74Å; F22-H38 HydrophobicContact CE2-CB 4.14Å; R36-H38 PolarHBondContact O-N 2.91Å; H38-W40 VanDerWaalsContact C-N 3.25Å; H38-W40 PolarHBondContact O-N 2.78Å; H38-G86 PolarHBondContact CE1-O 2.98Å; H38-G86 PolarHBondContact ND1-O 3.41Å; H38-T134 HydrophobicContact CB-CG2 3.77Å; H38-T134 VanDerWaalsContact CG-CG2 3.44Å
39	S	97	Very high	89.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-78.5	-6.3	177.4	73.2	0	0	0	0	115.6	F22 R36 P37 P41	F22-S39 WeakPolarHBondContact O-CA 3.48Å; F22-S39 WeakPolarHBondContact O-CB 3.33Å; R36-S39 VanDerWaalsContact O-CB 3.29Å; R36-S39 WeakPolarHBondContact O-CB 3.3Å; R36-S39 PolarHBondContact O-N 3.43Å; R36-S39 PolarHBondContact O-OG 3.46Å; P37-S39 PolarHBondContact O-N 3.48Å; S39-P41 VanDerWaalsContact C-CD 3.48Å
40	W	97.8	Very high	91.4	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.019	18%	0.183	C	C	.	.	S	Bend	trans	-126.9	67.4	172.4	-58	107.5	0	0	0	109.6	P24 H38 W42 Q43 F154 T156 N219 W227	P24-W40 HydrophobicContact CB-CH2 4.11Å; P24-W40 HydrophobicContact CB-CZ2 3.52Å; P24-W40 HydrophobicContact CG-CH2 3.94Å; P24-W40 HydrophobicContact CG-CZ2 3.89Å; P24-W40 HydrophobicContact CG-CZ3 4.46Å; H38-W40 VanDerWaalsContact C-N 3.25Å; H38-W40 PolarHBondContact O-N 2.78Å; W40-W42 AromaticContact CE3-CE2 3.89Å; W40-W42 HydrophobicContact CE3-CH2 4.11Å; W40-W42 AromaticContact CE3-CZ2 3.35Å; W40-W42 HydrophobicContact CE3-CZ2 3.35Å; W40-W42 HydrophobicContact CZ3-CH2 4.36Å; W40-W42 AromaticContact CZ3-CZ2 3.67Å; W40-W42 HydrophobicContact CZ3-CZ2 3.67Å; W40-W42 PolarHBondContact O-N 2.6Å; W40-W42 VanDerWaalsContact O-N 3.1Å; W40-Q43 HydrophobicContact CB-CB 4.26Å; W40-Q43 WeakPolarHBondContact O-CB 3.18Å; W40-Q43 PolarHBondContact O-N 3.22Å; W40-F154 HydrophobicContact CH2-CB 4.14Å; W40-F154 HydrophobicContact CH2-CD2 4.48Å; W40-F154 HydrophobicContact CH2-CG 4.4Å; W40-F154 HydrophobicContact CZ2-CB 4.02Å; W40-F154 HydrophobicContact CZ2-CG 4.21Å; W40-T156 HydrophobicContact CB-CG2 4.49Å; W40-T156 HydrophobicContact CD2-CG2 3.86Å; W40-T156 HydrophobicContact CG-CG2 3.73Å; W40-T156 HydrophobicContact CZ2-CG2 4.45Å; W40-N219 HydrophobicContact CE3-CB 4.1Å; W40-N219 HydrophobicContact CH2-CB 3.88Å; W40-N219 HydrophobicContact CZ3-CB 3.46Å; W40-N219 VanDerWaalsContact CZ3-CB 3.46Å; W40-W227 AromaticContact CH2-CD2 3.82Å; W40-W227 HydrophobicContact CH2-CD2 3.82Å; W40-W227 AromaticContact CH2-CE2 3.9Å; W40-W227 AromaticContact CH2-CE3 3.64Å; W40-W227 HydrophobicContact CH2-CE3 3.64Å; W40-W227 AromaticContact CH2-CH2 3.65Å; W40-W227 HydrophobicContact CH2-CH2 3.65Å; W40-W227 AromaticContact CH2-CZ2 3.83Å; W40-W227 HydrophobicContact CH2-CZ2 3.83Å; W40-W227 AromaticContact CH2-CZ3 3.55Å; W40-W227 HydrophobicContact CH2-CZ3 3.55Å; W40-W227 AromaticContact CZ3-CD2 3.59Å; W40-W227 HydrophobicContact CZ3-CD2 3.59Å; W40-W227 AromaticContact CZ3-CE3 3.61Å; W40-W227 HydrophobicContact CZ3-CE3 3.61Å; W40-W227 HydrophobicContact CZ3-CG 4.04Å; W40-W227 HydrophobicContact CZ3-CH2 4.41Å; W40-W227 HydrophobicContact CZ3-CZ2 4.4Å; W40-W227 HydrophobicContact CZ3-CZ3 4.04Å
41	P	97.6	Very high	93.5	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.019	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-10.5	-165.6	26.3	-33.2	0	0	0	114.4	P20 S39 T134 H136	P20-P41 HydrophobicContact CB-CG 3.99Å; S39-P41 VanDerWaalsContact C-CD 3.48Å; P41-T134 WeakPolarHBondContact CB-O 3.47Å; P41-H136 CarbonylContact C-O 3.59Å; P41-H136 WeakPolarHBondContact CG-CE1 3.31Å; P41-H136 WeakPolarHBondContact CG-NE2 3.47Å
42	W	98.6	Very high	95.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-11.6	170.8	49.4	83	0	0	0	113.7	P20 W40 I44 T61 L62 H136 A138 N219 W227	P20-W42 HydrophobicContact CB-CZ3 4.48Å; P20-W42 HydrophobicContact CG-CH2 4.37Å; W40-W42 AromaticContact CE3-CE2 3.89Å; W40-W42 HydrophobicContact CE3-CH2 4.11Å; W40-W42 AromaticContact CE3-CZ2 3.35Å; W40-W42 HydrophobicContact CE3-CZ2 3.35Å; W40-W42 HydrophobicContact CZ3-CH2 4.36Å; W40-W42 AromaticContact CZ3-CZ2 3.67Å; W40-W42 HydrophobicContact CZ3-CZ2 3.67Å; W40-W42 PolarHBondContact O-N 2.6Å; W40-W42 VanDerWaalsContact O-N 3.1Å; W42-I44 PolarHBondContact O-N 2.05Å; W42-T61 HydrophobicContact CB-CG2 4.2Å; W42-T61 HydrophobicContact CG-CG2 4.33Å; W42-T61 CarbonylContact O-C 3.58Å; W42-T61 WeakPolarHBondContact O-CA 3.36Å; W42-L62 HydrophobicContact CB-CB 4.21Å; W42-L62 PolarHBondContact O-N 2.81Å; W42-H136 WeakPolarHBondContact CA-O 3.45Å; W42-H136 WeakPolarHBondContact CB-O 3.43Å; W42-H136 AromaticContact CZ3-CE1 3.85Å; W42-H136 PolarHBondContact N-O 2.81Å; W42-A138 HydrophobicContact CB-CB 3.96Å; W42-A138 HydrophobicContact CD2-CB 3.62Å; W42-A138 HydrophobicContact CE3-CB 4.17Å; W42-A138 HydrophobicContact CG-CB 3.54Å; W42-N219 PolarHBondContact NE1-OD1 2.72Å; W42-W227 HydrophobicContact CH2-CB 3.37Å; W42-W227 AromaticContact CH2-CD1 3.97Å; W42-W227 AromaticContact CH2-CG 3.79Å; W42-W227 HydrophobicContact CH2-CG 3.79Å; W42-W227 HydrophobicContact CZ2-CB 3.49Å; W42-W227 VanDerWaalsContact CZ2-CB 3.49Å; W42-W227 HydrophobicContact CZ2-CG 4.04Å; W42-W227 HydrophobicContact CZ3-CB 4.46Å
43	Q	98.7	Very high	96.3	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.019	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	126.9	175.7	177.9	68.9	58.1	0	0	109.3	W40 T156 W158 L171	W40-Q43 HydrophobicContact CB-CB 4.26Å; W40-Q43 WeakPolarHBondContact O-CB 3.18Å; W40-Q43 PolarHBondContact O-N 3.22Å; Q43-T156 PolarHBondContact OE1-O 3.33Å; Q43-T156 VanDerWaalsContact OE1-O 3.13Å; Q43-T156 PolarHBondContact OE1-OG1 2.95Å; Q43-W158 HydrophobicContact CG-CH2 3.73Å; Q43-W158 HydrophobicContact CG-CZ3 3.59Å; Q43-L171 HydrophobicContact CB-CD2 4.32Å; Q43-L171 HydrophobicContact CG-CD1 3.83Å; Q43-L171 HydrophobicContact CG-CD2 4.02Å
44	I	98.6	Very high	96.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	157.4	173.4	70	75.3	0	0	0	112	W42 L46 G59 G60 L62 V68 V83 G84 L85	W42-I44 PolarHBondContact O-N 2.05Å; I44-L46 HydrophobicContact CD1-CB 3.91Å; I44-G59 WeakPolarHBondContact O-CA 3.4Å; I44-G60 PolarHBondContact N-O 3.23Å; I44-G60 VanDerWaalsContact N-O 3.12Å; I44-G60 PolarHBondContact O-N 3.1Å; I44-L62 HydrophobicContact CG2-CB 4.34Å; I44-V68 HydrophobicContact CD1-CG1 4.1Å; I44-V68 HydrophobicContact CG1-CG1 3.71Å; I44-V68 HydrophobicContact CG2-CG2 4.41Å; I44-V83 HydrophobicContact CB-CG1 3.65Å; I44-V83 HydrophobicContact CD1-CG1 4.15Å; I44-V83 HydrophobicContact CG1-CG1 3.92Å; I44-V83 HydrophobicContact CG2-CG1 3.85Å; I44-G84 WeakPolarHBondContact CA-O 3.08Å; I44-L85 HydrophobicContact CG2-CD2 3.43Å; I44-L85 VanDerWaalsContact CG2-CD2 3.43Å; I44-L85 HydrophobicContact CG2-CG 3.91Å
45	S	98.5	Very high	96.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	106.4	167.7	-177.4	0	0	0	0	108.2	Q47 H56 G84 L90	S45-Q47 PolarHBondContact OG-NE2 3.19Å; S45-H56 PolarHBondContact OG-ND1 2.94Å; S45-G84 PolarHBondContact N-O 3.24Å; S45-G84 PolarHBondContact O-N 3.09Å; S45-L90 WeakPolarHBondContact OG-CD2 3.46Å
46	L	98.7	Very high	96.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122.6	171.4	-176.3	63.3	0	0	0	108.3	I44 T57 C58 C74 I75 Y81 V83 I123	I44-L46 HydrophobicContact CD1-CB 3.91Å; L46-T57 HydrophobicContact CG-CG2 4.35Å; L46-T57 WeakPolarHBondContact O-CG2 3.42Å; L46-T57 PolarHBondContact O-N 2.87Å; L46-C58 WeakPolarHBondContact CA-O 3.18Å; L46-C58 HydrophobicContact CB-CB 4.23Å; L46-C58 WeakPolarHBondContact CB-O 3.06Å; L46-C58 HydrophobicContact CD2-CB 4.25Å; L46-C58 PolarHBondContact N-O 3.03Å; L46-C58 PolarHBondContact O-N 3.06Å; L46-C74 HydrophobicContact CD2-CB 4.15Å; L46-I75 HydrophobicContact CD2-CD1 3.92Å; L46-Y81 HydrophobicContact CD1-CD1 3.79Å; L46-Y81 HydrophobicContact CD1-CG 4.28Å; L46-Y81 HydrophobicContact CD2-CD1 4.13Å; L46-Y81 HydrophobicContact CD2-CE1 4.18Å; L46-Y81 HydrophobicContact CG-CD1 3.87Å; L46-Y81 HydrophobicContact CG-CE1 4.31Å; L46-V83 HydrophobicContact CD1-CG2 4.33Å; L46-I123 HydrophobicContact CD1-CD1 3.63Å; L46-I123 HydrophobicContact CD2-CD1 4.13Å
47	Q	98.1	Very high	96.9	Very high	9 Å²	9	39.7 Å²	39.7	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142	-176.7	-58.1	-176.1	-8.6	0	0	110.4	S45 W54 R55 Y81 R82	S45-Q47 PolarHBondContact OG-NE2 3.19Å; Q47-W54 HydrophobicContact CB-CB 4.48Å; Q47-W54 HydrophobicContact CB-CE3 4.44Å; Q47-R55 CarbonylContact C-O 3.44Å; Q47-R55 WeakPolarHBondContact CA-O 3.24Å; Q47-R55 WeakPolarHBondContact CB-O 3.45Å; Q47-Y81 CarbonylContact O-C 3.56Å; Q47-Y81 VanDerWaalsContact O-CA 3.26Å; Q47-Y81 WeakPolarHBondContact O-CA 3.27Å; Q47-R82 HydrophobicContact CB-CG 3.95Å; Q47-R82 PolarHBondContact N-O 3.29Å; Q47-R82 PolarHBondContact O-N 2.97Å; Q47-R82 VanDerWaalsContact OE1-CZ 3.23Å
48	Y	97.6	Very high	97	Very high	50 Å²	50	36.9 Å²	36.9	20%	0.196	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	150.7	172.1	75	-78.5	0	0	0	110.7	W54 R55 T57 Q80	Y48-W54 WeakPolarHBondContact O-CA 3.47Å; Y48-R55 HydrophobicContact CD1-CB 4.39Å; Y48-R55 WeakPolarHBondContact CD1-O 3.49Å; Y48-R55 HydrophobicContact CE1-CB 3.89Å; Y48-R55 PolarHBondContact N-O 2.94Å; Y48-R55 PolarHBondContact O-N 2.81Å; Y48-T57 HydrophobicContact CD1-CG2 4.01Å; Y48-Q80 VanDerWaalsContact CA-O 3.3Å; Y48-Q80 WeakPolarHBondContact CA-O 3.03Å
49	N	97.4	Very high	97.1	Very high	46 Å²	46	35 Å²	35	25%	0.246	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	124.3	173.3	-167.5	-51.6	0	0	0	110	N51 G52 W54 Q80	N49-N51 PolarHBondContact OD1-N 2.67Å; N49-G52 WeakPolarHBondContact OD1-CA 3.45Å; N49-G52 PolarHBondContact OD1-N 2.75Å; N49-W54 HydrophobicContact CB-CD2 4.38Å; N49-W54 HydrophobicContact CB-CE3 3.95Å; N49-W54 HydrophobicContact CB-CH2 3.96Å; N49-W54 HydrophobicContact CB-CZ2 4.35Å; N49-W54 HydrophobicContact CB-CZ3 3.73Å; N49-Q80 HydrophobicContact CB-CB 4.19Å; N49-Q80 PolarHBondContact N-O 3.45Å
50	S	95.8	Very high	97.2	Very high	22 Å²	22	35 Å²	35	15%	0.154	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	94.4	173.5	-178.7	0	0	0	0	108.9	G52 E53 R55	S50-G52 VanDerWaalsContact C-N 3.33Å; S50-G52 PolarHBondContact O-N 3.17Å; S50-E53 PolarHBondContact N-O 2.95Å; S50-E53 PolarHBondContact O-N 2.87Å; S50-R55 PolarHBondContact OG-NH1 3.17Å
51	N	93.8	Very high	97.2	Very high	167 Å²	167	34.8 Å²	34.8	89%	0.893	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	41.7	177.8	-56.6	-30.3	0	0	0	113.8	N49	N49-N51 PolarHBondContact OD1-N 2.67Å
52	G	94.7	Very high	97.3	Very high	59 Å²	59	34.7 Å²	34.7	61%	0.608	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.3	-10.5	179.8	0	0	0	0	0	114.4	N49 S50	N49-G52 WeakPolarHBondContact OD1-CA 3.45Å; N49-G52 PolarHBondContact OD1-N 2.75Å; S50-G52 VanDerWaalsContact C-N 3.33Å; S50-G52 PolarHBondContact O-N 3.17Å
53	E	95.8	Very high	97.3	Very high	113 Å²	113	35.6 Å²	35.6	53%	0.528	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134	176.4	-66.1	179.9	178.2	0	0	111.4	S50 R55	S50-E53 PolarHBondContact N-O 2.95Å; S50-E53 PolarHBondContact O-N 2.87Å; E53-R55 IonicContact OE2-CZ 2.57Å; E53-R55 IonicContact OE2-NE 3.89Å; E53-R55 IonicContact OE2-NH2 3.61Å; E53-R55 PolarHBondContact OE2-NH2 3.36Å
54	W	96.4	Very high	97.2	Very high	80 Å²	80	36.9 Å²	36.9	30%	0.303	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.8	176.2	-66	102.5	0	0	0	110.5	Q47 Y48 N49 Q80 R82	Q47-W54 HydrophobicContact CB-CB 4.48Å; Q47-W54 HydrophobicContact CB-CE3 4.44Å; Y48-W54 WeakPolarHBondContact O-CA 3.47Å; N49-W54 HydrophobicContact CB-CD2 4.38Å; N49-W54 HydrophobicContact CB-CE3 3.95Å; N49-W54 HydrophobicContact CB-CH2 3.96Å; N49-W54 HydrophobicContact CB-CZ2 4.35Å; N49-W54 HydrophobicContact CB-CZ3 3.73Å; W54-Q80 HydrophobicContact CH2-CG 4Å; W54-R82 HydrophobicContact CD2-CG 3.88Å; W54-R82 HydrophobicContact CE3-CB 4.21Å; W54-R82 HydrophobicContact CE3-CG 3.52Å; W54-R82 HydrophobicContact CH2-CB 4.05Å; W54-R82 HydrophobicContact CH2-CG 4.21Å; W54-R82 HydrophobicContact CZ3-CB 3.85Å; W54-R82 HydrophobicContact CZ3-CG 3.7Å
55	R	95.2	Very high	97.2	Very high	108 Å²	108	40.3 Å²	40.3	41%	0.408	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.3	-177.4	-62.2	-172.3	-177.1	147	1.1	111.1	Q47 Y48 S50 E53 T57	Q47-R55 CarbonylContact C-O 3.44Å; Q47-R55 WeakPolarHBondContact CA-O 3.24Å; Q47-R55 WeakPolarHBondContact CB-O 3.45Å; Y48-R55 HydrophobicContact CD1-CB 4.39Å; Y48-R55 WeakPolarHBondContact CD1-O 3.49Å; Y48-R55 HydrophobicContact CE1-CB 3.89Å; Y48-R55 PolarHBondContact N-O 2.94Å; Y48-R55 PolarHBondContact O-N 2.81Å; S50-R55 PolarHBondContact OG-NH1 3.17Å; E53-R55 IonicContact OE2-CZ 2.57Å; E53-R55 IonicContact OE2-NE 3.89Å; E53-R55 IonicContact OE2-NH2 3.61Å; E53-R55 PolarHBondContact OE2-NH2 3.36Å; R55-T57 PolarHBondContact O-N 3.24Å
56	H	96.2	Very high	97.2	Very high	27 Å²	27	42.2 Å²	42.2	13%	0.125	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	135.3	170.4	178.9	74.2	0	0	0	110.3	S45 C58 L90 G212	S45-H56 PolarHBondContact OG-ND1 2.94Å; H56-C58 PolarHBondContact CE1-O 3.31Å; H56-C58 PolarHBondContact ND1-O 2.92Å; H56-L90 HydrophobicContact CB-CD1 3.92Å; H56-L90 HydrophobicContact CB-CD2 4.48Å; H56-G212 PolarHBondContact NE2-O 3.26Å
57	T	95.8	Very high	97.2	Very high	38 Å²	38	42.9 Å²	42.9	23%	0.233	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	-32.9	175.8	-173.3	0	0	0	0	113.2	L46 Y48 R55 Y81	L46-T57 HydrophobicContact CG-CG2 4.35Å; L46-T57 WeakPolarHBondContact O-CG2 3.42Å; L46-T57 PolarHBondContact O-N 2.87Å; Y48-T57 HydrophobicContact CD1-CG2 4.01Å; R55-T57 PolarHBondContact O-N 3.24Å; T57-Y81 HydrophobicContact CG2-CE1 4.31Å
58	C	98.2	Very high	97.2	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.027	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	160.7	-175.2	-79.9	0	0	0	0	110.3	L46 H56 C74 S214	L46-C58 WeakPolarHBondContact CA-O 3.18Å; L46-C58 HydrophobicContact CB-CB 4.23Å; L46-C58 WeakPolarHBondContact CB-O 3.06Å; L46-C58 HydrophobicContact CD2-CB 4.25Å; L46-C58 PolarHBondContact N-O 3.03Å; L46-C58 PolarHBondContact O-N 3.06Å; H56-C58 PolarHBondContact CE1-O 3.31Å; H56-C58 PolarHBondContact ND1-O 2.92Å; C58-C74 HydrophobicContact CB-CB 3.71Å; C58-C74 WeakPolarHBondContact CB-SG 3.22Å; C58-C74 WeakPolarHBondContact SG-CB 3.42Å; C58-C74 CovalentContact SG-SG 2.03Å; C58-C74 PolarHBondContact SG-SG 2.95Å; C58-S214 CarbonylContact C-O 3.46Å; C58-S214 WeakPolarHBondContact CA-O 3.36Å; C58-S214 WeakPolarHBondContact CB-O 3.39Å; C58-S214 VanDerWaalsContact SG-CB 3.54Å
59	G	98.4	Very high	97.3	Very high	1 Å²	1	40 Å²	40	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-171.5	163	0	0	0	0	0	113.1	I44 T70 S214	I44-G59 WeakPolarHBondContact O-CA 3.4Å; G59-T70 PolarHBondContact O-OG1 3.29Å; G59-S214 PolarHBondContact N-O 3.16Å
60	G	98.8	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.8	179.4	175.5	0	0	0	0	0	109.9	I44 L69 G215	I44-G60 PolarHBondContact N-O 3.23Å; I44-G60 VanDerWaalsContact N-O 3.12Å; I44-G60 PolarHBondContact O-N 3.1Å; G60-L69 CarbonylContact C-O 3.5Å; G60-L69 WeakPolarHBondContact CA-O 3.28Å; G60-G215 VanDerWaalsContact CA-O 3.24Å; G60-G215 WeakPolarHBondContact CA-O 3.49Å; G60-G215 PolarHBondContact N-O 2.98Å
61	T	98.9	Very high	97.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.6	-179.9	-53.4	0	0	0	0	110	W42 I63 V68 L69 A138 P217 V229	W42-T61 HydrophobicContact CB-CG2 4.2Å; W42-T61 HydrophobicContact CG-CG2 4.33Å; W42-T61 CarbonylContact O-C 3.58Å; W42-T61 WeakPolarHBondContact O-CA 3.36Å; T61-I63 HydrophobicContact CG2-CG2 3.86Å; T61-I63 PolarHBondContact O-N 3.49Å; T61-V68 CarbonylContact O-C 3.44Å; T61-V68 WeakPolarHBondContact O-CA 3.11Å; T61-L69 PolarHBondContact N-O 3.2Å; T61-L69 PolarHBondContact O-N 3.22Å; T61-A138 HydrophobicContact CG2-CB 3.7Å; T61-P217 WeakPolarHBondContact OG1-CB 3.46Å; T61-V229 HydrophobicContact CG2-CB 4.24Å; T61-V229 HydrophobicContact CG2-CG1 4.44Å; T61-V229 HydrophobicContact CG2-CG2 3.62Å
62	L	98.8	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	120.2	164.3	-171.3	71.2	0	0	0	109.4	W42 I44 S64 V68 L85 L125 L129 F131 V135 P137 A138	W42-L62 HydrophobicContact CB-CB 4.21Å; W42-L62 PolarHBondContact O-N 2.81Å; I44-L62 HydrophobicContact CG2-CB 4.34Å; L62-S64 WeakPolarHBondContact CD1-O 3.49Å; L62-S64 VanDerWaalsContact CG-O 3.24Å; L62-S64 WeakPolarHBondContact CG-O 3.34Å; L62-V68 HydrophobicContact CD1-CG2 3.9Å; L62-L85 HydrophobicContact CB-CD2 4.22Å; L62-L85 HydrophobicContact CD1-CD2 3.99Å; L62-L85 HydrophobicContact CD2-CD2 3.91Å; L62-L85 HydrophobicContact CG-CD2 4.27Å; L62-L125 HydrophobicContact CD1-CD1 4.18Å; L62-L129 HydrophobicContact CD1-CD2 4.04Å; L62-L129 HydrophobicContact CD2-CD1 4.29Å; L62-L129 HydrophobicContact CD2-CD2 4.1Å; L62-F131 HydrophobicContact CD2-CE1 4.34Å; L62-V135 HydrophobicContact CD2-CG1 3.89Å; L62-P137 HydrophobicContact CG-CB 4.46Å; L62-P137 CarbonylContact O-C 3.45Å; L62-P137 WeakPolarHBondContact O-CA 3.47Å; L62-P137 WeakPolarHBondContact O-CB 3.38Å; L62-A138 PolarHBondContact O-N 3.4Å
63	I	98.6	Very high	97.9	Very high	20 Å²	20	29.2 Å²	29.2	10%	0.103	14%	0.137	C	C	.	.			trans	-114.1	-12.2	-177.2	60.8	165.9	0	0	0	112.7	T61 W67 L69 L122 L140 I260 I264	T61-I63 HydrophobicContact CG2-CG2 3.86Å; T61-I63 PolarHBondContact O-N 3.49Å; I63-W67 HydrophobicContact CD1-CB 4.2Å; I63-W67 HydrophobicContact CG1-CB 3.85Å; I63-W67 VanDerWaalsContact CG1-O 3.3Å; I63-W67 WeakPolarHBondContact CG1-O 3.13Å; I63-W67 PolarHBondContact N-O 3.01Å; I63-L69 HydrophobicContact CD1-CB 4.4Å; I63-L69 HydrophobicContact CG2-CB 3.92Å; I63-L122 HydrophobicContact CD1-CD2 3.76Å; I63-L140 HydrophobicContact CB-CD2 4.43Å; I63-L140 HydrophobicContact CG2-CD2 3.85Å; I63-I260 HydrophobicContact CD1-CG2 4.14Å; I63-I264 HydrophobicContact CD1-CD1 4.15Å
64	S	97.8	Very high	98	Very high	31 Å²	31	24 Å²	24	22%	0.217	11%	0.114	C	C	.	.	S	Bend	trans	-155.2	-173.8	167.8	85.6	0	0	0	0	110.1	L62 Q66 W67	L62-S64 WeakPolarHBondContact CD1-O 3.49Å; L62-S64 VanDerWaalsContact CG-O 3.24Å; L62-S64 WeakPolarHBondContact CG-O 3.34Å; S64-Q66 PolarHBondContact O-N 2.87Å; S64-Q66 VanDerWaalsContact O-N 3.17Å; S64-Q66 PolarHBondContact OG-N 3.07Å; S64-W67 PolarHBondContact N-O 3.39Å; S64-W67 WeakPolarHBondContact OG-CB 3.43Å; S64-W67 VanDerWaalsContact OG-CD1 3.31Å; S64-W67 PolarHBondContact OG-N 3.2Å
65	N	97.2	Very high	98.1	Very high	71 Å²	71	21.9 Å²	21.9	38%	0.38	11%	0.107	S	C	.	.	S	Bend	trans	-68.2	-6.8	175.8	69.6	-18.3	0	0	0	114.6	P128 L129 F131	N65-P128 CarbonylContact O-C 3.56Å; N65-P128 VanDerWaalsContact O-CA 3.3Å; N65-P128 WeakPolarHBondContact O-CA 3.24Å; N65-L129 WeakPolarHBondContact CB-O 3.49Å; N65-L129 WeakPolarHBondContact O-CG 3.45Å; N65-L129 PolarHBondContact O-N 2.97Å; N65-F131 HydrophobicContact CB-CE1 3.8Å; N65-F131 HydrophobicContact CB-CE2 4.45Å; N65-F131 HydrophobicContact CB-CZ 3.65Å
66	Q	98.3	Very high	98.1	Very high	40 Å²	40	18.9 Å²	18.9	19%	0.187	10%	0.103	C	C	.	.	S	Bend	trans	-142.9	2.3	-179.8	-155.5	176.9	-19.6	0	0	113.8	S64 K124 L125 P128	S64-Q66 PolarHBondContact O-N 2.87Å; S64-Q66 VanDerWaalsContact O-N 3.17Å; S64-Q66 PolarHBondContact OG-N 3.07Å; Q66-K124 HydrophobicContact CG-CG 4.31Å; Q66-K124 WeakPolarHBondContact O-CA 3.34Å; Q66-L125 HydrophobicContact CG-CB 4.03Å; Q66-L125 WeakPolarHBondContact CG-O 3.37Å; Q66-L125 PolarHBondContact NE2-O 3.24Å; Q66-L125 PolarHBondContact O-N 2.99Å; Q66-P128 HydrophobicContact CB-CB 4.38Å; Q66-P128 HydrophobicContact CG-CB 4.49Å
67	W	98.8	Very high	97.9	Very high	14 Å²	14	24 Å²	24	5%	0.053	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132	-174.4	-69.9	100	0	0	0	112	I63 S64 I106 L122 K124 I264 N267	I63-W67 HydrophobicContact CD1-CB 4.2Å; I63-W67 HydrophobicContact CG1-CB 3.85Å; I63-W67 VanDerWaalsContact CG1-O 3.3Å; I63-W67 WeakPolarHBondContact CG1-O 3.13Å; I63-W67 PolarHBondContact N-O 3.01Å; S64-W67 PolarHBondContact N-O 3.39Å; S64-W67 WeakPolarHBondContact OG-CB 3.43Å; S64-W67 VanDerWaalsContact OG-CD1 3.31Å; S64-W67 PolarHBondContact OG-N 3.2Å; W67-I106 HydrophobicContact CH2-CD1 4.04Å; W67-I106 HydrophobicContact CZ3-CD1 4.07Å; W67-L122 HydrophobicContact CE3-CB 4.08Å; W67-L122 HydrophobicContact CE3-CD2 4.45Å; W67-L122 HydrophobicContact CZ3-CB 3.99Å; W67-L122 HydrophobicContact CZ3-CD1 4.45Å; W67-K124 HydrophobicContact CD2-CB 4.44Å; W67-K124 HydrophobicContact CD2-CG 4.4Å; W67-K124 HydrophobicContact CE3-CB 4.02Å; W67-K124 HydrophobicContact CE3-CG 4.46Å; W67-K124 HydrophobicContact CH2-CB 3.78Å; W67-K124 HydrophobicContact CH2-CD 3.89Å; W67-K124 HydrophobicContact CH2-CG 4.02Å; W67-K124 HydrophobicContact CZ2-CB 4.2Å; W67-K124 HydrophobicContact CZ2-CD 3.69Å; W67-K124 HydrophobicContact CZ2-CG 3.91Å; W67-K124 HydrophobicContact CZ3-CB 3.67Å; W67-K124 HydrophobicContact CZ3-CG 4.28Å; W67-I264 HydrophobicContact CB-CD1 4.44Å; W67-I264 HydrophobicContact CD2-CD1 4.46Å; W67-I264 HydrophobicContact CD2-CG1 3.79Å; W67-I264 HydrophobicContact CE3-CG1 4.22Å; W67-I264 HydrophobicContact CG-CD1 4.18Å; W67-I264 HydrophobicContact CG-CG1 4Å; W67-I264 HydrophobicContact CZ2-CB 4.42Å; W67-I264 HydrophobicContact CZ2-CG1 4.26Å; W67-N267 HydrophobicContact CH2-CB 3.78Å; W67-N267 HydrophobicContact CZ2-CB 4.04Å; W67-N267 WeakPolarHBondContact CZ2-OXT 3.25Å
68	V	98.9	Very high	97.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.6	175.5	166.4	0	0	0	0	109.6	I44 T61 L62 V83 L122 I123 L125	I44-V68 HydrophobicContact CD1-CG1 4.1Å; I44-V68 HydrophobicContact CG1-CG1 3.71Å; I44-V68 HydrophobicContact CG2-CG2 4.41Å; T61-V68 CarbonylContact O-C 3.44Å; T61-V68 WeakPolarHBondContact O-CA 3.11Å; L62-V68 HydrophobicContact CD1-CG2 3.9Å; V68-V83 HydrophobicContact CG2-CG1 4.2Å; V68-L122 CarbonylContact O-C 3.56Å; V68-L122 WeakPolarHBondContact O-CA 3.48Å; V68-I123 HydrophobicContact CB-CB 4.13Å; V68-I123 HydrophobicContact CG1-CB 4.5Å; V68-I123 HydrophobicContact CG1-CD1 4.48Å; V68-I123 PolarHBondContact N-O 2.93Å; V68-I123 PolarHBondContact O-N 3.11Å; V68-L125 HydrophobicContact CG2-CD1 4.49Å; V68-L125 HydrophobicContact CG2-CD2 4.16Å; V68-L125 HydrophobicContact CG2-CG 4.47Å
69	L	98.9	Very high	97.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.2	172.2	-165.9	65	0	0	0	110	G60 T61 I63 I120 L122 L140 I232 V253 I260	G60-L69 CarbonylContact C-O 3.5Å; G60-L69 WeakPolarHBondContact CA-O 3.28Å; T61-L69 PolarHBondContact N-O 3.2Å; T61-L69 PolarHBondContact O-N 3.22Å; I63-L69 HydrophobicContact CD1-CB 4.4Å; I63-L69 HydrophobicContact CG2-CB 3.92Å; L69-I120 HydrophobicContact CD1-CD1 3.94Å; L69-I120 HydrophobicContact CD1-CG1 3.84Å; L69-L122 HydrophobicContact CD1-CD2 3.77Å; L69-L122 HydrophobicContact CD1-CG 4.44Å; L69-L140 HydrophobicContact CD2-CD2 4.49Å; L69-I232 HydrophobicContact CD1-CD1 4.02Å; L69-I232 HydrophobicContact CD2-CD1 3.71Å; L69-I232 HydrophobicContact CD2-CG1 3.95Å; L69-I232 HydrophobicContact CG-CD1 3.58Å; L69-I232 HydrophobicContact CG-CG1 4.12Å; L69-V253 HydrophobicContact CD2-CG1 4.15Å; L69-V253 HydrophobicContact CD2-CG2 3.92Å; L69-I260 HydrophobicContact CD1-CD1 4.09Å; L69-I260 HydrophobicContact CD1-CG1 4.31Å; L69-I260 HydrophobicContact CD2-CD1 4.47Å
70	T	98.9	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	-178.5	175.8	-167.9	0	0	0	0	110.6	G59 I75 A121 I123	G59-T70 PolarHBondContact O-OG1 3.29Å; T70-I75 HydrophobicContact CG2-CD1 4.23Å; T70-A121 HydrophobicContact CG2-CB 4.12Å; T70-A121 PolarHBondContact N-O 3.43Å; T70-A121 PolarHBondContact O-N 3.34Å; T70-I123 HydrophobicContact CG2-CD1 3.8Å; T70-I123 HydrophobicContact CG2-CG1 4.18Å
71	A	98.8	Very high	97.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.219	C	C	.	.			trans	-82.3	146.9	177.6	0	0	0	0	0	111.4	H73 C74 I232	A71-H73 VanDerWaalsContact C-N 3.34Å; A71-H73 PolarHBondContact O-N 2.67Å; A71-C74 WeakPolarHBondContact O-CB 3.29Å; A71-C74 PolarHBondContact O-N 3.09Å; A71-I232 HydrophobicContact CB-CG2 3.98Å
72	A	98.8	Very high	97.4	Very high	1 Å²	1	40 Å²	40	1%	0.008	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-64.2	-39.7	176.7	0	0	0	0	0	111.7	C74 I75 V107 W111 D119	A72-C74 PolarHBondContact O-N 3.12Å; A72-C74 VanDerWaalsContact O-N 3.14Å; A72-I75 PolarHBondContact O-N 3.31Å; A72-V107 HydrophobicContact CB-CG1 3.74Å; A72-W111 HydrophobicContact CB-CB 4.08Å; A72-W111 HydrophobicContact CB-CD2 3.47Å; A72-W111 VanDerWaalsContact CB-CD2 3.47Å; A72-W111 HydrophobicContact CB-CE3 3.85Å; A72-W111 HydrophobicContact CB-CG 3.54Å; A72-D119 WeakPolarHBondContact CA-OD1 3.29Å; A72-D119 WeakPolarHBondContact CB-OD1 3.38Å; A72-D119 PolarHBondContact N-OD1 3.08Å
73	H	98.2	Very high	97.4	Very high	66 Å²	66	40 Å²	40	31%	0.306	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-65.3	-16.6	-178.9	78	-100.6	0	0	0	113.8	A71 I75 W111 D119 S214 S234	A71-H73 VanDerWaalsContact C-N 3.34Å; A71-H73 PolarHBondContact O-N 2.67Å; H73-I75 PolarHBondContact O-N 3.31Å; H73-W111 HydrophobicContact CB-CH2 3.97Å; H73-W111 HydrophobicContact CB-CZ2 3.62Å; H73-D119 IonicContact CE1-OD2 3.24Å; H73-D119 IonicContact CG-OD1 2.71Å; H73-D119 IonicContact CG-OD2 3.56Å; H73-D119 PolarHBondContact N-OD1 3.4Å; H73-D119 IonicContact ND1-OD1 3.53Å; H73-D119 PolarHBondContact ND1-OD1 3.13Å; H73-D119 IonicContact ND1-OD2 3.83Å; H73-D119 PolarHBondContact ND1-OD2 3.38Å; H73-S214 WeakPolarHBondContact NE2-CB 3.24Å; H73-S214 PolarHBondContact NE2-OG 2.84Å; H73-S234 PolarHBondContact CE1-O 3.31Å
74	C	98.2	Very high	97.4	Very high	4 Å²	4	39 Å²	39	3%	0.027	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-71.4	-19.8	173.9	-69	0	0	0	0	112.9	L46 C58 A71 A72 Y81	L46-C74 HydrophobicContact CD2-CB 4.15Å; C58-C74 HydrophobicContact CB-CB 3.71Å; C58-C74 WeakPolarHBondContact CB-SG 3.22Å; C58-C74 WeakPolarHBondContact SG-CB 3.42Å; C58-C74 CovalentContact SG-SG 2.03Å; C58-C74 PolarHBondContact SG-SG 2.95Å; A71-C74 WeakPolarHBondContact O-CB 3.29Å; A71-C74 PolarHBondContact O-N 3.09Å; A72-C74 PolarHBondContact O-N 3.12Å; A72-C74 VanDerWaalsContact O-N 3.14Å; C74-Y81 PolarHBondContact O-OH 3.48Å
75	I	98.3	Very high	97.4	Very high	34 Å²	34	37.5 Å²	37.5	17%	0.174	21%	0.214	C	C	.	.			trans	-97.9	124.4	-173	-49.7	-52.4	0	0	0	110	L46 T70 A72 H73 Y81 I105 V107 A121 I123	L46-I75 HydrophobicContact CD2-CD1 3.92Å; T70-I75 HydrophobicContact CG2-CD1 4.23Å; A72-I75 PolarHBondContact O-N 3.31Å; H73-I75 PolarHBondContact O-N 3.31Å; I75-Y81 WeakPolarHBondContact CA-OH 3.33Å; I75-Y81 HydrophobicContact CG2-CE2 4.41Å; I75-I105 HydrophobicContact CB-CG2 4.42Å; I75-I105 HydrophobicContact CD1-CD1 4.46Å; I75-I105 HydrophobicContact CD1-CG2 3.9Å; I75-I105 HydrophobicContact CG1-CG2 3.82Å; I75-I105 HydrophobicContact CG2-CG2 3.75Å; I75-V107 HydrophobicContact CB-CG2 3.85Å; I75-V107 HydrophobicContact CG1-CG2 4.13Å; I75-V107 HydrophobicContact CG2-CG2 3.88Å; I75-A121 HydrophobicContact CG1-CB 4.04Å; I75-I123 HydrophobicContact CD1-CD1 4.36Å
76	S	95.9	Very high	97.4	Very high	46 Å²	46	34.3 Å²	34.3	32%	0.322	20%	0.197	S	C	.	.			trans	-122.3	134.1	175.9	-59.9	0	0	0	0	110.1	R79 Y81	S76-R79 PolarHBondContact O-N 3.36Å; S76-Y81 PolarHBondContact N-OH 2.95Å
77	S	91.4	Very high	97.3	Very high	133 Å²	133	32.8 Å²	32.8	93%	0.93	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	140.1	175.2	-173.2	0	0	0	0	111.3	R79	S77-R79 VanDerWaalsContact C-N 3.26Å; S77-R79 PolarHBondContact O-N 3.12Å
78	G	90.6	Very high	97.2	Very high	86 Å²	86	33.3 Å²	33.3	89%	0.887	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	-2.5	179.5	0	0	0	0	0	115.5
79	R	95.3	Very high	97.2	Very high	111 Å²	111	34.2 Å²	34.2	42%	0.419	20%	0.198	S	C	.	.			trans	-85.9	137.9	171.1	-69.8	-168.7	-176.6	-177.8	-0.6	111	S76 S77 Y81	S76-R79 PolarHBondContact O-N 3.36Å; S77-R79 VanDerWaalsContact C-N 3.26Å; S77-R79 PolarHBondContact O-N 3.12Å; R79-Y81 HydrophobicContact CB-CD2 4.21Å; R79-Y81 HydrophobicContact CB-CE2 3.52Å; R79-Y81 WeakPolarHBondContact O-CD2 3.26Å
80	Q	97.3	Very high	97	Very high	121 Å²	121	35.7 Å²	35.7	57%	0.565	21%	0.205	S	C	*	.			trans	-88.4	130.1	167.8	-170.2	-175.3	14.7	0	0	109.3	Y48 N49 W54	Y48-Q80 VanDerWaalsContact CA-O 3.3Å; Y48-Q80 WeakPolarHBondContact CA-O 3.03Å; N49-Q80 HydrophobicContact CB-CB 4.19Å; N49-Q80 PolarHBondContact N-O 3.45Å; W54-Q80 HydrophobicContact CH2-CG 4Å
81	Y	98.5	Very high	96.7	Very high	6 Å²	6	41.7 Å²	41.7	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	151.5	-178.5	-68.2	-85.5	0	0	0	112.4	L46 Q47 T57 C74 I75 S76 R79 I105	L46-Y81 HydrophobicContact CD1-CD1 3.79Å; L46-Y81 HydrophobicContact CD1-CG 4.28Å; L46-Y81 HydrophobicContact CD2-CD1 4.13Å; L46-Y81 HydrophobicContact CD2-CE1 4.18Å; L46-Y81 HydrophobicContact CG-CD1 3.87Å; L46-Y81 HydrophobicContact CG-CE1 4.31Å; Q47-Y81 CarbonylContact O-C 3.56Å; Q47-Y81 VanDerWaalsContact O-CA 3.26Å; Q47-Y81 WeakPolarHBondContact O-CA 3.27Å; T57-Y81 HydrophobicContact CG2-CE1 4.31Å; C74-Y81 PolarHBondContact O-OH 3.48Å; I75-Y81 WeakPolarHBondContact CA-OH 3.33Å; I75-Y81 HydrophobicContact CG2-CE2 4.41Å; S76-Y81 PolarHBondContact N-OH 2.95Å; R79-Y81 HydrophobicContact CB-CD2 4.21Å; R79-Y81 HydrophobicContact CB-CE2 3.52Å; R79-Y81 WeakPolarHBondContact O-CD2 3.26Å; Y81-I105 HydrophobicContact CD2-CD1 3.61Å; Y81-I105 HydrophobicContact CE2-CD1 4.31Å; Y81-I105 HydrophobicContact CG-CD1 4.1Å
82	R	98.3	Very high	96.5	Very high	55 Å²	55	47 Å²	47	21%	0.208	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	158.5	162.6	75.1	178.4	-174.2	174.4	2.8	110.2	Q47 W54 F99 L100	Q47-R82 HydrophobicContact CB-CG 3.95Å; Q47-R82 PolarHBondContact N-O 3.29Å; Q47-R82 PolarHBondContact O-N 2.97Å; Q47-R82 VanDerWaalsContact OE1-CZ 3.23Å; W54-R82 HydrophobicContact CD2-CG 3.88Å; W54-R82 HydrophobicContact CE3-CB 4.21Å; W54-R82 HydrophobicContact CE3-CG 3.52Å; W54-R82 HydrophobicContact CH2-CB 4.05Å; W54-R82 HydrophobicContact CH2-CG 4.21Å; W54-R82 HydrophobicContact CZ3-CB 3.85Å; W54-R82 HydrophobicContact CZ3-CG 3.7Å; R82-F99 HydrophobicContact CG-CD1 4.48Å; R82-L100 CarbonylContact C-O 3.47Å; R82-L100 VanDerWaalsContact CA-O 3.3Å; R82-L100 WeakPolarHBondContact CA-O 3.21Å; R82-L100 WeakPolarHBondContact CB-O 3.4Å
83	V	98.6	Very high	96.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120	178.8	-179.2	0	0	0	0	108.6	I44 L46 V68 L85 F99 L100 T102 I123 L125	I44-V83 HydrophobicContact CB-CG1 3.65Å; I44-V83 HydrophobicContact CD1-CG1 4.15Å; I44-V83 HydrophobicContact CG1-CG1 3.92Å; I44-V83 HydrophobicContact CG2-CG1 3.85Å; L46-V83 HydrophobicContact CD1-CG2 4.33Å; V68-V83 HydrophobicContact CG2-CG1 4.2Å; V83-L85 HydrophobicContact CG1-CD1 3.99Å; V83-L85 HydrophobicContact CG1-CG 3.99Å; V83-F99 VanDerWaalsContact O-CA 3.32Å; V83-F99 WeakPolarHBondContact O-CA 3.27Å; V83-L100 PolarHBondContact N-O 2.9Å; V83-L100 PolarHBondContact O-N 2.8Å; V83-T102 HydrophobicContact CG2-CG2 4.27Å; V83-I123 HydrophobicContact CG2-CG2 4.23Å; V83-L125 HydrophobicContact CB-CD2 3.87Å; V83-L125 HydrophobicContact CG1-CD2 4.26Å; V83-L125 HydrophobicContact CG2-CD2 3.66Å
84	G	98.2	Very high	95.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.6	168	0	0	0	0	0	110.8	I44 S45 L98	I44-G84 WeakPolarHBondContact CA-O 3.08Å; S45-G84 PolarHBondContact N-O 3.24Å; S45-G84 PolarHBondContact O-N 3.09Å; G84-L98 WeakPolarHBondContact CA-O 3.49Å
85	L	98.1	Very high	95.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	152.9	-178.8	-68.4	130.5	0	0	0	110.5	I44 L62 V83 K87 S97 L98 L100 L125 L129 V135	I44-L85 HydrophobicContact CG2-CD2 3.43Å; I44-L85 VanDerWaalsContact CG2-CD2 3.43Å; I44-L85 HydrophobicContact CG2-CG 3.91Å; L62-L85 HydrophobicContact CB-CD2 4.22Å; L62-L85 HydrophobicContact CD1-CD2 3.99Å; L62-L85 HydrophobicContact CD2-CD2 3.91Å; L62-L85 HydrophobicContact CG-CD2 4.27Å; V83-L85 HydrophobicContact CG1-CD1 3.99Å; V83-L85 HydrophobicContact CG1-CG 3.99Å; L85-K87 PolarHBondContact O-N 2.85Å; L85-S97 VanDerWaalsContact O-CA 3.28Å; L85-S97 WeakPolarHBondContact O-CA 3.19Å; L85-S97 WeakPolarHBondContact O-CB 3.34Å; L85-L98 HydrophobicContact CB-CD2 3.77Å; L85-L98 HydrophobicContact CB-CG 4.03Å; L85-L98 HydrophobicContact CD1-CD1 4.34Å; L85-L98 HydrophobicContact CD1-CG 4.19Å; L85-L98 PolarHBondContact N-O 3.12Å; L85-L98 PolarHBondContact O-N 3.31Å; L85-L100 HydrophobicContact CD1-CD1 4.12Å; L85-L125 HydrophobicContact CD1-CD1 4.49Å; L85-L129 HydrophobicContact CD1-CD2 3.84Å; L85-L129 HydrophobicContact CD2-CD2 4.1Å; L85-V135 HydrophobicContact CB-CG1 4.08Å; L85-V135 HydrophobicContact CB-CG2 4.1Å; L85-V135 HydrophobicContact CD2-CG1 3.83Å; L85-V135 HydrophobicContact CG-CG1 4.5Å
86	G	97.2	Very high	94.8	Very high	3 Å²	3	60.6 Å²	60.6	3%	0.031	34%	0.344	C	S	.	.	S	Bend	trans	66.9	15.1	178.5	0	0	0	0	0	113.9	H38 T134	H38-G86 PolarHBondContact CE1-O 2.98Å; H38-G86 PolarHBondContact ND1-O 3.41Å; G86-T134 WeakPolarHBondContact CA-O 2.94Å
87	K	96.9	Very high	94.7	Very high	9 Å²	9	59.7 Å²	59.7	4%	0.039	34%	0.338	C	S	.	.			trans	-80.6	141.7	-180	-67	-67.3	-65	139.9	0	110.7	L85 N89 E92 E94 F99 W158	L85-K87 PolarHBondContact O-N 2.85Å; K87-N89 WeakPolarHBondContact CE-O 3.48Å; K87-N89 PolarHBondContact NZ-O 2.84Å; K87-E92 PolarHBondContact NZ-O 3.39Å; K87-E94 WeakPolarHBondContact CA-OE2 3.3Å; K87-E94 IonicContact NZ-OE2 2.71Å; K87-E94 PolarHBondContact NZ-OE2 2.92Å; K87-F99 HydrophobicContact CD-CZ 4.03Å; K87-W158 HydrophobicContact CB-CH2 4.2Å; K87-W158 HydrophobicContact CB-CZ2 4.02Å; K87-W158 WeakPolarHBondContact O-CZ2 3.49Å
88	H	96.9	Very high	94.8	Very high	24 Å²	24	56 Å²	56	11%	0.111	31%	0.307	C	S	.	.	S	Bend	trans	-119.4	-46.4	166.4	173.4	66	0	0	0	111	V35 P37 E94 W158 I170 L171	V35-H88 PolarHBondContact O-CE1 3.06Å; P37-H88 HydrophobicContact CB-CB 4.49Å; H88-E94 WeakPolarHBondContact CA-OE1 3.43Å; H88-E94 VanDerWaalsContact CB-OE1 3.27Å; H88-E94 WeakPolarHBondContact CB-OE1 3.35Å; H88-E94 PolarHBondContact N-OE1 2.74Å; H88-E94 PolarHBondContact N-OE2 3.43Å; H88-W158 PolarHBondContact O-NE1 3.36Å; H88-I170 WeakPolarHBondContact CE1-CG2 3.48Å; H88-L171 PolarHBondContact O-N 2.83Å
89	N	97	Very high	95.2	Very high	19 Å²	19	55 Å²	55	10%	0.102	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-106.4	120.3	172.1	-175.9	-34.7	0	0	0	111.8	K87 L91 E92 E94 D169	K87-N89 WeakPolarHBondContact CE-O 3.48Å; K87-N89 PolarHBondContact NZ-O 2.84Å; N89-L91 PolarHBondContact O-N 3.45Å; N89-L91 PolarHBondContact OD1-N 2.94Å; N89-E92 HydrophobicContact CB-CB 4.16Å; N89-E92 HydrophobicContact CB-CG 4.13Å; N89-E92 PolarHBondContact ND2-OE1 2.92Å; N89-E92 PolarHBondContact O-N 2.88Å; N89-E94 PolarHBondContact N-OE1 2.78Å; N89-E94 PolarHBondContact N-OE2 2.82Å; N89-D169 CarbonylContact C-O 3.57Å; N89-D169 VanDerWaalsContact CA-O 3.24Å; N89-D169 WeakPolarHBondContact CA-O 3.23Å
90	L	94.9	Very high	95.3	Very high	31 Å²	31	51 Å²	51	16%	0.162	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.9	-177.8	-72.9	-179.6	0	0	0	114.8	S45 H56 W158 I167 D169	S45-L90 WeakPolarHBondContact OG-CD2 3.46Å; H56-L90 HydrophobicContact CB-CD1 3.92Å; H56-L90 HydrophobicContact CB-CD2 4.48Å; L90-W158 HydrophobicContact CD1-CB 3.55Å; L90-W158 HydrophobicContact CD1-CD2 4.21Å; L90-W158 HydrophobicContact CD1-CG 3.57Å; L90-W158 HydrophobicContact CD2-CD2 3.89Å; L90-W158 HydrophobicContact CD2-CE3 4.32Å; L90-W158 HydrophobicContact CD2-CG 4.11Å; L90-W158 HydrophobicContact CD2-CZ2 4.43Å; L90-W158 HydrophobicContact CG-CB 4.22Å; L90-W158 HydrophobicContact CG-CD2 3.97Å; L90-W158 HydrophobicContact CG-CG 3.66Å; L90-I167 HydrophobicContact CD1-CG2 4.37Å; L90-D169 PolarHBondContact N-O 3.3Å
91	L	93.8	Very high	95.3	Very high	127 Å²	127	46 Å²	46	67%	0.665	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-19.4	-175	-56.8	-174.7	0	0	0	113.3	N89 D169	N89-L91 PolarHBondContact O-N 3.45Å; N89-L91 PolarHBondContact OD1-N 2.94Å; L91-D169 HydrophobicContact CD1-CB 4.29Å; L91-D169 VanDerWaalsContact CD1-CG 3.46Å; L91-D169 WeakPolarHBondContact CD1-OD1 3.26Å; L91-D169 HydrophobicContact CG-CB 4.38Å
92	E	94.3	Very high	95.3	Very high	112 Å²	112	47.6 Å²	47.6	52%	0.523	26%	0.257	S	S	.	.	S	Bend	trans	-93.9	151.6	-175.1	-65.7	-174.9	-170.9	0	0	112.7	K87 N89 E94	K87-E92 PolarHBondContact NZ-O 3.39Å; N89-E92 HydrophobicContact CB-CB 4.16Å; N89-E92 HydrophobicContact CB-CG 4.13Å; N89-E92 PolarHBondContact ND2-OE1 2.92Å; N89-E92 PolarHBondContact O-N 2.88Å; E92-E94 HydrophobicContact CB-CG 4.16Å
93	N	90.4	Very high	95.2	Very high	157 Å²	157	47.7 Å²	47.7	84%	0.84	27%	0.27	S	S	*	.			trans	-91.5	102.3	166.8	-71.8	-40.3	0	0	0	108.4
94	E	93.1	Very high	95.2	Very high	30 Å²	30	50.6 Å²	50.6	14%	0.14	29%	0.288	C	S	.	.			trans	-97	134.3	-173.5	-65.3	164.1	127.9	0	0	110.2	K87 H88 N89 E92 G96 S97	K87-E94 WeakPolarHBondContact CA-OE2 3.3Å; K87-E94 IonicContact NZ-OE2 2.71Å; K87-E94 PolarHBondContact NZ-OE2 2.92Å; H88-E94 WeakPolarHBondContact CA-OE1 3.43Å; H88-E94 VanDerWaalsContact CB-OE1 3.27Å; H88-E94 WeakPolarHBondContact CB-OE1 3.35Å; H88-E94 PolarHBondContact N-OE1 2.74Å; H88-E94 PolarHBondContact N-OE2 3.43Å; N89-E94 PolarHBondContact N-OE1 2.78Å; N89-E94 PolarHBondContact N-OE2 2.82Å; E92-E94 HydrophobicContact CB-CG 4.16Å; E94-G96 PolarHBondContact O-N 2.84Å; E94-S97 WeakPolarHBondContact O-CB 3.46Å; E94-S97 PolarHBondContact O-N 2.79Å; E94-S97 VanDerWaalsContact O-N 3.09Å; E94-S97 PolarHBondContact O-OG 2.92Å
95	N	88.7	Confident	95.2	Very high	165 Å²	165	52.9 Å²	52.9	88%	0.882	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	136.1	174.2	-169.8	21.1	0	0	0	110	S97	N95-S97 VanDerWaalsContact C-N 3.25Å; N95-S97 PolarHBondContact O-N 2.91Å
96	G	84.6	Confident	95.2	Very high	37 Å²	37	53.8 Å²	53.8	38%	0.381	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-4.8	-174.1	0	0	0	0	0	114.9	E94	E94-G96 PolarHBondContact O-N 2.84Å
97	S	93.8	Very high	95.3	Very high	27 Å²	27	56 Å²	56	19%	0.189	32%	0.317	C	S	.	.			trans	-79.2	146.9	165.8	71.8	0	0	0	0	111	L85 E94 N95	L85-S97 VanDerWaalsContact O-CA 3.28Å; L85-S97 WeakPolarHBondContact O-CA 3.19Å; L85-S97 WeakPolarHBondContact O-CB 3.34Å; E94-S97 WeakPolarHBondContact O-CB 3.46Å; E94-S97 PolarHBondContact O-N 2.79Å; E94-S97 VanDerWaalsContact O-N 3.09Å; E94-S97 PolarHBondContact O-OG 2.92Å; N95-S97 VanDerWaalsContact C-N 3.25Å; N95-S97 PolarHBondContact O-N 2.91Å
98	L	95.3	Very high	95.4	Very high	55 Å²	55	56.4 Å²	56.4	29%	0.288	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	155.1	176.9	66.4	154.6	0	0	0	111.6	G84 L85 L100 L129 V135	G84-L98 WeakPolarHBondContact CA-O 3.49Å; L85-L98 HydrophobicContact CB-CD2 3.77Å; L85-L98 HydrophobicContact CB-CG 4.03Å; L85-L98 HydrophobicContact CD1-CD1 4.34Å; L85-L98 HydrophobicContact CD1-CG 4.19Å; L85-L98 PolarHBondContact N-O 3.12Å; L85-L98 PolarHBondContact O-N 3.31Å; L98-L100 HydrophobicContact CD1-CD1 3.82Å; L98-L100 HydrophobicContact CD1-CD2 4.44Å; L98-L100 HydrophobicContact CD1-CG 3.97Å; L98-L129 HydrophobicContact CD1-CB 4.43Å; L98-V135 HydrophobicContact CD2-CG1 4.46Å; L98-V135 HydrophobicContact CD2-CG2 3.76Å
99	F	97.2	Very high	95.4	Very high	65 Å²	65	60.5 Å²	60.5	29%	0.285	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.6	174.6	-65.8	-81.7	0	0	0	109.2	R82 V83 K87	R82-F99 HydrophobicContact CG-CD1 4.48Å; V83-F99 VanDerWaalsContact O-CA 3.32Å; V83-F99 WeakPolarHBondContact O-CA 3.27Å; K87-F99 HydrophobicContact CD-CZ 4.03Å
100	L	97.8	Very high	95.5	Very high	27 Å²	27	65 Å²	65	14%	0.141	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139	177.9	-67.2	173.8	0	0	0	110.6	R82 V83 L85 L98 L125 L129	R82-L100 CarbonylContact C-O 3.47Å; R82-L100 VanDerWaalsContact CA-O 3.3Å; R82-L100 WeakPolarHBondContact CA-O 3.21Å; R82-L100 WeakPolarHBondContact CB-O 3.4Å; V83-L100 PolarHBondContact N-O 2.9Å; V83-L100 PolarHBondContact O-N 2.8Å; L85-L100 HydrophobicContact CD1-CD1 4.12Å; L98-L100 HydrophobicContact CD1-CD1 3.82Å; L98-L100 HydrophobicContact CD1-CD2 4.44Å; L98-L100 HydrophobicContact CD1-CG 3.97Å; L100-L125 HydrophobicContact CB-CD2 4.41Å; L100-L125 HydrophobicContact CD1-CD1 3.97Å; L100-L129 HydrophobicContact CD1-CB 4.21Å; L100-L129 HydrophobicContact CD1-CD2 4.24Å
101	G	98.2	Very high	95.7	Very high	17 Å²	17	66.3 Å²	66.3	18%	0.175	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	171.4	168.1	0	0	0	0	0	112.6	E126	G101-E126 PolarHBondContact N-OE1 2.98Å; G101-E126 PolarHBondContact O-N 2.96Å
102	T	97.6	Very high	95.9	Very high	39 Å²	39	63.2 Å²	63.2	24%	0.239	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.5	178	61.5	0	0	0	0	109.3	V83 I105 I123	V83-T102 HydrophobicContact CG2-CG2 4.27Å; T102-I105 HydrophobicContact CG2-CD1 4.38Å; T102-I123 HydrophobicContact CG2-CG2 3.38Å
103	A	97.5	Very high	96	Very high	58 Å²	58	62.1 Å²	62.1	48%	0.479	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-42.7	173.1	0	0	0	0	0	111	K124	A103-K124 PolarHBondContact N-O 2.86Å
104	T	97.1	Very high	96.3	Very high	60 Å²	60	62.6 Å²	62.6	37%	0.368	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	141.5	-178.1	-60.4	0	0	0	0	109.3	I106 K124	T104-I106 HydrophobicContact CG2-CG1 3.91Å; T104-K124 PolarHBondContact N-O 2.85Å; T104-K124 PolarHBondContact O-N 3.29Å
105	I	98.5	Very high	96.4	Very high	48 Å²	48	66.1 Å²	66.1	25%	0.246	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.9	172.7	-54.4	179.4	0	0	0	107.6	I75 Y81 T102 L122 I123	I75-I105 HydrophobicContact CB-CG2 4.42Å; I75-I105 HydrophobicContact CD1-CD1 4.46Å; I75-I105 HydrophobicContact CD1-CG2 3.9Å; I75-I105 HydrophobicContact CG1-CG2 3.82Å; I75-I105 HydrophobicContact CG2-CG2 3.75Å; Y81-I105 HydrophobicContact CD2-CD1 3.61Å; Y81-I105 HydrophobicContact CE2-CD1 4.31Å; Y81-I105 HydrophobicContact CG-CD1 4.1Å; T102-I105 HydrophobicContact CG2-CD1 4.38Å; I105-L122 CarbonylContact C-O 3.57Å; I105-L122 WeakPolarHBondContact CA-O 3.47Å; I105-I123 HydrophobicContact CG1-CG1 4.18Å; I105-I123 HydrophobicContact CG1-CG2 4.39Å; I105-I123 HydrophobicContact CG2-CG1 4.1Å
106	I	98.6	Very high	96.8	Very high	20 Å²	20	60.3 Å²	60.3	10%	0.103	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	103.6	-176.3	-50.5	173.2	0	0	0	107.3	W67 T104 A121 L122 W259 K263 N267	W67-I106 HydrophobicContact CH2-CD1 4.04Å; W67-I106 HydrophobicContact CZ3-CD1 4.07Å; T104-I106 HydrophobicContact CG2-CG1 3.91Å; I106-A121 CarbonylContact O-C 3.51Å; I106-A121 WeakPolarHBondContact O-CA 3.27Å; I106-A121 WeakPolarHBondContact O-CB 3.34Å; I106-L122 HydrophobicContact CB-CB 4.4Å; I106-L122 PolarHBondContact N-O 3.06Å; I106-L122 PolarHBondContact O-N 2.63Å; I106-W259 HydrophobicContact CG2-CH2 4.47Å; I106-W259 HydrophobicContact CG2-CZ2 4.02Å; I106-K263 HydrophobicContact CD1-CB 4.1Å; I106-K263 HydrophobicContact CG2-CD 4.11Å; I106-K263 HydrophobicContact CG2-CG 4.09Å; I106-N267 HydrophobicContact CD1-CB 4.44Å; I106-N267 WeakPolarHBondContact CD1-ND2 3.34Å
107	V	98.8	Very high	97.4	Very high	50 Å²	50	61 Å²	61	30%	0.303	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	138.4	171	176.9	0	0	0	0	108.5	A72 I75 E109 W111 A121	A72-V107 HydrophobicContact CB-CG1 3.74Å; I75-V107 HydrophobicContact CB-CG2 3.85Å; I75-V107 HydrophobicContact CG1-CG2 4.13Å; I75-V107 HydrophobicContact CG2-CG2 3.88Å; V107-E109 PolarHBondContact O-N 2.86Å; V107-W111 HydrophobicContact CG1-CB 3.81Å; V107-W111 HydrophobicContact CG1-CG 4.03Å; V107-A121 HydrophobicContact CG2-CB 4.22Å
108	H	98.8	Very high	97.7	Very high	16 Å²	16	61.5 Å²	61.5	7%	0.074	32%	0.324	C	S	.	.			trans	-53.7	132.2	177.2	-167.3	-74.1	0	0	0	111.5	N110 W111 N118 I120 F256 W259	H108-N110 PolarHBondContact ND1-N 2.77Å; H108-N110 VanDerWaalsContact ND1-N 3.17Å; H108-N110 PolarHBondContact O-N 2.74Å; H108-N110 VanDerWaalsContact O-N 3.17Å; H108-W111 WeakPolarHBondContact O-CB 3.38Å; H108-W111 PolarHBondContact O-N 2.86Å; H108-N118 HydrophobicContact CB-CB 4.34Å; H108-I120 HydrophobicContact CB-CG2 3.59Å; H108-I120 WeakPolarHBondContact CB-O 3.47Å; H108-I120 PolarHBondContact N-O 2.96Å; H108-I120 VanDerWaalsContact N-O 3.09Å; H108-F256 AromaticContact CD2-CD1 3.71Å; H108-F256 AromaticContact CD2-CE1 3.81Å; H108-F256 AromaticContact NE2-CD1 3.7Å; H108-F256 AromaticContact NE2-CE1 3.65Å; H108-W259 VanDerWaalsContact CA-CZ2 3.48Å; H108-W259 HydrophobicContact CB-CH2 4.37Å; H108-W259 HydrophobicContact CB-CZ2 3.92Å; H108-W259 AromaticContact CD2-CD1 3.59Å; H108-W259 AromaticContact CD2-CD2 3.53Å; H108-W259 AromaticContact CD2-CE2 3.48Å; H108-W259 VanDerWaalsContact CD2-CE2 3.48Å; H108-W259 AromaticContact CD2-CG 3.64Å; H108-W259 AromaticContact CD2-NE1 3.46Å; H108-W259 PolarHBondContact CD2-NE1 2.77Å; H108-W259 AromaticContact CG-CE2 3.99Å; H108-W259 AromaticContact CG-NE1 3.95Å; H108-W259 AromaticContact NE2-CD1 3.62Å; H108-W259 AromaticContact NE2-CG 3.84Å; H108-W259 AromaticContact NE2-NE1 3.88Å
109	E	98.4	Very high	97.8	Very high	110 Å²	110	58.9 Å²	58.9	51%	0.514	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-31.7	-170.7	-66.5	76.9	-174.3	0	0	112.6	V107 W259 K263	V107-E109 PolarHBondContact O-N 2.86Å; E109-W259 PolarHBondContact OE2-NE1 3.39Å; E109-K263 WeakPolarHBondContact OE1-CE 3.33Å; E109-K263 IonicContact OE1-NZ 2.74Å; E109-K263 PolarHBondContact OE1-NZ 3.45Å; E109-K263 IonicContact OE2-NZ 3.85Å
110	N	98.4	Very high	97.9	Very high	113 Å²	113	55.8 Å²	55.8	60%	0.604	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	17.4	176.7	-59.2	-34.4	0	0	0	113.4	H108 N112 N118	H108-N110 PolarHBondContact ND1-N 2.77Å; H108-N110 VanDerWaalsContact ND1-N 3.17Å; H108-N110 PolarHBondContact O-N 2.74Å; H108-N110 VanDerWaalsContact O-N 3.17Å; N110-N112 PolarHBondContact O-N 3.04Å; N110-N118 WeakPolarHBondContact CB-ND2 3.49Å; N110-N118 PolarHBondContact O-ND2 3.41Å
111	W	98.6	Very high	98	Very high	60 Å²	60	54.5 Å²	54.5	23%	0.227	29%	0.29	C	S	.	.			trans	-56.7	123.1	172.3	166.1	-126.5	0	0	0	109.8	A72 H73 V107 H108 I116 R117 D119	A72-W111 HydrophobicContact CB-CB 4.08Å; A72-W111 HydrophobicContact CB-CD2 3.47Å; A72-W111 VanDerWaalsContact CB-CD2 3.47Å; A72-W111 HydrophobicContact CB-CE3 3.85Å; A72-W111 HydrophobicContact CB-CG 3.54Å; H73-W111 HydrophobicContact CB-CH2 3.97Å; H73-W111 HydrophobicContact CB-CZ2 3.62Å; V107-W111 HydrophobicContact CG1-CB 3.81Å; V107-W111 HydrophobicContact CG1-CG 4.03Å; H108-W111 WeakPolarHBondContact O-CB 3.38Å; H108-W111 PolarHBondContact O-N 2.86Å; W111-I116 HydrophobicContact CH2-CB 4.4Å; W111-I116 HydrophobicContact CH2-CG2 3.98Å; W111-I116 HydrophobicContact CZ3-CG2 4.07Å; W111-R117 WeakPolarHBondContact CA-O 3.49Å; W111-D119 HydrophobicContact CE3-CB 3.93Å; W111-D119 HydrophobicContact CH2-CB 4.1Å; W111-D119 HydrophobicContact CZ3-CB 3.39Å
112	N	98.1	Very high	98	Very high	61 Å²	61	53.7 Å²	53.7	33%	0.326	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-122.9	109.1	177.3	-173.8	-58.5	0	0	0	109.4	N110 F114 F115 I116 R117	N110-N112 PolarHBondContact O-N 3.04Å; N112-F114 WeakPolarHBondContact OD1-CB 3.3Å; N112-F114 PolarHBondContact OD1-N 3.24Å; N112-F115 WeakPolarHBondContact OD1-CD2 3.44Å; N112-F115 PolarHBondContact OD1-N 2.62Å; N112-I116 CarbonylContact O-C 3.6Å; N112-I116 WeakPolarHBondContact O-CA 3.19Å; N112-I116 PolarHBondContact O-N 2.64Å; N112-R117 HydrophobicContact CB-CB 4.19Å; N112-R117 PolarHBondContact N-O 2.86Å; N112-R117 PolarHBondContact O-N 2.95Å
113	S	96.7	Very high	98.1	Very high	89 Å²	89	51.9 Å²	51.9	62%	0.622	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-27.1	-178.1	57	0	0	0	0	114
114	F	95.6	Very high	98.1	Very high	167 Å²	167	50.9 Å²	50.9	73%	0.732	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-42.9	-179.9	-176.9	-95.6	0	0	0	111.5	N112	N112-F114 WeakPolarHBondContact OD1-CB 3.3Å; N112-F114 PolarHBondContact OD1-N 3.24Å
115	F	95.7	Very high	98.2	Very high	105 Å²	105	48 Å²	48	46%	0.461	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-5.5	178.2	-62.7	-65.9	0	0	0	113.3	N112 R117	N112-F115 WeakPolarHBondContact OD1-CD2 3.44Å; N112-F115 PolarHBondContact OD1-N 2.62Å; F115-R117 HydrophobicContact CB-CG 3.66Å; F115-R117 PolarHBondContact O-NH1 3.2Å
116	I	97.4	Very high	98.2	Very high	43 Å²	43	51.4 Å²	51.4	22%	0.221	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	61.3	-173.4	-46.3	174.6	0	0	0	109.9	W111 N112 D119 M198 S234 F235	W111-I116 HydrophobicContact CH2-CB 4.4Å; W111-I116 HydrophobicContact CH2-CG2 3.98Å; W111-I116 HydrophobicContact CZ3-CG2 4.07Å; N112-I116 CarbonylContact O-C 3.6Å; N112-I116 WeakPolarHBondContact O-CA 3.19Å; N112-I116 PolarHBondContact O-N 2.64Å; I116-D119 HydrophobicContact CG2-CB 4.36Å; I116-M198 WeakPolarHBondContact O-CE 3.07Å; I116-S234 VanDerWaalsContact CG2-OG 3.3Å; I116-S234 WeakPolarHBondContact CG2-OG 3.32Å; I116-F235 HydrophobicContact CB-CD1 4.28Å; I116-F235 HydrophobicContact CD1-CB 4.07Å; I116-F235 HydrophobicContact CD1-CD1 4.18Å; I116-F235 HydrophobicContact CD1-CG 4.1Å; I116-F235 HydrophobicContact CG2-CD1 3.66Å; I116-F235 HydrophobicContact CG2-CE1 4.23Å; I116-F235 HydrophobicContact CG2-CG 4.49Å
117	R	98.2	Very high	98.1	Very high	51 Å²	51	52.3 Å²	52.3	19%	0.192	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-116.6	139.1	-179.3	-59.5	-68	-177.2	-110.4	12.6	110.5	W111 N112 F115 S192 Q193 T195	W111-R117 WeakPolarHBondContact CA-O 3.49Å; N112-R117 HydrophobicContact CB-CB 4.19Å; N112-R117 PolarHBondContact N-O 2.86Å; N112-R117 PolarHBondContact O-N 2.95Å; F115-R117 HydrophobicContact CB-CG 3.66Å; F115-R117 PolarHBondContact O-NH1 3.2Å; R117-S192 PolarHBondContact NH2-O 3.36Å; R117-Q193 VanDerWaalsContact CZ-O 3.3Å; R117-Q193 PolarHBondContact NH1-O 3.49Å; R117-Q193 PolarHBondContact NH2-O 2.95Å; R117-T195 VanDerWaalsContact CZ-CG2 3.44Å
118	N	98.6	Very high	98	Very high	37 Å²	37	53.7 Å²	53.7	20%	0.198	27%	0.273	C	S	.	.	S	Bend	trans	58	48.2	-177.3	-46.1	-59.9	0	0	0	111.6	H108 N110 I120 F256	H108-N118 HydrophobicContact CB-CB 4.34Å; N110-N118 WeakPolarHBondContact CB-ND2 3.49Å; N110-N118 PolarHBondContact O-ND2 3.41Å; N118-I120 PolarHBondContact O-N 2.57Å; N118-F256 HydrophobicContact CB-CE1 3.99Å; N118-F256 HydrophobicContact CB-CZ 4.22Å; N118-F256 WeakPolarHBondContact OD1-CE1 3.29Å; N118-F256 WeakPolarHBondContact OD1-CZ 3.46Å
119	D	98.8	Very high	97.8	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.273	C	S	.	.			trans	-78.7	70.2	-176.5	-164.8	8.8	0	0	0	111.2	A72 H73 W111 I116 S234 T251	A72-D119 WeakPolarHBondContact CA-OD1 3.29Å; A72-D119 WeakPolarHBondContact CB-OD1 3.38Å; A72-D119 PolarHBondContact N-OD1 3.08Å; H73-D119 IonicContact CE1-OD2 3.24Å; H73-D119 IonicContact CG-OD1 2.71Å; H73-D119 IonicContact CG-OD2 3.56Å; H73-D119 PolarHBondContact N-OD1 3.4Å; H73-D119 IonicContact ND1-OD1 3.53Å; H73-D119 PolarHBondContact ND1-OD1 3.13Å; H73-D119 IonicContact ND1-OD2 3.83Å; H73-D119 PolarHBondContact ND1-OD2 3.38Å; W111-D119 HydrophobicContact CE3-CB 3.93Å; W111-D119 HydrophobicContact CH2-CB 4.1Å; W111-D119 HydrophobicContact CZ3-CB 3.39Å; I116-D119 HydrophobicContact CG2-CB 4.36Å; D119-S234 WeakPolarHBondContact CB-OG 3.3Å; D119-S234 WeakPolarHBondContact OD2-CB 3.29Å; D119-S234 PolarHBondContact OD2-OG 2.85Å; D119-T251 WeakPolarHBondContact CB-OG1 3.16Å; D119-T251 PolarHBondContact O-OG1 2.9Å
120	I	98.9	Very high	97.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.288	C	S	.	.			trans	-144.8	139.2	-174.1	-171.3	172.3	0	0	0	110.7	L69 H108 N118 I232 T251 F256 W259 I260	L69-I120 HydrophobicContact CD1-CD1 3.94Å; L69-I120 HydrophobicContact CD1-CG1 3.84Å; H108-I120 HydrophobicContact CB-CG2 3.59Å; H108-I120 WeakPolarHBondContact CB-O 3.47Å; H108-I120 PolarHBondContact N-O 2.96Å; H108-I120 VanDerWaalsContact N-O 3.09Å; N118-I120 PolarHBondContact O-N 2.57Å; I120-I232 HydrophobicContact CB-CD1 4.17Å; I120-I232 HydrophobicContact CD1-CD1 3.86Å; I120-I232 HydrophobicContact CG1-CD1 3.57Å; I120-T251 HydrophobicContact CB-CG2 4.13Å; I120-F256 HydrophobicContact CD1-CB 3.61Å; I120-F256 HydrophobicContact CD1-CD1 4.37Å; I120-F256 HydrophobicContact CD1-CD2 4.33Å; I120-F256 HydrophobicContact CD1-CG 3.87Å; I120-F256 HydrophobicContact CG2-CD1 3.87Å; I120-F256 HydrophobicContact CG2-CE1 4.04Å; I120-F256 HydrophobicContact CG2-CG 4.3Å; I120-W259 HydrophobicContact CD1-CE3 4.23Å; I120-W259 HydrophobicContact CD1-CZ3 4.11Å; I120-W259 HydrophobicContact CG1-CZ3 3.97Å; I120-W259 HydrophobicContact CG2-CE3 4.42Å; I120-W259 HydrophobicContact CG2-CZ3 4.2Å; I120-I260 HydrophobicContact CD1-CD1 4.16Å; I120-I260 HydrophobicContact CD1-CG1 4.25Å
121	A	98.9	Very high	97.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	150.3	173.4	0	0	0	0	0	110.8	T70 I75 I106 V107	T70-A121 HydrophobicContact CG2-CB 4.12Å; T70-A121 PolarHBondContact N-O 3.43Å; T70-A121 PolarHBondContact O-N 3.34Å; I75-A121 HydrophobicContact CG1-CB 4.04Å; I106-A121 CarbonylContact O-C 3.51Å; I106-A121 WeakPolarHBondContact O-CA 3.27Å; I106-A121 WeakPolarHBondContact O-CB 3.34Å; V107-A121 HydrophobicContact CG2-CB 4.22Å
122	L	98.9	Very high	97.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	139.8	169.9	-75.8	170.5	0	0	0	110	I63 W67 V68 L69 I105 I106 W259 I260 K263 I264	I63-L122 HydrophobicContact CD1-CD2 3.76Å; W67-L122 HydrophobicContact CE3-CB 4.08Å; W67-L122 HydrophobicContact CE3-CD2 4.45Å; W67-L122 HydrophobicContact CZ3-CB 3.99Å; W67-L122 HydrophobicContact CZ3-CD1 4.45Å; V68-L122 CarbonylContact O-C 3.56Å; V68-L122 WeakPolarHBondContact O-CA 3.48Å; L69-L122 HydrophobicContact CD1-CD2 3.77Å; L69-L122 HydrophobicContact CD1-CG 4.44Å; I105-L122 CarbonylContact C-O 3.57Å; I105-L122 WeakPolarHBondContact CA-O 3.47Å; I106-L122 HydrophobicContact CB-CB 4.4Å; I106-L122 PolarHBondContact N-O 3.06Å; I106-L122 PolarHBondContact O-N 2.63Å; L122-W259 HydrophobicContact CD1-CH2 4.25Å; L122-W259 HydrophobicContact CD1-CZ3 3.91Å; L122-W259 HydrophobicContact CG-CH2 4.15Å; L122-W259 HydrophobicContact CG-CZ3 3.85Å; L122-I260 HydrophobicContact CD1-CG2 4.4Å; L122-I260 HydrophobicContact CD2-CG2 4.41Å; L122-K263 HydrophobicContact CD1-CB 3.65Å; L122-K263 HydrophobicContact CD1-CG 4.38Å; L122-I264 HydrophobicContact CD1-CG1 4.28Å
123	I	98.8	Very high	97.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.7	172.8	-60.6	174.3	0	0	0	107.4	L46 V68 T70 I75 V83 T102 I105	L46-I123 HydrophobicContact CD1-CD1 3.63Å; L46-I123 HydrophobicContact CD2-CD1 4.13Å; V68-I123 HydrophobicContact CB-CB 4.13Å; V68-I123 HydrophobicContact CG1-CB 4.5Å; V68-I123 HydrophobicContact CG1-CD1 4.48Å; V68-I123 PolarHBondContact N-O 2.93Å; V68-I123 PolarHBondContact O-N 3.11Å; T70-I123 HydrophobicContact CG2-CD1 3.8Å; T70-I123 HydrophobicContact CG2-CG1 4.18Å; I75-I123 HydrophobicContact CD1-CD1 4.36Å; V83-I123 HydrophobicContact CG2-CG2 4.23Å; T102-I123 HydrophobicContact CG2-CG2 3.38Å; I105-I123 HydrophobicContact CG1-CG1 4.18Å; I105-I123 HydrophobicContact CG1-CG2 4.39Å; I105-I123 HydrophobicContact CG2-CG1 4.1Å
124	K	98.7	Very high	97.2	Very high	37 Å²	37	50.4 Å²	50.4	16%	0.161	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	120.6	167.7	-165.6	174.3	-176.7	163.9	0	108.8	Q66 W67 A103 T104 N267	Q66-K124 HydrophobicContact CG-CG 4.31Å; Q66-K124 WeakPolarHBondContact O-CA 3.34Å; W67-K124 HydrophobicContact CD2-CB 4.44Å; W67-K124 HydrophobicContact CD2-CG 4.4Å; W67-K124 HydrophobicContact CE3-CB 4.02Å; W67-K124 HydrophobicContact CE3-CG 4.46Å; W67-K124 HydrophobicContact CH2-CB 3.78Å; W67-K124 HydrophobicContact CH2-CD 3.89Å; W67-K124 HydrophobicContact CH2-CG 4.02Å; W67-K124 HydrophobicContact CZ2-CB 4.2Å; W67-K124 HydrophobicContact CZ2-CD 3.69Å; W67-K124 HydrophobicContact CZ2-CG 3.91Å; W67-K124 HydrophobicContact CZ3-CB 3.67Å; W67-K124 HydrophobicContact CZ3-CG 4.28Å; A103-K124 PolarHBondContact N-O 2.86Å; T104-K124 PolarHBondContact N-O 2.85Å; T104-K124 PolarHBondContact O-N 3.29Å; K124-N267 PolarHBondContact NZ-O 3.21Å; K124-N267 PolarHBondContact NZ-OXT 3.31Å
125	L	98.6	Very high	97.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	150	176.2	-57.3	177.7	0	0	0	110.4	L62 Q66 V68 V83 L85 L100 A127 L129	L62-L125 HydrophobicContact CD1-CD1 4.18Å; Q66-L125 HydrophobicContact CG-CB 4.03Å; Q66-L125 WeakPolarHBondContact CG-O 3.37Å; Q66-L125 PolarHBondContact NE2-O 3.24Å; Q66-L125 PolarHBondContact O-N 2.99Å; V68-L125 HydrophobicContact CG2-CD1 4.49Å; V68-L125 HydrophobicContact CG2-CD2 4.16Å; V68-L125 HydrophobicContact CG2-CG 4.47Å; V83-L125 HydrophobicContact CB-CD2 3.87Å; V83-L125 HydrophobicContact CG1-CD2 4.26Å; V83-L125 HydrophobicContact CG2-CD2 3.66Å; L85-L125 HydrophobicContact CD1-CD1 4.49Å; L100-L125 HydrophobicContact CB-CD2 4.41Å; L100-L125 HydrophobicContact CD1-CD1 3.97Å; L125-A127 PolarHBondContact O-N 3.3Å; L125-L129 HydrophobicContact CD1-CD2 3.87Å
126	E	97.8	Very high	97.3	Very high	119 Å²	119	37.5 Å²	37.5	56%	0.556	20%	0.196	S	C	*	.	S	Bend	trans	-62.1	-26.4	-178.8	70.8	-171.5	160.7	0	0	114.1	G101	G101-E126 PolarHBondContact N-OE1 2.98Å; G101-E126 PolarHBondContact O-N 2.96Å
127	A	97	Very high	97.3	Very high	40 Å²	40	35.9 Å²	35.9	33%	0.331	19%	0.188	S	C	.	.	S	Bend	trans	-144	151.1	174.1	0	0	0	0	0	109.5	L125	L125-A127 PolarHBondContact O-N 3.3Å
128	P	96.9	Very high	97.3	Very high	79 Å²	79	33.5 Å²	33.5	51%	0.513	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-64.3	144.6	167.9	29.4	-34.2	0	0	0	109.9	N65 Q66	N65-P128 CarbonylContact O-C 3.56Å; N65-P128 VanDerWaalsContact O-CA 3.3Å; N65-P128 WeakPolarHBondContact O-CA 3.24Å; Q66-P128 HydrophobicContact CB-CB 4.38Å; Q66-P128 HydrophobicContact CG-CB 4.49Å
129	L	95.1	Very high	97.3	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.063	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-101.1	153.5	174.6	65.8	85.7	0	0	0	111.6	L62 N65 L85 L98 L100 L125 F131 V135	L62-L129 HydrophobicContact CD1-CD2 4.04Å; L62-L129 HydrophobicContact CD2-CD1 4.29Å; L62-L129 HydrophobicContact CD2-CD2 4.1Å; N65-L129 WeakPolarHBondContact CB-O 3.49Å; N65-L129 WeakPolarHBondContact O-CG 3.45Å; N65-L129 PolarHBondContact O-N 2.97Å; L85-L129 HydrophobicContact CD1-CD2 3.84Å; L85-L129 HydrophobicContact CD2-CD2 4.1Å; L98-L129 HydrophobicContact CD1-CB 4.43Å; L100-L129 HydrophobicContact CD1-CB 4.21Å; L100-L129 HydrophobicContact CD1-CD2 4.24Å; L125-L129 HydrophobicContact CD1-CD2 3.87Å; L129-F131 HydrophobicContact CD1-CD1 3.48Å; L129-F131 VanDerWaalsContact CD1-CD1 3.48Å; L129-F131 HydrophobicContact CD1-CE1 3.77Å; L129-V135 HydrophobicContact CD1-CG1 3.82Å; L129-V135 HydrophobicContact CD2-CG1 4.09Å
130	E	94.7	Very high	97.2	Very high	180 Å²	180	34.7 Å²	34.7	84%	0.841	19%	0.186	S	C	*	.	P	Polyproline II helix	trans	-84.6	134	166.8	-65.7	-61.6	148.3	0	0	109.1
131	F	96.1	Very high	97.1	Very high	58 Å²	58	35 Å²	35	25%	0.254	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-71.8	148.8	177.3	-60.8	-39.1	0	0	0	111.6	Y15 L62 N65 L129 V135 H136 P137	Y15-F131 HydrophobicContact CD2-CB 3.64Å; Y15-F131 HydrophobicContact CE2-CB 4.28Å; Y15-F131 HydrophobicContact CG-CB 3.82Å; L62-F131 HydrophobicContact CD2-CE1 4.34Å; N65-F131 HydrophobicContact CB-CE1 3.8Å; N65-F131 HydrophobicContact CB-CE2 4.45Å; N65-F131 HydrophobicContact CB-CZ 3.65Å; L129-F131 HydrophobicContact CD1-CD1 3.48Å; L129-F131 VanDerWaalsContact CD1-CD1 3.48Å; L129-F131 HydrophobicContact CD1-CE1 3.77Å; F131-V135 CarbonylContact C-O 3.53Å; F131-V135 VanDerWaalsContact CA-O 3.29Å; F131-V135 WeakPolarHBondContact CA-O 3.39Å; F131-H136 HydrophobicContact CB-CB 4.19Å; F131-H136 HydrophobicContact CD1-CB 4.22Å; F131-H136 HydrophobicContact CG-CB 4.2Å; F131-P137 HydrophobicContact CE1-CG 4.12Å; F131-P137 HydrophobicContact CE2-CG 4.23Å; F131-P137 HydrophobicContact CZ-CG 3.73Å
132	S	95.4	Very high	97	Very high	38 Å²	38	38 Å²	38	27%	0.266	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-141.9	174.7	178.2	75	0	0	0	0	110.4	T134 V135	S132-T134 PolarHBondContact O-N 2.86Å; S132-T134 PolarHBondContact OG-N 2.94Å; S132-T134 PolarHBondContact OG-OG1 3.37Å; S132-V135 PolarHBondContact N-O 2.85Å; S132-V135 CarbonylContact O-C 3.52Å; S132-V135 PolarHBondContact O-N 2.04Å; S132-V135 PolarHBondContact OG-N 2.99Å
133	D	95.3	Very high	96.9	Very high	72 Å²	72	42.8 Å²	42.8	39%	0.385	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.5	174.5	-69.4	-36.6	0	0	0	114.2	Y15 T21 F22	Y15-D133 PolarHBondContact OH-N 3.12Å; Y15-D133 PolarHBondContact OH-OD1 2.83Å; T21-D133 HydrophobicContact CG2-CB 4.04Å; T21-D133 WeakPolarHBondContact CG2-OD1 3.06Å; T21-D133 PolarHBondContact OG1-OD1 2.79Å; F22-D133 HydrophobicContact CE2-CB 4Å; F22-D133 HydrophobicContact CZ-CB 4.47Å
134	T	96.1	Very high	96.7	Very high	19 Å²	19	44.8 Å²	44.8	12%	0.117	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-7.9	-178.1	62.3	0	0	0	0	113.4	F22 H38 P41 G86 S132	F22-T134 HydrophobicContact CE2-CG2 4.14Å; H38-T134 HydrophobicContact CB-CG2 3.77Å; H38-T134 VanDerWaalsContact CG-CG2 3.44Å; P41-T134 WeakPolarHBondContact CB-O 3.47Å; G86-T134 WeakPolarHBondContact CA-O 2.94Å; S132-T134 PolarHBondContact O-N 2.86Å; S132-T134 PolarHBondContact OG-N 2.94Å; S132-T134 PolarHBondContact OG-OG1 3.37Å
135	V	96.9	Very high	96.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-143.4	102.8	-177.1	-175.4	0	0	0	0	110	L62 L85 L98 L129 F131 S132	L62-V135 HydrophobicContact CD2-CG1 3.89Å; L85-V135 HydrophobicContact CB-CG1 4.08Å; L85-V135 HydrophobicContact CB-CG2 4.1Å; L85-V135 HydrophobicContact CD2-CG1 3.83Å; L85-V135 HydrophobicContact CG-CG1 4.5Å; L98-V135 HydrophobicContact CD2-CG1 4.46Å; L98-V135 HydrophobicContact CD2-CG2 3.76Å; L129-V135 HydrophobicContact CD1-CG1 3.82Å; L129-V135 HydrophobicContact CD2-CG1 4.09Å; F131-V135 CarbonylContact C-O 3.53Å; F131-V135 VanDerWaalsContact CA-O 3.29Å; F131-V135 WeakPolarHBondContact CA-O 3.39Å; S132-V135 PolarHBondContact N-O 2.85Å; S132-V135 CarbonylContact O-C 3.52Å; S132-V135 PolarHBondContact O-N 2.04Å; S132-V135 PolarHBondContact OG-N 2.99Å
136	H	95.5	Very high	96.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	30%	0.297	C	S	.	.			trans	-157.5	163.6	171.2	69.1	73.8	0	0	0	109.7	N19 P20 P41 W42 F131	N19-H136 VanDerWaalsContact C-CE1 3.47Å; N19-H136 PolarHBondContact O-CE1 3.27Å; N19-H136 VanDerWaalsContact O-CE1 3.27Å; N19-H136 PolarHBondContact O-NE2 2.99Å; P20-H136 VanDerWaalsContact CA-NE2 3.33Å; P20-H136 WeakPolarHBondContact CA-NE2 3.31Å; P41-H136 CarbonylContact C-O 3.59Å; P41-H136 WeakPolarHBondContact CG-CE1 3.31Å; P41-H136 WeakPolarHBondContact CG-NE2 3.47Å; W42-H136 WeakPolarHBondContact CA-O 3.45Å; W42-H136 WeakPolarHBondContact CB-O 3.43Å; W42-H136 AromaticContact CZ3-CE1 3.85Å; W42-H136 PolarHBondContact N-O 2.81Å; F131-H136 HydrophobicContact CB-CB 4.19Å; F131-H136 HydrophobicContact CD1-CB 4.22Å; F131-H136 HydrophobicContact CG-CB 4.2Å
137	P	98	Very high	96.5	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.058	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-81.6	158.3	-165.2	32.4	-31.7	0	0	0	112.3	C17 G18 L62 F131	C17-P137 CarbonylContact C-O 3.57Å; C17-P137 WeakPolarHBondContact CA-O 3.4Å; C17-P137 HydrophobicContact CB-CG 4.31Å; G18-P137 PolarHBondContact N-O 2.85Å; L62-P137 HydrophobicContact CG-CB 4.46Å; L62-P137 CarbonylContact O-C 3.45Å; L62-P137 WeakPolarHBondContact O-CA 3.47Å; L62-P137 WeakPolarHBondContact O-CB 3.38Å; F131-P137 HydrophobicContact CE1-CG 4.12Å; F131-P137 HydrophobicContact CE2-CG 4.23Å; F131-P137 HydrophobicContact CZ-CG 3.73Å
138	A	98.2	Very high	96.5	Very high	2 Å²	2	50 Å²	50	2%	0.017	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-80	157.7	164.7	0	0	0	0	0	110.8	W42 T61 L62 V229	W42-A138 HydrophobicContact CB-CB 3.96Å; W42-A138 HydrophobicContact CD2-CB 3.62Å; W42-A138 HydrophobicContact CE3-CB 4.17Å; W42-A138 HydrophobicContact CG-CB 3.54Å; T61-A138 HydrophobicContact CG2-CB 3.7Å; L62-A138 PolarHBondContact O-N 3.4Å; A138-V229 HydrophobicContact CB-CB 4.47Å; A138-V229 HydrophobicContact CB-CG2 3.54Å
139	C	98.3	Very high	96.6	Very high	13 Å²	13	50 Å²	50	9%	0.088	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-76.9	149.6	167.1	-61	0	0	0	0	110.3	C17 W227 E228 V229	C17-C139 HydrophobicContact CB-CB 3.98Å; C17-C139 WeakPolarHBondContact CB-SG 3.42Å; C17-C139 PolarHBondContact O-SG 3.47Å; C17-C139 WeakPolarHBondContact SG-CA 3.33Å; C17-C139 WeakPolarHBondContact SG-CB 3.46Å; C17-C139 CovalentContact SG-SG 2.05Å; C17-C139 PolarHBondContact SG-SG 3.42Å; C139-W227 WeakPolarHBondContact CB-O 3.44Å; C139-W227 PolarHBondContact N-O 2.86Å; C139-W227 VanDerWaalsContact N-O 3.17Å; C139-E228 HydrophobicContact CB-CG 3.83Å; C139-E228 CarbonylContact O-C 3.58Å; C139-E228 VanDerWaalsContact O-CA 3.27Å; C139-E228 WeakPolarHBondContact O-CA 3.41Å; C139-V229 PolarHBondContact O-N 2.59Å
140	L	97.9	Very high	96.7	Very high	50 Å²	50	54.2 Å²	54.2	26%	0.262	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-92.9	145.3	167	-64.6	-179.5	0	0	0	108.7	I63 L69 V253 L257 I260	I63-L140 HydrophobicContact CB-CD2 4.43Å; I63-L140 HydrophobicContact CG2-CD2 3.85Å; L69-L140 HydrophobicContact CD2-CD2 4.49Å; L140-V253 HydrophobicContact CD2-CG1 3.89Å; L140-L257 HydrophobicContact CB-CD2 4.02Å; L140-L257 HydrophobicContact CD1-CD2 3.99Å; L140-L257 HydrophobicContact CG-CD2 4.5Å; L140-I260 HydrophobicContact CD1-CG2 4.29Å
141	P	97.1	Very high	96.8	Very high	6 Å²	6	46.3 Å²	46.3	4%	0.039	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-67	170.6	177.3	31	-38	0	0	0	111.3	V229 H230 V253 L257	P141-V229 VanDerWaalsContact CD-O 3.23Å; P141-V229 WeakPolarHBondContact CD-O 3.4Å; P141-H230 VanDerWaalsContact CB-CE1 3.48Å; P141-H230 WeakPolarHBondContact CB-CE1 3.44Å; P141-V253 HydrophobicContact CG-CB 4.31Å; P141-V253 HydrophobicContact CG-CG1 4.19Å; P141-L257 WeakPolarHBondContact O-CD1 3.48Å
142	A	95.9	Very high	96.8	Very high	64 Å²	64	47.7 Å²	47.7	53%	0.529	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-66.6	151	168.4	0	0	0	0	0	111.8	G144 F145 S254	A142-G144 PolarHBondContact O-N 2.94Å; A142-F145 HydrophobicContact CB-CB 4.26Å; A142-F145 WeakPolarHBondContact O-CB 3.46Å; A142-F145 PolarHBondContact O-N 2.76Å; A142-F145 VanDerWaalsContact O-N 3.09Å; A142-S254 VanDerWaalsContact O-CB 3.27Å; A142-S254 WeakPolarHBondContact O-CB 3.2Å
143	D	96	Very high	96.8	Very high	100 Å²	100	45.9 Å²	45.9	54%	0.535	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	132.7	179.8	-173	58.3	0	0	0	111.5	F145 L257	D143-F145 PolarHBondContact O-N 2.75Å; D143-F145 VanDerWaalsContact O-N 3.08Å; D143-L257 VanDerWaalsContact CA-CD1 3.45Å; D143-L257 HydrophobicContact CB-CD1 3.92Å; D143-L257 VanDerWaalsContact N-CD1 3.32Å
144	G	94.8	Very high	96.9	Very high	41 Å²	41	43.1 Å²	43.1	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	7.7	-177	0	0	0	0	0	115.8	A142 I146 S254	A142-G144 PolarHBondContact O-N 2.94Å; G144-I146 WeakPolarHBondContact O-CD1 3.04Å; G144-I146 PolarHBondContact O-N 3.47Å; G144-S254 PolarHBondContact N-O 3.24Å
145	F	96.7	Very high	96.9	Very high	91 Å²	91	42.5 Å²	42.5	40%	0.399	25%	0.25	S	S	.	.			trans	-62	128.9	178.7	-175.9	-89.9	0	0	0	111.5	A142 D143 L147 H230 Q252 S254	A142-F145 HydrophobicContact CB-CB 4.26Å; A142-F145 WeakPolarHBondContact O-CB 3.46Å; A142-F145 PolarHBondContact O-N 2.76Å; A142-F145 VanDerWaalsContact O-N 3.09Å; D143-F145 PolarHBondContact O-N 2.75Å; D143-F145 VanDerWaalsContact O-N 3.08Å; F145-L147 HydrophobicContact CE1-CD2 4.01Å; F145-L147 HydrophobicContact CE1-CG 4.27Å; F145-H230 AromaticContact CD1-CE1 3.35Å; F145-H230 WeakPolarHBondContact CD1-CE1 3.34Å; F145-H230 AromaticContact CD1-ND1 3.72Å; F145-H230 AromaticContact CE1-CE1 3.53Å; F145-Q252 PolarHBondContact O-NE2 2.8Å; F145-S254 WeakPolarHBondContact O-CB 3.1Å; F145-S254 PolarHBondContact O-OG 2.97Å
146	I	97.5	Very high	96.9	Very high	109 Å²	109	42.6 Å²	42.6	56%	0.559	25%	0.251	S	S	*	.			trans	-109.1	122.9	178.4	-50.2	-53.5	0	0	0	109	G144	G144-I146 WeakPolarHBondContact O-CD1 3.04Å; G144-I146 PolarHBondContact O-N 3.47Å
147	L	97.7	Very high	97	Very high	21 Å²	21	42.6 Å²	42.6	11%	0.11	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-65.3	136.3	173.5	-75.6	162.1	0	0	0	111.1	F145 A151 V178 V199 C220 H230	F145-L147 HydrophobicContact CE1-CD2 4.01Å; F145-L147 HydrophobicContact CE1-CG 4.27Å; L147-A151 HydrophobicContact CD2-CB 4.25Å; L147-V178 HydrophobicContact CB-CG1 4.01Å; L147-V178 HydrophobicContact CB-CG2 4.04Å; L147-V178 HydrophobicContact CD1-CG2 3.88Å; L147-V178 HydrophobicContact CG-CG2 4.49Å; L147-V199 HydrophobicContact CD1-CG2 4.36Å; L147-C220 VanDerWaalsContact CD1-SG 3.52Å; L147-C220 HydrophobicContact CD2-CB 4.08Å; L147-H230 HydrophobicContact CD1-CB 3.43Å; L147-H230 VanDerWaalsContact CD1-CB 3.43Å; L147-H230 HydrophobicContact CG-CB 4.25Å; L147-H230 WeakPolarHBondContact CG-ND1 3.47Å
148	P	97.5	Very high	96.9	Very high	84 Å²	84	42.2 Å²	42.2	55%	0.545	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-69.3	152.5	174.8	26.5	-29.4	0	0	0	111.2	N150 A151	P148-N150 PolarHBondContact O-N 2.92Å; P148-A151 HydrophobicContact CG-CB 4.05Å; P148-A151 WeakPolarHBondContact O-CB 3.46Å; P148-A151 PolarHBondContact O-N 2.95Å; P148-A151 VanDerWaalsContact O-N 3.08Å
149	H	97.8	Very high	96.4	Very high	79 Å²	79	42.3 Å²	42.3	37%	0.366	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	140.4	172.1	-173.3	40.2	0	0	0	110.9	A151 V178 D180	H149-A151 PolarHBondContact O-N 3.5Å; H149-V178 PolarHBondContact ND1-O 2.88Å; H149-D180 HydrophobicContact CB-CB 3.98Å; H149-D180 WeakPolarHBondContact CB-OD2 3.32Å; H149-D180 IonicContact CG-OD2 3.79Å; H149-D180 PolarHBondContact ND1-N 2.9Å
150	N	97	Very high	95.8	Very high	102 Å²	102	46.1 Å²	46.1	55%	0.545	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	12	-174.6	-57.8	-52	0	0	0	115.3	P148 V178	P148-N150 PolarHBondContact O-N 2.92Å; N150-V178 PolarHBondContact N-O 2.91Å
151	A	97	Very high	95	Very high	14 Å²	14	48.4 Å²	48.4	12%	0.116	27%	0.274	C	S	.	.			trans	-55.2	130.3	168.8	0	0	0	0	0	109.8	L147 P148 H149 C153 P177 V178	L147-A151 HydrophobicContact CD2-CB 4.25Å; P148-A151 HydrophobicContact CG-CB 4.05Å; P148-A151 WeakPolarHBondContact O-CB 3.46Å; P148-A151 PolarHBondContact O-N 2.95Å; P148-A151 VanDerWaalsContact O-N 3.08Å; H149-A151 PolarHBondContact O-N 3.5Å; A151-C153 PolarHBondContact O-N 3.07Å; A151-P177 WeakPolarHBondContact O-CA 3.42Å; A151-V178 HydrophobicContact CB-CB 4.11Å; A151-V178 HydrophobicContact CB-CG2 3.88Å; A151-V178 PolarHBondContact O-N 2.68Å
152	P	95.5	Very high	94.1	Very high	87 Å²	87	54.9 Å²	54.9	57%	0.565	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	117.8	178.8	30.1	-32.6	0	0	0	109.7	L175	P152-L175 HydrophobicContact CB-CD1 3.77Å
153	C	96.8	Very high	93.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	159.5	175.8	-62	0	0	0	0	110.3	A151 L175 L176 L218 N219 C220	A151-C153 PolarHBondContact O-N 3.07Å; C153-L175 CarbonylContact O-C 3.47Å; C153-L175 WeakPolarHBondContact O-CA 3.16Å; C153-L176 PolarHBondContact N-O 3.13Å; C153-L176 PolarHBondContact O-N 2.82Å; C153-L218 HydrophobicContact CB-CD1 3.58Å; C153-L218 HydrophobicContact CB-CD2 4.43Å; C153-L218 HydrophobicContact CB-CG 3.85Å; C153-N219 CarbonylContact C-O 3.57Å; C153-N219 WeakPolarHBondContact CA-O 3.44Å; C153-N219 WeakPolarHBondContact CB-O 3.5Å; C153-C220 HydrophobicContact CB-CB 4.15Å; C153-C220 WeakPolarHBondContact CB-SG 3.4Å; C153-C220 WeakPolarHBondContact SG-CB 3.45Å; C153-C220 CovalentContact SG-SG 2.04Å; C153-C220 PolarHBondContact SG-SG 3.48Å
154	F	96.7	Very high	92.8	Very high	13 Å²	13	53 Å²	53	6%	0.057	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.8	-176.9	-68	-97.9	0	0	0	110.2	V26 W40 A174 L175 N219 W227	V26-F154 HydrophobicContact CB-CE2 4.22Å; V26-F154 HydrophobicContact CB-CZ 3.73Å; V26-F154 HydrophobicContact CG1-CE1 4.44Å; V26-F154 HydrophobicContact CG1-CE2 3.91Å; V26-F154 HydrophobicContact CG1-CZ 3.76Å; W40-F154 HydrophobicContact CH2-CB 4.14Å; W40-F154 HydrophobicContact CH2-CD2 4.48Å; W40-F154 HydrophobicContact CH2-CG 4.4Å; W40-F154 HydrophobicContact CZ2-CB 4.02Å; W40-F154 HydrophobicContact CZ2-CG 4.21Å; F154-A174 CarbonylContact C-O 3.54Å; F154-A174 VanDerWaalsContact CA-O 3.27Å; F154-A174 WeakPolarHBondContact CA-O 3.4Å; F154-L175 HydrophobicContact CD1-CB 4.25Å; F154-L175 HydrophobicContact CD2-CD1 4.4Å; F154-L175 HydrophobicContact CE1-CB 3.84Å; F154-L175 HydrophobicContact CE1-CD1 4.19Å; F154-L175 HydrophobicContact CE2-CD1 3.88Å; F154-L175 HydrophobicContact CZ-CB 4.23Å; F154-L175 HydrophobicContact CZ-CD1 3.76Å; F154-N219 HydrophobicContact CB-CB 4.46Å; F154-N219 PolarHBondContact N-O 3.35Å; F154-N219 WeakPolarHBondContact O-CB 3.33Å; F154-N219 PolarHBondContact O-N 3.17Å; F154-N219 PolarHBondContact O-ND2 3.3Å; F154-W227 AromaticContact CD2-CH2 3.85Å; F154-W227 HydrophobicContact CD2-CH2 3.85Å; F154-W227 AromaticContact CD2-CZ3 3.89Å; F154-W227 HydrophobicContact CD2-CZ3 3.89Å; F154-W227 AromaticContact CE2-CH2 3.97Å; F154-W227 HydrophobicContact CE2-CH2 3.97Å; F154-W227 HydrophobicContact CE2-CZ3 4.4Å
155	V	96.1	Very high	92.3	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	141.6	162.4	66.8	0	0	0	0	108.6	Q173 A174 L176 V233 F250	V155-Q173 CarbonylContact O-C 3.54Å; V155-Q173 VanDerWaalsContact O-CA 3.29Å; V155-Q173 WeakPolarHBondContact O-CA 3.21Å; V155-A174 HydrophobicContact CG1-CB 3.72Å; V155-A174 PolarHBondContact N-O 2.85Å; V155-A174 PolarHBondContact O-N 3.09Å; V155-L176 HydrophobicContact CB-CD1 3.84Å; V155-L176 HydrophobicContact CB-CG 4.47Å; V155-L176 HydrophobicContact CG1-CD1 3.56Å; V155-L176 HydrophobicContact CG1-CG 3.93Å; V155-V233 HydrophobicContact CG2-CG2 3.76Å; V155-F250 HydrophobicContact CB-CZ 4.4Å; V155-F250 HydrophobicContact CG2-CE1 4.18Å; V155-F250 HydrophobicContact CG2-CZ 4.33Å
156	T	97.3	Very high	91.8	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.9	175.6	53.3	0	0	0	0	110.3	W40 Q43 Q172 Q173 P217 N219	W40-T156 HydrophobicContact CB-CG2 4.49Å; W40-T156 HydrophobicContact CD2-CG2 3.86Å; W40-T156 HydrophobicContact CG-CG2 3.73Å; W40-T156 HydrophobicContact CZ2-CG2 4.45Å; Q43-T156 PolarHBondContact OE1-O 3.33Å; Q43-T156 VanDerWaalsContact OE1-O 3.13Å; Q43-T156 PolarHBondContact OE1-OG1 2.95Å; T156-Q172 VanDerWaalsContact CA-O 3.28Å; T156-Q172 WeakPolarHBondContact CA-O 3.27Å; T156-Q173 HydrophobicContact CG2-CB 3.9Å; T156-P217 WeakPolarHBondContact OG1-CG 3.08Å; T156-N219 PolarHBondContact OG1-ND2 2.75Å
157	G	96.9	Very high	91.3	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.5	176.5	178.4	0	0	0	0	0	114.4	Q172 D213	G157-Q172 PolarHBondContact N-O 2.96Å; G157-Q172 VanDerWaalsContact N-O 3.07Å; G157-Q172 WeakPolarHBondContact O-CB 3.36Å; G157-Q172 PolarHBondContact O-N 3.3Å; G157-D213 VanDerWaalsContact C-OD1 3.31Å; G157-D213 VanDerWaalsContact CA-OD1 3.25Å; G157-D213 WeakPolarHBondContact CA-OD1 3.47Å
158	W	96	Very high	91.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.27	C	S	.	.			trans	-105.5	21.7	176.5	-66.1	-86.4	0	0	0	111.4	Q43 K87 H88 L90 I167 A168 D169 L171 D213	Q43-W158 HydrophobicContact CG-CH2 3.73Å; Q43-W158 HydrophobicContact CG-CZ3 3.59Å; K87-W158 HydrophobicContact CB-CH2 4.2Å; K87-W158 HydrophobicContact CB-CZ2 4.02Å; K87-W158 WeakPolarHBondContact O-CZ2 3.49Å; H88-W158 PolarHBondContact O-NE1 3.36Å; L90-W158 HydrophobicContact CD1-CB 3.55Å; L90-W158 HydrophobicContact CD1-CD2 4.21Å; L90-W158 HydrophobicContact CD1-CG 3.57Å; L90-W158 HydrophobicContact CD2-CD2 3.89Å; L90-W158 HydrophobicContact CD2-CE3 4.32Å; L90-W158 HydrophobicContact CD2-CG 4.11Å; L90-W158 HydrophobicContact CD2-CZ2 4.43Å; L90-W158 HydrophobicContact CG-CB 4.22Å; L90-W158 HydrophobicContact CG-CD2 3.97Å; L90-W158 HydrophobicContact CG-CG 3.66Å; W158-I167 WeakPolarHBondContact O-CG2 3.47Å; W158-A168 PolarHBondContact O-N 2.88Å; W158-D169 PolarHBondContact NE1-O 2.86Å; W158-L171 HydrophobicContact CD2-CB 4.47Å; W158-L171 HydrophobicContact CD2-CD1 3.77Å; W158-L171 HydrophobicContact CE3-CD1 3.91Å; W158-L171 HydrophobicContact CG-CD1 4.41Å; W158-L171 HydrophobicContact CH2-CD1 3.91Å; W158-L171 HydrophobicContact CH2-CD2 4.37Å; W158-L171 HydrophobicContact CZ2-CB 3.76Å; W158-L171 HydrophobicContact CZ2-CD1 3.78Å; W158-L171 HydrophobicContact CZ2-CD2 4.18Å; W158-L171 HydrophobicContact CZ2-CG 4.1Å; W158-L171 HydrophobicContact CZ3-CD1 3.98Å; W158-L171 VanDerWaalsContact NE1-CA 3.29Å; W158-L171 VanDerWaalsContact NE1-N 3.12Å; W158-D213 PolarHBondContact N-OD1 2.97Å
159	G	88.8	Confident	90.9	Very high	4 Å²	4	47.7 Å²	47.7	4%	0.041	26%	0.264	C	S	.	.			trans	-57.8	175.1	177.5	0	0	0	0	0	113.1	L161 A168 N211 D213	G159-L161 PolarHBondContact O-N 3.27Å; G159-A168 PolarHBondContact O-N 2.82Å; G159-N211 CarbonylContact C-O 3.59Å; G159-N211 WeakPolarHBondContact CA-O 2.99Å; G159-D213 VanDerWaalsContact CA-OD1 3.24Å; G159-D213 WeakPolarHBondContact CA-OD1 3.3Å; G159-D213 PolarHBondContact N-OD1 3.23Å
160	R	85.2	Confident	90.8	Very high	94 Å²	94	46.3 Å²	46.3	36%	0.355	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-62.5	136	-179.7	-66.9	-179.5	-177.6	-105.5	0.9	110.7	Y162 G164 G165 P166 I167 C210 N211	R160-Y162 WeakPolarHBondContact CB-O 3.24Å; R160-Y162 PolarHBondContact O-N 2.88Å; R160-G164 PolarHBondContact NH1-O 3.46Å; R160-G165 VanDerWaalsContact CD-O 3.29Å; R160-G165 WeakPolarHBondContact CD-O 3.33Å; R160-G165 WeakPolarHBondContact CG-O 3.43Å; R160-G165 PolarHBondContact NH1-O 3.33Å; R160-P166 VanDerWaalsContact CA-O 3.23Å; R160-P166 WeakPolarHBondContact CA-O 3.35Å; R160-I167 HydrophobicContact CG-CG1 4.29Å; R160-C210 VanDerWaalsContact O-CB 3.29Å; R160-C210 WeakPolarHBondContact O-CB 3.12Å; R160-N211 HydrophobicContact CG-CB 4.32Å; R160-N211 PolarHBondContact N-O 3.25Å
161	L	81.2	Confident	90.8	Very high	97 Å²	97	41.6 Å²	41.6	51%	0.508	23%	0.234	S	C	.	.	S	Bend	trans	-64.2	-24.4	178.7	-64.1	176.2	0	0	0	113.1	G159 P166 A168 Q172	G159-L161 PolarHBondContact O-N 3.27Å; L161-P166 HydrophobicContact CD1-CG 4.39Å; L161-P166 PolarHBondContact N-O 2.9Å; L161-P166 VanDerWaalsContact N-O 3.1Å; L161-A168 HydrophobicContact CD2-CB 3.73Å; L161-A168 HydrophobicContact CG-CB 4.18Å; L161-Q172 HydrophobicContact CD2-CG 3.92Å
162	Y	78.4	Confident	90.8	Very high	143 Å²	143	42.6 Å²	42.6	56%	0.561	24%	0.236	S	C	*	.	S	Bend	trans	-160.6	170	173.8	55.5	-89	0	0	0	110.2	R160 G164 G165	R160-Y162 WeakPolarHBondContact CB-O 3.24Å; R160-Y162 PolarHBondContact O-N 2.88Å; Y162-G164 PolarHBondContact O-N 2.82Å; Y162-G164 VanDerWaalsContact O-N 3.13Å; Y162-G165 VanDerWaalsContact CZ-CA 3.42Å; Y162-G165 PolarHBondContact O-N 3.47Å
163	T	82.1	Confident	90.7	Very high	61 Å²	61	38.6 Å²	38.6	37%	0.374	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	118.1	179.5	-54.5	0	0	0	0	111.4	G165 S240 C241	T163-G165 PolarHBondContact O-N 2.72Å; T163-S240 VanDerWaalsContact OG1-CA 3.25Å; T163-S240 WeakPolarHBondContact OG1-CA 3.17Å; T163-S240 WeakPolarHBondContact OG1-CB 3.12Å; T163-C241 PolarHBondContact OG1-N 2.88Å
164	G	82.7	Confident	90.5	Very high	62 Å²	62	39 Å²	39	64%	0.639	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	-1.7	-177	0	0	0	0	0	115.4	R160 Y162	R160-G164 PolarHBondContact NH1-O 3.46Å; Y162-G164 PolarHBondContact O-N 2.82Å; Y162-G164 VanDerWaalsContact O-N 3.13Å
165	G	83.9	Confident	90.4	Very high	4 Å²	4	41.5 Å²	41.5	4%	0.041	23%	0.227	C	C	.	.			trans	-77.7	178.6	179.4	0	0	0	0	0	114.4	R160 Y162 T163	R160-G165 VanDerWaalsContact CD-O 3.29Å; R160-G165 WeakPolarHBondContact CD-O 3.33Å; R160-G165 WeakPolarHBondContact CG-O 3.43Å; R160-G165 PolarHBondContact NH1-O 3.33Å; Y162-G165 VanDerWaalsContact CZ-CA 3.42Å; Y162-G165 PolarHBondContact O-N 3.47Å; T163-G165 PolarHBondContact O-N 2.72Å
166	P	85.6	Confident	90.3	Very high	72 Å²	72	41.2 Å²	41.2	47%	0.468	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-66.6	154.6	178.8	30.8	-35.5	0	0	0	111.8	R160 L161	R160-P166 VanDerWaalsContact CA-O 3.23Å; R160-P166 WeakPolarHBondContact CA-O 3.35Å; L161-P166 HydrophobicContact CD1-CG 4.39Å; L161-P166 PolarHBondContact N-O 2.9Å; L161-P166 VanDerWaalsContact N-O 3.1Å
167	I	87.9	Confident	90.2	Very high	76 Å²	76	43.6 Å²	43.6	39%	0.39	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-65.4	142.2	163.9	-67.7	179.2	0	0	0	107.4	L90 W158 R160	L90-I167 HydrophobicContact CD1-CG2 4.37Å; W158-I167 WeakPolarHBondContact O-CG2 3.47Å; R160-I167 HydrophobicContact CG-CG1 4.29Å
168	A	92.3	Very high	90.3	Very high	3 Å²	3	43.6 Å²	43.6	3%	0.025	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-73.7	132.5	178.2	0	0	0	0	0	110.9	W158 G159 L161 I170 Q172	W158-A168 PolarHBondContact O-N 2.88Å; G159-A168 PolarHBondContact O-N 2.82Å; L161-A168 HydrophobicContact CD2-CB 3.73Å; L161-A168 HydrophobicContact CG-CB 4.18Å; A168-I170 WeakPolarHBondContact CB-O 3.28Å; A168-Q172 HydrophobicContact CB-CG 3.69Å
169	D	94.2	Very high	90.4	Very high	80 Å²	80	43.9 Å²	43.9	43%	0.428	24%	0.242	S	C	.	.	S	Bend	trans	-74.3	-44.8	172.3	-64.4	-29.8	0	0	0	110.1	N89 L90 L91 W158	N89-D169 CarbonylContact C-O 3.57Å; N89-D169 VanDerWaalsContact CA-O 3.24Å; N89-D169 WeakPolarHBondContact CA-O 3.23Å; L90-D169 PolarHBondContact N-O 3.3Å; L91-D169 HydrophobicContact CD1-CB 4.29Å; L91-D169 VanDerWaalsContact CD1-CG 3.46Å; L91-D169 WeakPolarHBondContact CD1-OD1 3.26Å; L91-D169 HydrophobicContact CG-CB 4.38Å; W158-D169 PolarHBondContact NE1-O 2.86Å
170	I	96.1	Very high	90.8	Very high	50 Å²	50	46.2 Å²	46.2	26%	0.256	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-88.3	138.2	177.6	-67.5	167.8	0	0	0	109.8	D34 H88 A168 Q172	D34-I170 HydrophobicContact CB-CG2 3.82Å; H88-I170 WeakPolarHBondContact CE1-CG2 3.48Å; A168-I170 WeakPolarHBondContact CB-O 3.28Å; I170-Q172 PolarHBondContact O-N 3.19Å; I170-Q172 PolarHBondContact O-NE2 2.78Å
171	L	96.7	Very high	91.4	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-57.6	128.9	177	-179.7	60.5	0	0	0	109.9	V35 Q43 H88 W158	V35-L171 HydrophobicContact CB-CB 4.17Å; V35-L171 HydrophobicContact CB-CD2 4.18Å; V35-L171 HydrophobicContact CB-CG 3.99Å; V35-L171 VanDerWaalsContact CB-O 3.3Å; V35-L171 WeakPolarHBondContact CB-O 3.43Å; V35-L171 HydrophobicContact CG1-CD2 3.92Å; V35-L171 HydrophobicContact CG1-CG 4.29Å; V35-L171 HydrophobicContact CG2-CB 4.48Å; V35-L171 HydrophobicContact CG2-CD2 4.19Å; V35-L171 HydrophobicContact CG2-CG 3.85Å; V35-L171 PolarHBondContact N-O 3.27Å; Q43-L171 HydrophobicContact CB-CD2 4.32Å; Q43-L171 HydrophobicContact CG-CD1 3.83Å; Q43-L171 HydrophobicContact CG-CD2 4.02Å; H88-L171 PolarHBondContact O-N 2.83Å; W158-L171 HydrophobicContact CD2-CB 4.47Å; W158-L171 HydrophobicContact CD2-CD1 3.77Å; W158-L171 HydrophobicContact CE3-CD1 3.91Å; W158-L171 HydrophobicContact CG-CD1 4.41Å; W158-L171 HydrophobicContact CH2-CD1 3.91Å; W158-L171 HydrophobicContact CH2-CD2 4.37Å; W158-L171 HydrophobicContact CZ2-CB 3.76Å; W158-L171 HydrophobicContact CZ2-CD1 3.78Å; W158-L171 HydrophobicContact CZ2-CD2 4.18Å; W158-L171 HydrophobicContact CZ2-CG 4.1Å; W158-L171 HydrophobicContact CZ3-CD1 3.98Å; W158-L171 VanDerWaalsContact NE1-CA 3.29Å; W158-L171 VanDerWaalsContact NE1-N 3.12Å
172	Q	95.8	Very high	92.3	Very high	34 Å²	34	45 Å²	45	16%	0.159	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	156.6	179.4	-56.9	-61.5	-65.4	0	0	111.2	E33 D34 T156 G157 L161 A168 I170	E33-Q172 VanDerWaalsContact C-OE1 3.31Å; E33-Q172 CarbonylContact O-C 3.46Å; E33-Q172 VanDerWaalsContact O-CA 3.3Å; E33-Q172 WeakPolarHBondContact O-CA 3.29Å; E33-Q172 PolarHBondContact O-OE1 3.17Å; D34-Q172 PolarHBondContact OD1-NE2 3.2Å; T156-Q172 VanDerWaalsContact CA-O 3.28Å; T156-Q172 WeakPolarHBondContact CA-O 3.27Å; G157-Q172 PolarHBondContact N-O 2.96Å; G157-Q172 VanDerWaalsContact N-O 3.07Å; G157-Q172 WeakPolarHBondContact O-CB 3.36Å; G157-Q172 PolarHBondContact O-N 3.3Å; L161-Q172 HydrophobicContact CD2-CG 3.92Å; A168-Q172 HydrophobicContact CB-CG 3.69Å; I170-Q172 PolarHBondContact O-N 3.19Å; I170-Q172 PolarHBondContact O-NE2 2.78Å
173	Q	94.8	Very high	93.2	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.1	167.1	61.4	174.5	29.8	0	0	111.6	I25 G32 E33 V35 V155 T156	I25-Q173 PolarHBondContact O-NE2 3.46Å; G32-Q173 CarbonylContact C-O 3.53Å; G32-Q173 WeakPolarHBondContact CA-O 3.25Å; E33-Q173 HydrophobicContact CG-CG 3.69Å; E33-Q173 PolarHBondContact N-O 3.33Å; E33-Q173 PolarHBondContact O-N 3.17Å; E33-Q173 PolarHBondContact OE1-NE2 3.36Å; V35-Q173 HydrophobicContact CG2-CB 3.51Å; V35-Q173 HydrophobicContact CG2-CG 3.68Å; V155-Q173 CarbonylContact O-C 3.54Å; V155-Q173 VanDerWaalsContact O-CA 3.29Å; V155-Q173 WeakPolarHBondContact O-CA 3.21Å; T156-Q173 HydrophobicContact CG2-CB 3.9Å
174	A	92.6	Very high	93.9	Very high	10 Å²	10	36.5 Å²	36.5	8%	0.083	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	130.4	178.1	0	0	0	0	0	111.5	F154 V155 L176 V207	F154-A174 CarbonylContact C-O 3.54Å; F154-A174 VanDerWaalsContact CA-O 3.27Å; F154-A174 WeakPolarHBondContact CA-O 3.4Å; V155-A174 HydrophobicContact CG1-CB 3.72Å; V155-A174 PolarHBondContact N-O 2.85Å; V155-A174 PolarHBondContact O-N 3.09Å; A174-L176 PolarHBondContact O-N 3.41Å; A174-V207 HydrophobicContact CB-CG1 3.28Å
175	L	93.3	Very high	94.7	Very high	64 Å²	64	35.3 Å²	35.3	34%	0.335	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	118.8	170.5	176.8	68.4	0	0	0	109.8	P152 C153 F154	P152-L175 HydrophobicContact CB-CD1 3.77Å; C153-L175 CarbonylContact O-C 3.47Å; C153-L175 WeakPolarHBondContact O-CA 3.16Å; F154-L175 HydrophobicContact CD1-CB 4.25Å; F154-L175 HydrophobicContact CD2-CD1 4.4Å; F154-L175 HydrophobicContact CE1-CB 3.84Å; F154-L175 HydrophobicContact CE1-CD1 4.19Å; F154-L175 HydrophobicContact CE2-CD1 3.88Å; F154-L175 HydrophobicContact CZ-CB 4.23Å; F154-L175 HydrophobicContact CZ-CD1 3.76Å
176	L	94.4	Very high	95.4	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	107.8	174.5	-59.8	-174.6	0	0	0	109.5	C153 V155 A174 V178 A201 V207 F250	C153-L176 PolarHBondContact N-O 3.13Å; C153-L176 PolarHBondContact O-N 2.82Å; V155-L176 HydrophobicContact CB-CD1 3.84Å; V155-L176 HydrophobicContact CB-CG 4.47Å; V155-L176 HydrophobicContact CG1-CD1 3.56Å; V155-L176 HydrophobicContact CG1-CG 3.93Å; A174-L176 PolarHBondContact O-N 3.41Å; L176-V178 PolarHBondContact O-N 3.02Å; L176-A201 HydrophobicContact CB-CB 3.62Å; L176-A201 HydrophobicContact CD1-CB 4.29Å; L176-V207 HydrophobicContact CD2-CB 4.16Å; L176-V207 HydrophobicContact CD2-CG1 3.89Å; L176-F250 HydrophobicContact CD1-CE2 4.41Å; L176-F250 HydrophobicContact CD1-CZ 3.99Å
177	P	95.7	Very high	95.9	Very high	51 Å²	51	41.5 Å²	41.5	33%	0.331	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	135.6	170.9	-21.7	33.4	0	0	0	110.9	A151 A201 G202	A151-P177 WeakPolarHBondContact O-CA 3.42Å; P177-A201 CarbonylContact O-C 3.57Å; P177-A201 WeakPolarHBondContact O-CA 3.34Å; P177-G202 PolarHBondContact O-N 2.77Å
178	V	98.2	Very high	96.3	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	135.3	178.1	171.7	0	0	0	0	111.2	L147 H149 N150 A151 L176 V199	L147-V178 HydrophobicContact CB-CG1 4.01Å; L147-V178 HydrophobicContact CB-CG2 4.04Å; L147-V178 HydrophobicContact CD1-CG2 3.88Å; L147-V178 HydrophobicContact CG-CG2 4.49Å; H149-V178 PolarHBondContact ND1-O 2.88Å; N150-V178 PolarHBondContact N-O 2.91Å; A151-V178 HydrophobicContact CB-CB 4.11Å; A151-V178 HydrophobicContact CB-CG2 3.88Å; A151-V178 PolarHBondContact O-N 2.68Å; L176-V178 PolarHBondContact O-N 3.02Å; V178-V199 HydrophobicContact CG1-CG2 4.1Å
179	V	98.4	Very high	96.6	Very high	7 Å²	7	43 Å²	43	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.2	170.3	-179.3	0	0	0	0	107.1	T183 C184 W189 C200 G202 P247	V179-T183 HydrophobicContact CG1-CG2 3.8Å; V179-C184 HydrophobicContact CG1-CB 3.94Å; V179-W189 HydrophobicContact CB-CZ3 4.26Å; V179-W189 HydrophobicContact CG1-CE3 4.03Å; V179-W189 HydrophobicContact CG1-CH2 3.88Å; V179-W189 HydrophobicContact CG1-CZ3 3.44Å; V179-W189 VanDerWaalsContact CG1-CZ3 3.44Å; V179-W189 HydrophobicContact CG2-CH2 4.27Å; V179-W189 HydrophobicContact CG2-CZ3 3.92Å; V179-C200 HydrophobicContact CB-CB 3.86Å; V179-C200 HydrophobicContact CG1-CB 4.45Å; V179-C200 PolarHBondContact N-O 2.84Å; V179-G202 VanDerWaalsContact CG2-O 3.27Å; V179-G202 WeakPolarHBondContact CG2-O 3.49Å; V179-P247 HydrophobicContact CG2-CB 4.31Å; V179-P247 HydrophobicContact CG2-CG 4.42Å
180	D	98	Very high	96.7	Very high	52 Å²	52	41 Å²	41	28%	0.278	23%	0.23	S	C	.	.			trans	-63.2	158.9	-179.8	63	37.8	0	0	0	112	H149 A182 T183 C184	H149-D180 HydrophobicContact CB-CB 3.98Å; H149-D180 WeakPolarHBondContact CB-OD2 3.32Å; H149-D180 IonicContact CG-OD2 3.79Å; H149-D180 PolarHBondContact ND1-N 2.9Å; D180-A182 VanDerWaalsContact C-N 3.26Å; D180-A182 PolarHBondContact O-N 3.08Å; D180-A182 PolarHBondContact OD1-N 2.86Å; D180-T183 PolarHBondContact O-N 2.78Å; D180-T183 WeakPolarHBondContact OD1-CB 3.44Å; D180-T183 PolarHBondContact OD1-N 3.28Å; D180-T183 PolarHBondContact OD1-OG1 2.88Å; D180-C184 VanDerWaalsContact O-CB 3.31Å; D180-C184 WeakPolarHBondContact O-CB 3.15Å; D180-C184 PolarHBondContact O-N 3.48Å
181	Y	98.3	Very high	96.8	Very high	96 Å²	96	39.3 Å²	39.3	38%	0.376	22%	0.224	S	C	.	.	H	α-helix	trans	-58.3	-38.5	-179.3	175.5	-105.8	0	0	0	112.3	T183 C184 S185 V194 T195 Q196	Y181-T183 VanDerWaalsContact C-N 3.29Å; Y181-T183 PolarHBondContact O-N 2.85Å; Y181-C184 PolarHBondContact O-N 2.87Å; Y181-S185 WeakPolarHBondContact O-CB 3.32Å; Y181-S185 PolarHBondContact O-N 3.49Å; Y181-S185 PolarHBondContact O-OG 3.49Å; Y181-V194 HydrophobicContact CE2-CG2 4.28Å; Y181-T195 WeakPolarHBondContact CD2-O 3.21Å; Y181-Q196 HydrophobicContact CD1-CG 3.97Å; Y181-Q196 HydrophobicContact CD2-CG 4.49Å; Y181-Q196 HydrophobicContact CE1-CG 3.7Å; Y181-Q196 HydrophobicContact CE2-CG 4.29Å; Y181-Q196 HydrophobicContact CG-CG 4.35Å
182	A	98.3	Very high	96.8	Very high	69 Å²	69	44.6 Å²	44.6	57%	0.57	26%	0.261	S	S	*	.	H	α-helix	trans	-62.4	-36.7	-178.9	0	0	0	0	0	112.5	D180 S185 Q186	D180-A182 VanDerWaalsContact C-N 3.26Å; D180-A182 PolarHBondContact O-N 3.08Å; D180-A182 PolarHBondContact OD1-N 2.86Å; A182-S185 PolarHBondContact O-OG 2.84Å; A182-Q186 WeakPolarHBondContact O-CG 3.3Å
183	T	98.3	Very high	96.8	Very high	27 Å²	27	46 Å²	46	17%	0.166	27%	0.268	C	S	.	.	H	α-helix	trans	-78.1	-48.3	175.1	-56.3	0	0	0	0	110.6	V179 D180 Y181 S185 Q186 W189	V179-T183 HydrophobicContact CG1-CG2 3.8Å; D180-T183 PolarHBondContact O-N 2.78Å; D180-T183 WeakPolarHBondContact OD1-CB 3.44Å; D180-T183 PolarHBondContact OD1-N 3.28Å; D180-T183 PolarHBondContact OD1-OG1 2.88Å; Y181-T183 VanDerWaalsContact C-N 3.29Å; Y181-T183 PolarHBondContact O-N 2.85Å; T183-S185 PolarHBondContact O-N 3.1Å; T183-Q186 WeakPolarHBondContact O-CB 3.4Å; T183-Q186 VanDerWaalsContact O-CG 3.29Å; T183-Q186 WeakPolarHBondContact O-CG 3.47Å; T183-Q186 PolarHBondContact O-N 2.83Å; T183-Q186 VanDerWaalsContact O-N 3.1Å; T183-W189 HydrophobicContact CG2-CD2 4.14Å; T183-W189 HydrophobicContact CG2-CE3 4.42Å; T183-W189 HydrophobicContact CG2-CH2 3.76Å; T183-W189 HydrophobicContact CG2-CZ2 3.42Å; T183-W189 VanDerWaalsContact CG2-CZ2 3.42Å; T183-W189 HydrophobicContact CG2-CZ3 4.26Å
184	C	97.8	Very high	97	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-29.3	-175.9	-160	0	0	0	0	112.9	V179 D180 Y181 W189 W190 V194 C200	V179-C184 HydrophobicContact CG1-CB 3.94Å; D180-C184 VanDerWaalsContact O-CB 3.31Å; D180-C184 WeakPolarHBondContact O-CB 3.15Å; D180-C184 PolarHBondContact O-N 3.48Å; Y181-C184 PolarHBondContact O-N 2.87Å; C184-W189 VanDerWaalsContact O-CB 3.31Å; C184-W189 WeakPolarHBondContact O-CB 3.31Å; C184-W190 WeakPolarHBondContact O-CB 3.44Å; C184-W190 PolarHBondContact O-N 3.34Å; C184-W190 VanDerWaalsContact SG-CD1 3.52Å; C184-V194 HydrophobicContact CB-CG2 4.41Å; C184-C200 HydrophobicContact CB-CB 3.73Å; C184-C200 WeakPolarHBondContact CB-SG 3.43Å; C184-C200 WeakPolarHBondContact SG-CB 3.39Å; C184-C200 CovalentContact SG-SG 2.02Å; C184-C200 PolarHBondContact SG-SG 3.48Å
185	S	98.4	Very high	97.2	Very high	36 Å²	36	46.9 Å²	46.9	25%	0.252	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	2.4	178.8	62.1	0	0	0	0	114.8	Y181 A182 T183 G191	Y181-S185 WeakPolarHBondContact O-CB 3.32Å; Y181-S185 PolarHBondContact O-N 3.49Å; Y181-S185 PolarHBondContact O-OG 3.49Å; A182-S185 PolarHBondContact O-OG 2.84Å; T183-S185 PolarHBondContact O-N 3.1Å; S185-G191 VanDerWaalsContact O-CA 3.3Å; S185-G191 WeakPolarHBondContact O-CA 3.47Å
186	Q	98.4	Very high	97.5	Very high	87 Å²	87	50.8 Å²	50.8	41%	0.407	29%	0.289	S	S	.	.	S	Bend	trans	-63.5	151.9	173.3	-68.2	175.8	11	0	0	111.4	A182 T183 D188 W189 G191	A182-Q186 WeakPolarHBondContact O-CG 3.3Å; T183-Q186 WeakPolarHBondContact O-CB 3.4Å; T183-Q186 VanDerWaalsContact O-CG 3.29Å; T183-Q186 WeakPolarHBondContact O-CG 3.47Å; T183-Q186 PolarHBondContact O-N 2.83Å; T183-Q186 VanDerWaalsContact O-N 3.1Å; Q186-D188 VanDerWaalsContact C-N 3.31Å; Q186-D188 PolarHBondContact O-N 3.38Å; Q186-W189 HydrophobicContact CB-CB 4.24Å; Q186-W189 HydrophobicContact CB-CG 4.21Å; Q186-W189 CarbonylContact O-C 3.57Å; Q186-W189 WeakPolarHBondContact O-CA 3.44Å; Q186-W189 WeakPolarHBondContact O-CB 3.39Å; Q186-W189 PolarHBondContact O-N 2.81Å; Q186-G191 WeakPolarHBondContact O-CA 3.43Å; Q186-G191 PolarHBondContact O-N 3.25Å
187	S	96.9	Very high	97.6	Very high	120 Å²	120	53 Å²	53	84%	0.839	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-29.7	-174.1	53.7	0	0	0	0	114.4	W189	S187-W189 VanDerWaalsContact C-N 3.33Å
188	D	95.7	Very high	97.8	Very high	71 Å²	71	51 Å²	51	38%	0.38	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.3	173.7	64.7	-40.2	0	0	0	112.9	Q186 K245 K246	Q186-D188 VanDerWaalsContact C-N 3.31Å; Q186-D188 PolarHBondContact O-N 3.38Å; D188-K245 IonicContact OD2-NZ 2.65Å; D188-K245 PolarHBondContact OD2-NZ 2.78Å; D188-K246 PolarHBondContact O-NZ 3.4Å
189	W	97.5	Very high	97.8	Very high	40 Å²	40	51.5 Å²	51.5	15%	0.152	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-134.9	168.8	-67.7	69.1	0	0	0	109.9	V179 T183 C184 Q186 S187 G191 K245 K246 P247	V179-W189 HydrophobicContact CB-CZ3 4.26Å; V179-W189 HydrophobicContact CG1-CE3 4.03Å; V179-W189 HydrophobicContact CG1-CH2 3.88Å; V179-W189 HydrophobicContact CG1-CZ3 3.44Å; V179-W189 VanDerWaalsContact CG1-CZ3 3.44Å; V179-W189 HydrophobicContact CG2-CH2 4.27Å; V179-W189 HydrophobicContact CG2-CZ3 3.92Å; T183-W189 HydrophobicContact CG2-CD2 4.14Å; T183-W189 HydrophobicContact CG2-CE3 4.42Å; T183-W189 HydrophobicContact CG2-CH2 3.76Å; T183-W189 HydrophobicContact CG2-CZ2 3.42Å; T183-W189 VanDerWaalsContact CG2-CZ2 3.42Å; T183-W189 HydrophobicContact CG2-CZ3 4.26Å; C184-W189 VanDerWaalsContact O-CB 3.31Å; C184-W189 WeakPolarHBondContact O-CB 3.31Å; Q186-W189 HydrophobicContact CB-CB 4.24Å; Q186-W189 HydrophobicContact CB-CG 4.21Å; Q186-W189 CarbonylContact O-C 3.57Å; Q186-W189 WeakPolarHBondContact O-CA 3.44Å; Q186-W189 WeakPolarHBondContact O-CB 3.39Å; Q186-W189 PolarHBondContact O-N 2.81Å; S187-W189 VanDerWaalsContact C-N 3.33Å; W189-G191 VanDerWaalsContact C-N 3.33Å; W189-K245 WeakPolarHBondContact CA-O 3.44Å; W189-K245 HydrophobicContact CD2-CB 4.03Å; W189-K245 HydrophobicContact CD2-CG 4.45Å; W189-K245 HydrophobicContact CE3-CB 4.39Å; W189-K245 HydrophobicContact CG-CB 4.25Å; W189-K245 HydrophobicContact CZ2-CG 4.34Å; W189-K246 VanDerWaalsContact C-NZ 3.33Å; W189-K246 WeakPolarHBondContact O-CE 3.33Å; W189-K246 PolarHBondContact O-NZ 3.03Å; W189-P247 HydrophobicContact CE3-CG 4.03Å; W189-P247 HydrophobicContact CZ3-CG 3.98Å
190	W	97.4	Very high	97.8	Very high	38 Å²	38	51.3 Å²	51.3	14%	0.144	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-10.1	-178.6	-74.8	114.3	0	0	0	113.5	C184 S192 Q193 V194 F235 K246 P247 V249	C184-W190 WeakPolarHBondContact O-CB 3.44Å; C184-W190 PolarHBondContact O-N 3.34Å; C184-W190 VanDerWaalsContact SG-CD1 3.52Å; W190-S192 PolarHBondContact O-N 2.78Å; W190-Q193 HydrophobicContact CB-CB 4.48Å; W190-Q193 HydrophobicContact CE3-CB 4.46Å; W190-Q193 HydrophobicContact CE3-CG 4.36Å; W190-Q193 WeakPolarHBondContact O-CB 3.25Å; W190-Q193 PolarHBondContact O-N 2.03Å; W190-Q193 VanDerWaalsContact O-N 3.08Å; W190-V194 HydrophobicContact CB-CB 4.24Å; W190-V194 HydrophobicContact CB-CG1 3.49Å; W190-V194 VanDerWaalsContact CB-CG1 3.49Å; W190-V194 HydrophobicContact CB-CG2 3.85Å; W190-V194 HydrophobicContact CG-CG1 3.85Å; W190-F235 HydrophobicContact CD2-CE2 4.21Å; W190-F235 HydrophobicContact CE3-CE2 4.13Å; W190-F235 HydrophobicContact CH2-CD2 4.23Å; W190-F235 HydrophobicContact CH2-CE2 4.19Å; W190-F235 HydrophobicContact CZ2-CD2 4.42Å; W190-F235 HydrophobicContact CZ2-CE2 4.27Å; W190-F235 HydrophobicContact CZ3-CD2 4.5Å; W190-F235 HydrophobicContact CZ3-CE2 4.12Å; W190-K246 HydrophobicContact CD2-CD 3.73Å; W190-K246 HydrophobicContact CE3-CD 3.78Å; W190-K246 HydrophobicContact CG-CD 4.41Å; W190-K246 HydrophobicContact CH2-CB 4.25Å; W190-K246 HydrophobicContact CH2-CD 3.93Å; W190-K246 HydrophobicContact CZ2-CB 3.68Å; W190-K246 HydrophobicContact CZ2-CD 3.88Å; W190-K246 HydrophobicContact CZ2-CG 4.32Å; W190-K246 HydrophobicContact CZ3-CD 3.88Å; W190-P247 PolarHBondContact NE1-O 2.86Å; W190-V249 HydrophobicContact CD2-CG2 4.41Å; W190-V249 HydrophobicContact CG-CG2 4.31Å; W190-V249 HydrophobicContact CZ2-CG2 4.5Å
191	G	97.9	Very high	97.8	Very high	14 Å²	14	48.9 Å²	48.9	14%	0.144	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	55.8	-138	179.2	0	0	0	0	0	112	S185 Q186 W189 Q193 V194	S185-G191 VanDerWaalsContact O-CA 3.3Å; S185-G191 WeakPolarHBondContact O-CA 3.47Å; Q186-G191 WeakPolarHBondContact O-CA 3.43Å; Q186-G191 PolarHBondContact O-N 3.25Å; W189-G191 VanDerWaalsContact C-N 3.33Å; G191-Q193 PolarHBondContact O-N 2.95Å; G191-V194 WeakPolarHBondContact O-CG2 3.2Å
192	S	96.6	Very high	97.6	Very high	114 Å²	114	44.8 Å²	44.8	80%	0.797	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-70.1	-4.6	177.5	66.3	0	0	0	0	115.3	R117 W190 V194	R117-S192 PolarHBondContact NH2-O 3.36Å; W190-S192 PolarHBondContact O-N 2.78Å; S192-V194 VanDerWaalsContact C-N 3.32Å
193	Q	96.8	Very high	97.1	Very high	63 Å²	63	41.9 Å²	41.9	29%	0.294	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-67.5	-35.3	178	-174.5	61.7	24.4	0	0	111.3	R117 W190 G191 F235	R117-Q193 VanDerWaalsContact CZ-O 3.3Å; R117-Q193 PolarHBondContact NH1-O 3.49Å; R117-Q193 PolarHBondContact NH2-O 2.95Å; W190-Q193 HydrophobicContact CB-CB 4.48Å; W190-Q193 HydrophobicContact CE3-CB 4.46Å; W190-Q193 HydrophobicContact CE3-CG 4.36Å; W190-Q193 WeakPolarHBondContact O-CB 3.25Å; W190-Q193 PolarHBondContact O-N 2.03Å; W190-Q193 VanDerWaalsContact O-N 3.08Å; G191-Q193 PolarHBondContact O-N 2.95Å; Q193-F235 HydrophobicContact CG-CE2 3.96Å; Q193-F235 HydrophobicContact CG-CZ 3.89Å
194	V	97.9	Very high	96.6	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	26%	0.259	C	S	.	.			trans	-89.3	150.1	178.4	-70.8	0	0	0	0	111.8	Y181 C184 W190 G191 S192 M198 F235 V249	Y181-V194 HydrophobicContact CE2-CG2 4.28Å; C184-V194 HydrophobicContact CB-CG2 4.41Å; W190-V194 HydrophobicContact CB-CB 4.24Å; W190-V194 HydrophobicContact CB-CG1 3.49Å; W190-V194 VanDerWaalsContact CB-CG1 3.49Å; W190-V194 HydrophobicContact CB-CG2 3.85Å; W190-V194 HydrophobicContact CG-CG1 3.85Å; G191-V194 WeakPolarHBondContact O-CG2 3.2Å; S192-V194 VanDerWaalsContact C-N 3.32Å; V194-M198 HydrophobicContact CB-SD 4.45Å; V194-F235 HydrophobicContact CG1-CZ 4.28Å; V194-V249 HydrophobicContact CG1-CG1 4.12Å; V194-V249 HydrophobicContact CG1-CG2 3.85Å
195	T	98	Very high	95.9	Very high	31 Å²	31	46.3 Å²	46.3	19%	0.19	27%	0.27	C	S	.	.			trans	-129.1	170.8	-179.7	64.7	0	0	0	0	110.8	R117 Y181 T197 M198	R117-T195 VanDerWaalsContact CZ-CG2 3.44Å; Y181-T195 WeakPolarHBondContact CD2-O 3.21Å; T195-T197 PolarHBondContact O-N 3.01Å; T195-T197 PolarHBondContact OG1-OG1 3.28Å; T195-M198 PolarHBondContact N-SD 2.79Å; T195-M198 WeakPolarHBondContact O-CB 3.41Å; T195-M198 PolarHBondContact O-N 2.99Å; T195-M198 VanDerWaalsContact O-N 3.16Å
196	Q	97.8	Very high	95.2	Very high	145 Å²	145	47.6 Å²	47.6	68%	0.678	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.4	179.6	-67.2	177.7	-15.8	0	0	114	Y181 M198 Q252	Y181-Q196 HydrophobicContact CD1-CG 3.97Å; Y181-Q196 HydrophobicContact CD2-CG 4.49Å; Y181-Q196 HydrophobicContact CE1-CG 3.7Å; Y181-Q196 HydrophobicContact CE2-CG 4.29Å; Y181-Q196 HydrophobicContact CG-CG 4.35Å; Q196-M198 VanDerWaalsContact C-N 3.27Å; Q196-Q252 PolarHBondContact O-OE1 2.7Å
197	T	98.3	Very high	94.4	Very high	47 Å²	47	44.2 Å²	44.2	29%	0.288	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	17.8	173	58.5	0	0	0	0	112.3	T195 Q252	T195-T197 PolarHBondContact O-N 3.01Å; T195-T197 PolarHBondContact OG1-OG1 3.28Å; T197-Q252 WeakPolarHBondContact O-CB 3.36Å; T197-Q252 PolarHBondContact O-N 3.43Å
198	M	98.7	Very high	93.7	Very high	11 Å²	11	39.7 Å²	39.7	5%	0.054	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.8	179.3	-62.7	167.7	174.2	0	0	109.9	I116 V194 T195 Q196 F235 V249 F250	I116-M198 WeakPolarHBondContact O-CE 3.07Å; V194-M198 HydrophobicContact CB-SD 4.45Å; T195-M198 PolarHBondContact N-SD 2.79Å; T195-M198 WeakPolarHBondContact O-CB 3.41Å; T195-M198 PolarHBondContact O-N 2.99Å; T195-M198 VanDerWaalsContact O-N 3.16Å; Q196-M198 VanDerWaalsContact C-N 3.27Å; M198-F235 HydrophobicContact CE-CE1 4.21Å; M198-F235 HydrophobicContact SD-CE1 4.17Å; M198-V249 HydrophobicContact CB-CG1 3.9Å; M198-V249 HydrophobicContact CG-CG1 4.17Å; M198-V249 HydrophobicContact SD-CG1 3.96Å; M198-F250 CarbonylContact C-O 3.57Å; M198-F250 WeakPolarHBondContact CA-O 3.31Å; M198-F250 WeakPolarHBondContact CB-O 3.08Å
199	V	98.3	Very high	93	Very high	11 Å²	11	36.6 Å²	36.6	7%	0.067	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.3	171.2	62.3	0	0	0	0	109.4	L147 V178 L218 F250 Q252	L147-V199 HydrophobicContact CD1-CG2 4.36Å; V178-V199 HydrophobicContact CG1-CG2 4.1Å; V199-L218 HydrophobicContact CG1-CD2 3.93Å; V199-L218 HydrophobicContact CG2-CD2 4.4Å; V199-F250 HydrophobicContact CG1-CB 3.67Å; V199-F250 HydrophobicContact CG1-CG 4.38Å; V199-F250 PolarHBondContact N-O 3.1Å; V199-F250 PolarHBondContact O-N 3.36Å; V199-Q252 HydrophobicContact CB-CB 4.47Å
200	C	98.4	Very high	92.4	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.027	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	143.9	176.8	-60	0	0	0	0	109.5	V179 C184 P247 T248	V179-C200 HydrophobicContact CB-CB 3.86Å; V179-C200 HydrophobicContact CG1-CB 4.45Å; V179-C200 PolarHBondContact N-O 2.84Å; C184-C200 HydrophobicContact CB-CB 3.73Å; C184-C200 WeakPolarHBondContact CB-SG 3.43Å; C184-C200 WeakPolarHBondContact SG-CB 3.39Å; C184-C200 CovalentContact SG-SG 2.02Å; C184-C200 PolarHBondContact SG-SG 3.48Å; C200-P247 HydrophobicContact CB-CB 4.2Å; C200-P247 HydrophobicContact CB-CG 3.8Å; C200-T248 WeakPolarHBondContact CA-O 3.42Å
201	A	97.4	Very high	91.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	144.1	173.4	0	0	0	0	0	112.1	L176 P177 L218 P247 T248 F250	L176-A201 HydrophobicContact CB-CB 3.62Å; L176-A201 HydrophobicContact CD1-CB 4.29Å; P177-A201 CarbonylContact O-C 3.57Å; P177-A201 WeakPolarHBondContact O-CA 3.34Å; A201-L218 HydrophobicContact CB-CD1 4.12Å; A201-L218 HydrophobicContact CB-CD2 4.31Å; A201-P247 VanDerWaalsContact O-CB 3.25Å; A201-P247 WeakPolarHBondContact O-CB 3.49Å; A201-T248 PolarHBondContact N-O 2.97Å; A201-T248 PolarHBondContact O-N 3.49Å; A201-T248 VanDerWaalsContact O-N 3.13Å; A201-F250 HydrophobicContact CB-CE2 3.89Å
202	G	94.8	Very high	90.4	Very high	11 Å²	11	38.2 Å²	38.2	11%	0.113	23%	0.23	C	C	.	.			trans	83.5	-139.6	-176.2	0	0	0	0	0	113.2	P177 V179	P177-G202 PolarHBondContact O-N 2.77Å; V179-G202 VanDerWaalsContact CG2-O 3.27Å; V179-G202 WeakPolarHBondContact CG2-O 3.49Å
203	G	88.3	Confident	90.1	Very high	8 Å²	8	33.5 Å²	33.5	8%	0.082	20%	0.196	C	C	.	.			trans	91.6	12.4	176.8	0	0	0	0	0	115.1	G205 N244 K245	G203-G205 PolarHBondContact O-N 2.96Å; G203-N244 PolarHBondContact O-OD1 3.24Å; G203-K245 PolarHBondContact O-N 2.8Å
204	D	86.8	Confident	90	Very high	97 Å²	97	31.5 Å²	31.5	52%	0.519	19%	0.189	S	C	.	.	S	Bend	trans	-74.1	-8.3	172.9	66.7	-7.8	0	0	0	113.7	V206 V207	D204-V206 PolarHBondContact OD1-N 2.96Å; D204-V207 PolarHBondContact OD1-N 2.78Å; D204-V207 VanDerWaalsContact OD1-N 3.16Å
205	G	84.4	Confident	90.1	Very high	23 Å²	23	31.4 Å²	31.4	24%	0.237	19%	0.189	C	C	.	.	S	Bend	trans	87.8	3	-177.3	0	0	0	0	0	114.2	G203 N242	G203-G205 PolarHBondContact O-N 2.96Å; G205-N242 CarbonylContact C-O 3.36Å; G205-N242 WeakPolarHBondContact CA-O 3.42Å; G205-N242 PolarHBondContact O-ND2 3.17Å
206	V	82.4	Confident	90.1	Very high	62 Å²	62	30 Å²	30	38%	0.376	18%	0.18	S	C	.	.	S	Bend	trans	-111.7	-53.1	-174.9	-174.6	0	0	0	0	110.3	V30 N31 D204	V30-V206 HydrophobicContact CG1-CG1 4.14Å; N31-V206 WeakPolarHBondContact OD1-CG1 3.32Å; D204-V206 PolarHBondContact OD1-N 2.96Å
207	V	82.6	Confident	90.1	Very high	16 Å²	16	23 Å²	23	10%	0.097	15%	0.147	C	C	.	.			trans	-122.7	139.9	-174.1	-167.3	0	0	0	0	111.1	A174 L176 D204	A174-V207 HydrophobicContact CB-CG1 3.28Å; L176-V207 HydrophobicContact CD2-CB 4.16Å; L176-V207 HydrophobicContact CD2-CG1 3.89Å; D204-V207 PolarHBondContact OD1-N 2.78Å; D204-V207 VanDerWaalsContact OD1-N 3.16Å
208	S	82.8	Confident	90.1	Very high	26 Å²	26	20.8 Å²	20.8	18%	0.182	13%	0.134	C	C	.	.			trans	-163.1	158.9	-177	59	0	0	0	0	111.1	C241 N242	S208-C241 WeakPolarHBondContact CB-O 3.43Å; S208-C241 PolarHBondContact OG-O 3.45Å; S208-C241 VanDerWaalsContact OG-O 3.05Å; S208-N242 WeakPolarHBondContact OG-CA 3.47Å; S208-N242 WeakPolarHBondContact OG-CB 3.3Å; S208-N242 PolarHBondContact OG-N 2.86Å
209	G	79.6	Confident	90.1	Very high	6 Å²	6	20.3 Å²	20.3	6%	0.062	13%	0.131	C	C	.	.			trans	-67.6	154.4	157.4	0	0	0	0	0	111.5	T248	G209-T248 PolarHBondContact N-OG1 3.47Å
210	C	86.2	Confident	90.1	Very high	13 Å²	13	20 Å²	20	9%	0.088	13%	0.129	C	C	.	.			trans	-138.2	179.7	-176.9	-158.4	0	0	0	0	112.1	R160 G212 D213 C241	R160-C210 VanDerWaalsContact O-CB 3.29Å; R160-C210 WeakPolarHBondContact O-CB 3.12Å; C210-G212 PolarHBondContact O-N 3.42Å; C210-D213 PolarHBondContact N-OD2 3.2Å; C210-D213 WeakPolarHBondContact O-CB 3.49Å; C210-D213 PolarHBondContact O-N 3.2Å; C210-C241 WeakPolarHBondContact CA-SG 3.32Å; C210-C241 HydrophobicContact CB-CB 3.6Å; C210-C241 WeakPolarHBondContact CB-SG 2.97Å; C210-C241 WeakPolarHBondContact SG-CB 3.49Å; C210-C241 CovalentContact SG-SG 2.03Å; C210-C241 PolarHBondContact SG-SG 2.82Å
211	N	75.2	Confident	90	Very high	99 Å²	99	25 Å²	25	53%	0.529	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	126.7	-178.9	-65.6	-69.5	0	0	0	111	G159 R160	G159-N211 CarbonylContact C-O 3.59Å; G159-N211 WeakPolarHBondContact CA-O 2.99Å; R160-N211 HydrophobicContact CG-CB 4.32Å; R160-N211 PolarHBondContact N-O 3.25Å
212	G	77.5	Confident	89.7	Confident	14 Å²	14	25.6 Å²	25.6	14%	0.144	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.9	-19.8	-174.5	0	0	0	0	0	113.7	H56 C210 S214	H56-G212 PolarHBondContact NE2-O 3.26Å; C210-G212 PolarHBondContact O-N 3.42Å; G212-S214 VanDerWaalsContact C-N 3.27Å
213	D	89.9	Confident	89.3	Confident	14 Å²	14	31.8 Å²	31.8	8%	0.075	20%	0.2	C	C	.	.			trans	-79.1	-13.2	170.2	-60.1	-46	0	0	0	112.6	G157 W158 G159 C210 G215 G216 V233	G157-D213 VanDerWaalsContact C-OD1 3.31Å; G157-D213 VanDerWaalsContact CA-OD1 3.25Å; G157-D213 WeakPolarHBondContact CA-OD1 3.47Å; W158-D213 PolarHBondContact N-OD1 2.97Å; G159-D213 VanDerWaalsContact CA-OD1 3.24Å; G159-D213 WeakPolarHBondContact CA-OD1 3.3Å; G159-D213 PolarHBondContact N-OD1 3.23Å; C210-D213 PolarHBondContact N-OD2 3.2Å; C210-D213 WeakPolarHBondContact O-CB 3.49Å; C210-D213 PolarHBondContact O-N 3.2Å; D213-G215 PolarHBondContact O-N 3.38Å; D213-G216 WeakPolarHBondContact O-CA 3.47Å; D213-G216 PolarHBondContact O-N 3.23Å; D213-V233 HydrophobicContact CB-CG1 4.31Å; D213-V233 HydrophobicContact CB-CG2 4.4Å; D213-V233 VanDerWaalsContact O-CB 3.3Å; D213-V233 WeakPolarHBondContact O-CB 3.38Å; D213-V233 WeakPolarHBondContact O-CG2 3.13Å
214	S	95.8	Very high	89.4	Confident	22 Å²	22	37.2 Å²	37.2	15%	0.154	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.9	132.1	174.7	-75.5	0	0	0	0	112.5	C58 G59 H73 G212 G216	C58-S214 CarbonylContact C-O 3.46Å; C58-S214 WeakPolarHBondContact CA-O 3.36Å; C58-S214 WeakPolarHBondContact CB-O 3.39Å; C58-S214 VanDerWaalsContact SG-CB 3.54Å; G59-S214 PolarHBondContact N-O 3.16Å; H73-S214 WeakPolarHBondContact NE2-CB 3.24Å; H73-S214 PolarHBondContact NE2-OG 2.84Å; G212-S214 VanDerWaalsContact C-N 3.27Å; S214-G216 PolarHBondContact O-N 2.9Å
215	G	98.4	Very high	89.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-14.2	-175.8	0	0	0	0	0	115.1	G60 D213 V233	G60-G215 VanDerWaalsContact CA-O 3.24Å; G60-G215 WeakPolarHBondContact CA-O 3.49Å; G60-G215 PolarHBondContact N-O 2.98Å; D213-G215 PolarHBondContact O-N 3.38Å; G215-V233 PolarHBondContact N-O 3.14Å
216	G	98.4	Very high	90.2	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.206	C	C	.	.			trans	-67.1	162	177.5	0	0	0	0	0	113.6	D213 S214 I232 V233	D213-G216 WeakPolarHBondContact O-CA 3.47Å; D213-G216 PolarHBondContact O-N 3.23Å; S214-G216 PolarHBondContact O-N 2.9Å; G216-I232 CarbonylContact O-C 3.58Å; G216-I232 WeakPolarHBondContact O-CA 3.14Å; G216-V233 WeakPolarHBondContact O-CG2 3.08Å; G216-V233 PolarHBondContact O-N 3.02Å
217	P	98.6	Very high	90.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	147.7	-176.2	29	-31.5	0	0	0	113.7	T61 T156 N219 V229 G231	T61-P217 WeakPolarHBondContact OG1-CB 3.46Å; T156-P217 WeakPolarHBondContact OG1-CG 3.08Å; P217-N219 WeakPolarHBondContact CB-OD1 3.38Å; P217-V229 HydrophobicContact CB-CB 4.31Å; P217-V229 HydrophobicContact CB-CG1 3.65Å; P217-V229 HydrophobicContact CB-CG2 3.61Å; P217-G231 CarbonylContact C-O 3.54Å; P217-G231 WeakPolarHBondContact CA-O 3.41Å
218	L	98.6	Very high	91.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	103.9	152.1	-175.9	66.7	0	0	0	108.3	C153 V199 A201 H230 G231 F250	C153-L218 HydrophobicContact CB-CD1 3.58Å; C153-L218 HydrophobicContact CB-CD2 4.43Å; C153-L218 HydrophobicContact CB-CG 3.85Å; V199-L218 HydrophobicContact CG1-CD2 3.93Å; V199-L218 HydrophobicContact CG2-CD2 4.4Å; A201-L218 HydrophobicContact CB-CD1 4.12Å; A201-L218 HydrophobicContact CB-CD2 4.31Å; L218-H230 PolarHBondContact O-N 3.14Å; L218-G231 PolarHBondContact N-O 2.89Å; L218-F250 HydrophobicContact CB-CD1 3.68Å; L218-F250 HydrophobicContact CB-CE1 3.69Å; L218-F250 HydrophobicContact CB-CG 4.27Å; L218-F250 HydrophobicContact CB-CZ 4.31Å; L218-F250 HydrophobicContact CD1-CE1 4.07Å; L218-F250 HydrophobicContact CD1-CE2 4.26Å; L218-F250 HydrophobicContact CD1-CZ 3.86Å; L218-F250 HydrophobicContact CD2-CD2 4.23Å; L218-F250 HydrophobicContact CD2-CE2 4.4Å; L218-F250 HydrophobicContact CD2-CG 4.33Å; L218-F250 HydrophobicContact CG-CE1 4.34Å; L218-F250 HydrophobicContact CG-CZ 4.49Å
219	N	98.5	Very high	92.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122	-176.1	-50.1	-80.3	0	0	0	110.1	W40 W42 C153 F154 T156 P217 W227 E228	W40-N219 HydrophobicContact CE3-CB 4.1Å; W40-N219 HydrophobicContact CH2-CB 3.88Å; W40-N219 HydrophobicContact CZ3-CB 3.46Å; W40-N219 VanDerWaalsContact CZ3-CB 3.46Å; W42-N219 PolarHBondContact NE1-OD1 2.72Å; C153-N219 CarbonylContact C-O 3.57Å; C153-N219 WeakPolarHBondContact CA-O 3.44Å; C153-N219 WeakPolarHBondContact CB-O 3.5Å; F154-N219 HydrophobicContact CB-CB 4.46Å; F154-N219 PolarHBondContact N-O 3.35Å; F154-N219 WeakPolarHBondContact O-CB 3.33Å; F154-N219 PolarHBondContact O-N 3.17Å; F154-N219 PolarHBondContact O-ND2 3.3Å; T156-N219 PolarHBondContact OG1-ND2 2.75Å; P217-N219 WeakPolarHBondContact CB-OD1 3.38Å; N219-W227 HydrophobicContact CB-CE3 4.05Å; N219-W227 HydrophobicContact CB-CZ3 4.44Å; N219-E228 WeakPolarHBondContact CA-O 3.42Å
220	C	97.7	Very high	93.3	Very high	4 Å²	4	30 Å²	30	3%	0.027	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143	176.5	-48.8	0	0	0	0	109.2	L147 C153 E228	L147-C220 VanDerWaalsContact CD1-SG 3.52Å; L147-C220 HydrophobicContact CD2-CB 4.08Å; C153-C220 HydrophobicContact CB-CB 4.15Å; C153-C220 WeakPolarHBondContact CB-SG 3.4Å; C153-C220 WeakPolarHBondContact SG-CB 3.45Å; C153-C220 CovalentContact SG-SG 2.04Å; C153-C220 PolarHBondContact SG-SG 3.48Å; C220-E228 PolarHBondContact N-O 2.86Å; C220-E228 PolarHBondContact O-N 3.23Å
221	Q	95.4	Very high	93.9	Very high	110 Å²	110	29.4 Å²	29.4	51%	0.514	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	124.3	179.5	-159.8	171.8	4	0	0	109.9	G225 S226 W227	Q221-G225 WeakPolarHBondContact CG-O 3.18Å; Q221-G225 PolarHBondContact NE2-O 2.93Å; Q221-S226 CarbonylContact C-O 3.55Å; Q221-S226 WeakPolarHBondContact CA-O 3.31Å; Q221-W227 HydrophobicContact CB-CD2 4.5Å; Q221-W227 HydrophobicContact CB-CE3 4.21Å; Q221-W227 HydrophobicContact CB-CH2 4.34Å; Q221-W227 HydrophobicContact CB-CZ3 4.12Å
222	G	90.9	Very high	95.1	Very high	13 Å²	13	24.7 Å²	24.7	13%	0.134	15%	0.153	C	C	.	.			trans	-71.4	168.9	173.3	0	0	0	0	0	112.2	D224 G225 S226	G222-D224 PolarHBondContact O-N 2.8Å; G222-G225 PolarHBondContact O-N 2.02Å; G222-S226 PolarHBondContact N-O 3.11Å
223	S	87.7	Confident	96.1	Very high	140 Å²	140	24.3 Å²	24.3	98%	0.979	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.2	-176.3	61.3	0	0	0	0	114.6	G225	S223-G225 VanDerWaalsContact C-N 3.31Å
224	D	90.9	Very high	96.5	Very high	122 Å²	122	24 Å²	24	65%	0.652	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	0.7	176.8	68.1	-9.7	0	0	0	113	G222 S226	G222-D224 PolarHBondContact O-N 2.8Å; D224-S226 VanDerWaalsContact C-N 3.35Å; D224-S226 VanDerWaalsContact OD1-CB 3.3Å; D224-S226 WeakPolarHBondContact OD1-CB 3.15Å; D224-S226 PolarHBondContact OD1-N 2.84Å; D224-S226 PolarHBondContact OD1-OG 2.96Å; D224-S226 PolarHBondContact OD2-OG 3.06Å
225	G	91.7	Very high	96.5	Very high	27 Å²	27	24.2 Å²	24.2	28%	0.278	15%	0.145	S	C	.	.	S	Bend	trans	88.6	-6.6	-178.7	0	0	0	0	0	114.6	Q221 G222 S223	Q221-G225 WeakPolarHBondContact CG-O 3.18Å; Q221-G225 PolarHBondContact NE2-O 2.93Å; G222-G225 PolarHBondContact O-N 2.02Å; S223-G225 VanDerWaalsContact C-N 3.31Å
226	S	95.3	Very high	96.3	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.028	16%	0.161	C	C	.	.			trans	-71.8	155.4	174	71.3	0	0	0	0	111.4	Q221 G222 D224	Q221-S226 CarbonylContact C-O 3.55Å; Q221-S226 WeakPolarHBondContact CA-O 3.31Å; G222-S226 PolarHBondContact N-O 3.11Å; D224-S226 VanDerWaalsContact C-N 3.35Å; D224-S226 VanDerWaalsContact OD1-CB 3.3Å; D224-S226 WeakPolarHBondContact OD1-CB 3.15Å; D224-S226 PolarHBondContact OD1-N 2.84Å; D224-S226 PolarHBondContact OD1-OG 2.96Å; D224-S226 PolarHBondContact OD2-OG 3.06Å
227	W	98.1	Very high	95.8	Very high	8 Å²	8	26.8 Å²	26.8	3%	0.03	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.1	175.1	-68.5	93.1	0	0	0	111.3	G18 P24 V26 W40 W42 C139 F154 N219 Q221	G18-W227 WeakPolarHBondContact CA-O 3.2Å; G18-W227 WeakPolarHBondContact O-CB 3.44Å; G18-W227 PolarHBondContact O-N 3.4Å; P24-W227 HydrophobicContact CG-CZ2 3.63Å; V26-W227 HydrophobicContact CG1-CH2 3.96Å; V26-W227 HydrophobicContact CG1-CZ2 3.96Å; W40-W227 AromaticContact CH2-CD2 3.82Å; W40-W227 HydrophobicContact CH2-CD2 3.82Å; W40-W227 AromaticContact CH2-CE2 3.9Å; W40-W227 AromaticContact CH2-CE3 3.64Å; W40-W227 HydrophobicContact CH2-CE3 3.64Å; W40-W227 AromaticContact CH2-CH2 3.65Å; W40-W227 HydrophobicContact CH2-CH2 3.65Å; W40-W227 AromaticContact CH2-CZ2 3.83Å; W40-W227 HydrophobicContact CH2-CZ2 3.83Å; W40-W227 AromaticContact CH2-CZ3 3.55Å; W40-W227 HydrophobicContact CH2-CZ3 3.55Å; W40-W227 AromaticContact CZ3-CD2 3.59Å; W40-W227 HydrophobicContact CZ3-CD2 3.59Å; W40-W227 AromaticContact CZ3-CE3 3.61Å; W40-W227 HydrophobicContact CZ3-CE3 3.61Å; W40-W227 HydrophobicContact CZ3-CG 4.04Å; W40-W227 HydrophobicContact CZ3-CH2 4.41Å; W40-W227 HydrophobicContact CZ3-CZ2 4.4Å; W40-W227 HydrophobicContact CZ3-CZ3 4.04Å; W42-W227 HydrophobicContact CH2-CB 3.37Å; W42-W227 AromaticContact CH2-CD1 3.97Å; W42-W227 AromaticContact CH2-CG 3.79Å; W42-W227 HydrophobicContact CH2-CG 3.79Å; W42-W227 HydrophobicContact CZ2-CB 3.49Å; W42-W227 VanDerWaalsContact CZ2-CB 3.49Å; W42-W227 HydrophobicContact CZ2-CG 4.04Å; W42-W227 HydrophobicContact CZ3-CB 4.46Å; C139-W227 WeakPolarHBondContact CB-O 3.44Å; C139-W227 PolarHBondContact N-O 2.86Å; C139-W227 VanDerWaalsContact N-O 3.17Å; F154-W227 AromaticContact CD2-CH2 3.85Å; F154-W227 HydrophobicContact CD2-CH2 3.85Å; F154-W227 AromaticContact CD2-CZ3 3.89Å; F154-W227 HydrophobicContact CD2-CZ3 3.89Å; F154-W227 AromaticContact CE2-CH2 3.97Å; F154-W227 HydrophobicContact CE2-CH2 3.97Å; F154-W227 HydrophobicContact CE2-CZ3 4.4Å; N219-W227 HydrophobicContact CB-CE3 4.05Å; N219-W227 HydrophobicContact CB-CZ3 4.44Å; Q221-W227 HydrophobicContact CB-CD2 4.5Å; Q221-W227 HydrophobicContact CB-CE3 4.21Å; Q221-W227 HydrophobicContact CB-CH2 4.34Å; Q221-W227 HydrophobicContact CB-CZ3 4.12Å
228	E	98.4	Very high	95.2	Very high	36 Å²	36	31 Å²	31	17%	0.168	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.6	177.7	-66.5	172.2	-178.3	0	0	110.5	C139 N219 C220 H230	C139-E228 HydrophobicContact CB-CG 3.83Å; C139-E228 CarbonylContact O-C 3.58Å; C139-E228 VanDerWaalsContact O-CA 3.27Å; C139-E228 WeakPolarHBondContact O-CA 3.41Å; N219-E228 WeakPolarHBondContact CA-O 3.42Å; C220-E228 PolarHBondContact N-O 2.86Å; C220-E228 PolarHBondContact O-N 3.23Å; E228-H230 WeakPolarHBondContact CB-NE2 3.33Å; E228-H230 IonicContact OE2-CD2 3.51Å; E228-H230 IonicContact OE2-CE1 3.36Å; E228-H230 PolarHBondContact OE2-CE1 2.71Å; E228-H230 IonicContact OE2-NE2 2.74Å; E228-H230 PolarHBondContact OE2-NE2 3.24Å
229	V	98.5	Very high	94.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	103.1	172.8	176.9	0	0	0	0	109.9	T61 A138 C139 P141 P217 G231 V253	T61-V229 HydrophobicContact CG2-CB 4.24Å; T61-V229 HydrophobicContact CG2-CG1 4.44Å; T61-V229 HydrophobicContact CG2-CG2 3.62Å; A138-V229 HydrophobicContact CB-CB 4.47Å; A138-V229 HydrophobicContact CB-CG2 3.54Å; C139-V229 PolarHBondContact O-N 2.59Å; P141-V229 VanDerWaalsContact CD-O 3.23Å; P141-V229 WeakPolarHBondContact CD-O 3.4Å; P217-V229 HydrophobicContact CB-CB 4.31Å; P217-V229 HydrophobicContact CB-CG1 3.65Å; P217-V229 HydrophobicContact CB-CG2 3.61Å; V229-G231 WeakPolarHBondContact CG1-O 3.25Å; V229-V253 HydrophobicContact CG1-CG2 4.34Å; V229-V253 WeakPolarHBondContact O-CB 3.27Å; V229-V253 WeakPolarHBondContact O-CG2 3Å
230	H	98.7	Very high	94.1	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.023	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-17.3	-177.6	-76.9	-102.8	0	0	0	113.3	P141 F145 L147 L218 E228 V253	P141-H230 VanDerWaalsContact CB-CE1 3.48Å; P141-H230 WeakPolarHBondContact CB-CE1 3.44Å; F145-H230 AromaticContact CD1-CE1 3.35Å; F145-H230 WeakPolarHBondContact CD1-CE1 3.34Å; F145-H230 AromaticContact CD1-ND1 3.72Å; F145-H230 AromaticContact CE1-CE1 3.53Å; L147-H230 HydrophobicContact CD1-CB 3.43Å; L147-H230 VanDerWaalsContact CD1-CB 3.43Å; L147-H230 HydrophobicContact CG-CB 4.25Å; L147-H230 WeakPolarHBondContact CG-ND1 3.47Å; L218-H230 PolarHBondContact O-N 3.14Å; E228-H230 WeakPolarHBondContact CB-NE2 3.33Å; E228-H230 IonicContact OE2-CD2 3.51Å; E228-H230 IonicContact OE2-CE1 3.36Å; E228-H230 PolarHBondContact OE2-CE1 2.71Å; E228-H230 IonicContact OE2-NE2 2.74Å; E228-H230 PolarHBondContact OE2-NE2 3.24Å; H230-V253 PolarHBondContact O-N 3.03Å
231	G	98.7	Very high	93.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	151.9	-175.1	0	0	0	0	0	113.2	P217 L218 V229 T251	P217-G231 CarbonylContact C-O 3.54Å; P217-G231 WeakPolarHBondContact CA-O 3.41Å; L218-G231 PolarHBondContact N-O 2.89Å; V229-G231 WeakPolarHBondContact CG1-O 3.25Å; G231-T251 CarbonylContact C-O 3.58Å; G231-T251 VanDerWaalsContact CA-O 3.25Å; G231-T251 WeakPolarHBondContact CA-O 3.3Å
232	I	98.9	Very high	93	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.9	169.1	-54.5	166.6	0	0	0	107.2	L69 A71 I120 G216 S234 F250 T251 V253	L69-I232 HydrophobicContact CD1-CD1 4.02Å; L69-I232 HydrophobicContact CD2-CD1 3.71Å; L69-I232 HydrophobicContact CD2-CG1 3.95Å; L69-I232 HydrophobicContact CG-CD1 3.58Å; L69-I232 HydrophobicContact CG-CG1 4.12Å; A71-I232 HydrophobicContact CB-CG2 3.98Å; I120-I232 HydrophobicContact CB-CD1 4.17Å; I120-I232 HydrophobicContact CD1-CD1 3.86Å; I120-I232 HydrophobicContact CG1-CD1 3.57Å; G216-I232 CarbonylContact O-C 3.58Å; G216-I232 WeakPolarHBondContact O-CA 3.14Å; I232-S234 PolarHBondContact O-N 3.45Å; I232-S234 VanDerWaalsContact O-N 3.1Å; I232-F250 CarbonylContact O-C 3.52Å; I232-F250 WeakPolarHBondContact O-CA 3.49Å; I232-F250 WeakPolarHBondContact O-CB 3.42Å; I232-T251 HydrophobicContact CD1-CG2 4.48Å; I232-T251 PolarHBondContact N-O 3.37Å; I232-T251 PolarHBondContact O-N 3.21Å; I232-V253 HydrophobicContact CD1-CG2 4.22Å; I232-V253 HydrophobicContact CG1-CG2 3.8Å
233	V	98.7	Very high	92.9	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.036	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	119.8	-179.4	177.5	0	0	0	0	109.3	V155 D213 G215 G216 T248 F250	V155-V233 HydrophobicContact CG2-CG2 3.76Å; D213-V233 HydrophobicContact CB-CG1 4.31Å; D213-V233 HydrophobicContact CB-CG2 4.4Å; D213-V233 VanDerWaalsContact O-CB 3.3Å; D213-V233 WeakPolarHBondContact O-CB 3.38Å; D213-V233 WeakPolarHBondContact O-CG2 3.13Å; G215-V233 PolarHBondContact N-O 3.14Å; G216-V233 WeakPolarHBondContact O-CG2 3.08Å; G216-V233 PolarHBondContact O-N 3.02Å; V233-T248 HydrophobicContact CG1-CG2 4.17Å; V233-F250 HydrophobicContact CB-CD1 4.25Å; V233-F250 HydrophobicContact CB-CE1 4.23Å; V233-F250 HydrophobicContact CG2-CD1 3.77Å; V233-F250 HydrophobicContact CG2-CE1 3.33Å; V233-F250 HydrophobicContact CG2-CZ 4.24Å
234	S	98.2	Very high	93.2	Very high	8 Å²	8	38.3 Å²	38.3	6%	0.056	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-62.2	-175.8	177.8	0	0	0	0	111.2	H73 I116 D119 I232 V249	H73-S234 PolarHBondContact CE1-O 3.31Å; I116-S234 VanDerWaalsContact CG2-OG 3.3Å; I116-S234 WeakPolarHBondContact CG2-OG 3.32Å; D119-S234 WeakPolarHBondContact CB-OG 3.3Å; D119-S234 WeakPolarHBondContact OD2-CB 3.29Å; D119-S234 PolarHBondContact OD2-OG 2.85Å; I232-S234 PolarHBondContact O-N 3.45Å; I232-S234 VanDerWaalsContact O-N 3.1Å; S234-V249 WeakPolarHBondContact CB-O 3.37Å; S234-V249 PolarHBondContact N-O 3.28Å
235	F	96.1	Very high	93.4	Very high	25 Å²	25	36.3 Å²	36.3	11%	0.11	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	166.7	-178.8	68.6	-89.3	0	0	0	113.7	I116 W190 Q193 V194 M198 V249	I116-F235 HydrophobicContact CB-CD1 4.28Å; I116-F235 HydrophobicContact CD1-CB 4.07Å; I116-F235 HydrophobicContact CD1-CD1 4.18Å; I116-F235 HydrophobicContact CD1-CG 4.1Å; I116-F235 HydrophobicContact CG2-CD1 3.66Å; I116-F235 HydrophobicContact CG2-CE1 4.23Å; I116-F235 HydrophobicContact CG2-CG 4.49Å; W190-F235 HydrophobicContact CD2-CE2 4.21Å; W190-F235 HydrophobicContact CE3-CE2 4.13Å; W190-F235 HydrophobicContact CH2-CD2 4.23Å; W190-F235 HydrophobicContact CH2-CE2 4.19Å; W190-F235 HydrophobicContact CZ2-CD2 4.42Å; W190-F235 HydrophobicContact CZ2-CE2 4.27Å; W190-F235 HydrophobicContact CZ3-CD2 4.5Å; W190-F235 HydrophobicContact CZ3-CE2 4.12Å; Q193-F235 HydrophobicContact CG-CE2 3.96Å; Q193-F235 HydrophobicContact CG-CZ 3.89Å; V194-F235 HydrophobicContact CG1-CZ 4.28Å; M198-F235 HydrophobicContact CE-CE1 4.21Å; M198-F235 HydrophobicContact SD-CE1 4.17Å; F235-V249 HydrophobicContact CD1-CB 3.91Å; F235-V249 HydrophobicContact CD1-CG1 4.07Å; F235-V249 HydrophobicContact CD2-CB 4.11Å; F235-V249 HydrophobicContact CD2-CG2 4.14Å; F235-V249 HydrophobicContact CE1-CB 3.61Å; F235-V249 HydrophobicContact CE1-CG1 3.4Å; F235-V249 HydrophobicContact CE1-CG2 4.18Å; F235-V249 HydrophobicContact CE2-CB 3.8Å; F235-V249 HydrophobicContact CE2-CG1 4.31Å; F235-V249 HydrophobicContact CE2-CG2 3.53Å; F235-V249 HydrophobicContact CG-CB 4.17Å; F235-V249 HydrophobicContact CZ-CB 3.54Å; F235-V249 HydrophobicContact CZ-CG1 3.54Å; F235-V249 HydrophobicContact CZ-CG2 3.56Å; F235-V249 PolarHBondContact N-O 3.03Å; F235-V249 VanDerWaalsContact N-O 3.11Å; F235-V249 PolarHBondContact O-N 2.64Å
236	G	93.6	Very high	93.6	Very high	34 Å²	34	37.1 Å²	37.1	35%	0.351	22%	0.216	S	C	.	.			trans	-146.5	-168.5	173.4	0	0	0	0	0	110.5	G238	G236-G238 PolarHBondContact O-N 3.35Å
237	S	89.9	Confident	93.7	Very high	20 Å²	20	37 Å²	37	14%	0.14	22%	0.215	C	C	.	.			trans	-69.9	131.5	176.6	173.8	0	0	0	0	111	I239 S240	S237-I239 PolarHBondContact O-N 2.92Å; S237-I239 PolarHBondContact OG-N 3.13Å; S237-S240 WeakPolarHBondContact CB-O 3.42Å
238	G	85.1	Confident	93.6	Very high	88 Å²	88	36.7 Å²	36.7	91%	0.907	21%	0.214	S	C	*	.	S	Bend	trans	-70.4	-11.2	173.1	0	0	0	0	0	113.9	G236	G236-G238 PolarHBondContact O-N 3.35Å
239	I	85.6	Confident	93.6	Very high	124 Å²	124	35 Å²	35	64%	0.636	21%	0.206	S	C	*	.	S	Bend	trans	-82.5	-49.1	178.3	-59.3	173.9	0	0	0	110.3	S237 Y243	S237-I239 PolarHBondContact O-N 2.92Å; S237-I239 PolarHBondContact OG-N 3.13Å; I239-Y243 HydrophobicContact CB-CD2 4.26Å; I239-Y243 HydrophobicContact CD1-CE2 4.21Å; I239-Y243 HydrophobicContact CG2-CD2 4.17Å; I239-Y243 HydrophobicContact CG2-CE2 4.25Å
240	S	87.3	Confident	93.6	Very high	27 Å²	27	35 Å²	35	19%	0.189	21%	0.206	C	C	.	.			trans	-157.9	149.7	177.4	62.2	0	0	0	0	110.4	T163 S237 N242 Y243	T163-S240 VanDerWaalsContact OG1-CA 3.25Å; T163-S240 WeakPolarHBondContact OG1-CA 3.17Å; T163-S240 WeakPolarHBondContact OG1-CB 3.12Å; S237-S240 WeakPolarHBondContact CB-O 3.42Å; S240-N242 VanDerWaalsContact C-N 3.34Å; S240-N242 PolarHBondContact O-N 3.16Å; S240-Y243 WeakPolarHBondContact OG-CB 3.23Å
241	C	85.6	Confident	93.6	Very high	12 Å²	12	34.9 Å²	34.9	8%	0.081	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-43.3	-178.1	-66.3	0	0	0	0	111.9	T163 S208 C210 Y243	T163-C241 PolarHBondContact OG1-N 2.88Å; S208-C241 WeakPolarHBondContact CB-O 3.43Å; S208-C241 PolarHBondContact OG-O 3.45Å; S208-C241 VanDerWaalsContact OG-O 3.05Å; C210-C241 WeakPolarHBondContact CA-SG 3.32Å; C210-C241 HydrophobicContact CB-CB 3.6Å; C210-C241 WeakPolarHBondContact CB-SG 2.97Å; C210-C241 WeakPolarHBondContact SG-CB 3.49Å; C210-C241 CovalentContact SG-SG 2.03Å; C210-C241 PolarHBondContact SG-SG 2.82Å; C241-Y243 PolarHBondContact O-N 3.05Å
242	N	84.7	Confident	93.6	Very high	62 Å²	62	35.6 Å²	35.6	33%	0.332	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	47.6	-177.9	61.8	-34.2	0	0	0	112.6	G205 S208 S240	G205-N242 CarbonylContact C-O 3.36Å; G205-N242 WeakPolarHBondContact CA-O 3.42Å; G205-N242 PolarHBondContact O-ND2 3.17Å; S208-N242 WeakPolarHBondContact OG-CA 3.47Å; S208-N242 WeakPolarHBondContact OG-CB 3.3Å; S208-N242 PolarHBondContact OG-N 2.86Å; S240-N242 VanDerWaalsContact C-N 3.34Å; S240-N242 PolarHBondContact O-N 3.16Å
243	Y	89.6	Confident	93.6	Very high	100 Å²	100	35.6 Å²	35.6	39%	0.392	21%	0.209	S	C	.	.			trans	-75.3	128.2	178.4	-165.9	-79.8	0	0	0	111.1	I239 S240 C241 K245 K246	I239-Y243 HydrophobicContact CB-CD2 4.26Å; I239-Y243 HydrophobicContact CD1-CE2 4.21Å; I239-Y243 HydrophobicContact CG2-CD2 4.17Å; I239-Y243 HydrophobicContact CG2-CE2 4.25Å; S240-Y243 WeakPolarHBondContact OG-CB 3.23Å; C241-Y243 PolarHBondContact O-N 3.05Å; Y243-K245 PolarHBondContact O-N 3.21Å; Y243-K246 HydrophobicContact CD1-CB 3.99Å; Y243-K246 HydrophobicContact CD1-CG 3.47Å; Y243-K246 VanDerWaalsContact CD1-CG 3.47Å; Y243-K246 HydrophobicContact CE1-CG 4.16Å; Y243-K246 HydrophobicContact CG-CB 4.45Å; Y243-K246 HydrophobicContact CG-CG 4.27Å; Y243-K246 CarbonylContact O-C 3.47Å; Y243-K246 WeakPolarHBondContact O-CA 3.29Å; Y243-K246 WeakPolarHBondContact O-CB 3.37Å; Y243-K246 PolarHBondContact O-N 3.1Å
244	N	93.8	Very high	93.6	Very high	96 Å²	96	35.3 Å²	35.3	51%	0.513	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	136.1	-178.2	-174.9	12.9	0	0	0	111.7	G203 K246	G203-N244 PolarHBondContact O-OD1 3.24Å; N244-K246 PolarHBondContact O-N 2.71Å
245	K	94.7	Very high	93.6	Very high	81 Å²	81	37 Å²	37	35%	0.352	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	17.8	-173	-57.8	-177.1	171	-175.2	0	114.8	D188 W189 G203 Y243	D188-K245 IonicContact OD2-NZ 2.65Å; D188-K245 PolarHBondContact OD2-NZ 2.78Å; W189-K245 WeakPolarHBondContact CA-O 3.44Å; W189-K245 HydrophobicContact CD2-CB 4.03Å; W189-K245 HydrophobicContact CD2-CG 4.45Å; W189-K245 HydrophobicContact CE3-CB 4.39Å; W189-K245 HydrophobicContact CG-CB 4.25Å; W189-K245 HydrophobicContact CZ2-CG 4.34Å; G203-K245 PolarHBondContact O-N 2.8Å; Y243-K245 PolarHBondContact O-N 3.21Å
246	K	96.3	Very high	93.8	Very high	43 Å²	43	36.4 Å²	36.4	19%	0.187	22%	0.217	C	C	.	.			trans	-124.9	67.8	171	-63.4	-69.1	179.4	-86	0	108.1	D188 W189 W190 Y243 N244	D188-K246 PolarHBondContact O-NZ 3.4Å; W189-K246 VanDerWaalsContact C-NZ 3.33Å; W189-K246 WeakPolarHBondContact O-CE 3.33Å; W189-K246 PolarHBondContact O-NZ 3.03Å; W190-K246 HydrophobicContact CD2-CD 3.73Å; W190-K246 HydrophobicContact CE3-CD 3.78Å; W190-K246 HydrophobicContact CG-CD 4.41Å; W190-K246 HydrophobicContact CH2-CB 4.25Å; W190-K246 HydrophobicContact CH2-CD 3.93Å; W190-K246 HydrophobicContact CZ2-CB 3.68Å; W190-K246 HydrophobicContact CZ2-CD 3.88Å; W190-K246 HydrophobicContact CZ2-CG 4.32Å; W190-K246 HydrophobicContact CZ3-CD 3.88Å; Y243-K246 HydrophobicContact CD1-CB 3.99Å; Y243-K246 HydrophobicContact CD1-CG 3.47Å; Y243-K246 VanDerWaalsContact CD1-CG 3.47Å; Y243-K246 HydrophobicContact CE1-CG 4.16Å; Y243-K246 HydrophobicContact CG-CB 4.45Å; Y243-K246 HydrophobicContact CG-CG 4.27Å; Y243-K246 CarbonylContact O-C 3.47Å; Y243-K246 WeakPolarHBondContact O-CA 3.29Å; Y243-K246 WeakPolarHBondContact O-CB 3.37Å; Y243-K246 PolarHBondContact O-N 3.1Å; N244-K246 PolarHBondContact O-N 2.71Å
247	P	96.7	Very high	94	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-55.4	157.6	177.3	26.1	-36.2	0	0	0	110.7	V179 W189 W190 C200 A201 V249	V179-P247 HydrophobicContact CG2-CB 4.31Å; V179-P247 HydrophobicContact CG2-CG 4.42Å; W189-P247 HydrophobicContact CE3-CG 4.03Å; W189-P247 HydrophobicContact CZ3-CG 3.98Å; W190-P247 PolarHBondContact NE1-O 2.86Å; C200-P247 HydrophobicContact CB-CB 4.2Å; C200-P247 HydrophobicContact CB-CG 3.8Å; A201-P247 VanDerWaalsContact O-CB 3.25Å; A201-P247 WeakPolarHBondContact O-CB 3.49Å; P247-V249 PolarHBondContact O-N 3.47Å
248	T	96.8	Very high	94.4	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	133.6	168.4	-55.2	0	0	0	0	108.5	C200 A201 G209 V233 F250	C200-T248 WeakPolarHBondContact CA-O 3.42Å; A201-T248 PolarHBondContact N-O 2.97Å; A201-T248 PolarHBondContact O-N 3.49Å; A201-T248 VanDerWaalsContact O-N 3.13Å; G209-T248 PolarHBondContact N-OG1 3.47Å; V233-T248 HydrophobicContact CG1-CG2 4.17Å; T248-F250 HydrophobicContact CG2-CD2 4.24Å; T248-F250 HydrophobicContact CG2-CE1 4.31Å; T248-F250 HydrophobicContact CG2-CE2 3.6Å; T248-F250 HydrophobicContact CG2-CZ 3.63Å; T248-F250 WeakPolarHBondContact O-CD2 2.96Å; T248-F250 WeakPolarHBondContact O-CE2 3.19Å
249	V	98.4	Very high	95	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.8	177.9	-176.1	0	0	0	0	109	W190 V194 M198 S234 F235 P247	W190-V249 HydrophobicContact CD2-CG2 4.41Å; W190-V249 HydrophobicContact CG-CG2 4.31Å; W190-V249 HydrophobicContact CZ2-CG2 4.5Å; V194-V249 HydrophobicContact CG1-CG1 4.12Å; V194-V249 HydrophobicContact CG1-CG2 3.85Å; M198-V249 HydrophobicContact CB-CG1 3.9Å; M198-V249 HydrophobicContact CG-CG1 4.17Å; M198-V249 HydrophobicContact SD-CG1 3.96Å; S234-V249 WeakPolarHBondContact CB-O 3.37Å; S234-V249 PolarHBondContact N-O 3.28Å; F235-V249 HydrophobicContact CD1-CB 3.91Å; F235-V249 HydrophobicContact CD1-CG1 4.07Å; F235-V249 HydrophobicContact CD2-CB 4.11Å; F235-V249 HydrophobicContact CD2-CG2 4.14Å; F235-V249 HydrophobicContact CE1-CB 3.61Å; F235-V249 HydrophobicContact CE1-CG1 3.4Å; F235-V249 HydrophobicContact CE1-CG2 4.18Å; F235-V249 HydrophobicContact CE2-CB 3.8Å; F235-V249 HydrophobicContact CE2-CG1 4.31Å; F235-V249 HydrophobicContact CE2-CG2 3.53Å; F235-V249 HydrophobicContact CG-CB 4.17Å; F235-V249 HydrophobicContact CZ-CB 3.54Å; F235-V249 HydrophobicContact CZ-CG1 3.54Å; F235-V249 HydrophobicContact CZ-CG2 3.56Å; F235-V249 PolarHBondContact N-O 3.03Å; F235-V249 VanDerWaalsContact N-O 3.11Å; F235-V249 PolarHBondContact O-N 2.64Å; P247-V249 PolarHBondContact O-N 3.47Å
250	F	98.8	Very high	95.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.2	-178.6	-55.2	-108	0	0	0	109.4	V155 L176 M198 V199 A201 L218 I232 V233 T248 Q252	V155-F250 HydrophobicContact CB-CZ 4.4Å; V155-F250 HydrophobicContact CG2-CE1 4.18Å; V155-F250 HydrophobicContact CG2-CZ 4.33Å; L176-F250 HydrophobicContact CD1-CE2 4.41Å; L176-F250 HydrophobicContact CD1-CZ 3.99Å; M198-F250 CarbonylContact C-O 3.57Å; M198-F250 WeakPolarHBondContact CA-O 3.31Å; M198-F250 WeakPolarHBondContact CB-O 3.08Å; V199-F250 HydrophobicContact CG1-CB 3.67Å; V199-F250 HydrophobicContact CG1-CG 4.38Å; V199-F250 PolarHBondContact N-O 3.1Å; V199-F250 PolarHBondContact O-N 3.36Å; A201-F250 HydrophobicContact CB-CE2 3.89Å; L218-F250 HydrophobicContact CB-CD1 3.68Å; L218-F250 HydrophobicContact CB-CE1 3.69Å; L218-F250 HydrophobicContact CB-CG 4.27Å; L218-F250 HydrophobicContact CB-CZ 4.31Å; L218-F250 HydrophobicContact CD1-CE1 4.07Å; L218-F250 HydrophobicContact CD1-CE2 4.26Å; L218-F250 HydrophobicContact CD1-CZ 3.86Å; L218-F250 HydrophobicContact CD2-CD2 4.23Å; L218-F250 HydrophobicContact CD2-CE2 4.4Å; L218-F250 HydrophobicContact CD2-CG 4.33Å; L218-F250 HydrophobicContact CG-CE1 4.34Å; L218-F250 HydrophobicContact CG-CZ 4.49Å; I232-F250 CarbonylContact O-C 3.52Å; I232-F250 WeakPolarHBondContact O-CA 3.49Å; I232-F250 WeakPolarHBondContact O-CB 3.42Å; V233-F250 HydrophobicContact CB-CD1 4.25Å; V233-F250 HydrophobicContact CB-CE1 4.23Å; V233-F250 HydrophobicContact CG2-CD1 3.77Å; V233-F250 HydrophobicContact CG2-CE1 3.33Å; V233-F250 HydrophobicContact CG2-CZ 4.24Å; T248-F250 HydrophobicContact CG2-CD2 4.24Å; T248-F250 HydrophobicContact CG2-CE1 4.31Å; T248-F250 HydrophobicContact CG2-CE2 3.6Å; T248-F250 HydrophobicContact CG2-CZ 3.63Å; T248-F250 WeakPolarHBondContact O-CD2 2.96Å; T248-F250 WeakPolarHBondContact O-CE2 3.19Å; F250-Q252 PolarHBondContact O-N 2.95Å
251	T	98.8	Very high	96.2	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	126.3	162.5	-60.5	0	0	0	0	108	D119 I120 G231 I232 V253 F256	D119-T251 WeakPolarHBondContact CB-OG1 3.16Å; D119-T251 PolarHBondContact O-OG1 2.9Å; I120-T251 HydrophobicContact CB-CG2 4.13Å; G231-T251 CarbonylContact C-O 3.58Å; G231-T251 VanDerWaalsContact CA-O 3.25Å; G231-T251 WeakPolarHBondContact CA-O 3.3Å; I232-T251 HydrophobicContact CD1-CG2 4.48Å; I232-T251 PolarHBondContact N-O 3.37Å; I232-T251 PolarHBondContact O-N 3.21Å; T251-V253 PolarHBondContact O-N 2.81Å; T251-F256 HydrophobicContact CG2-CD2 3.7Å; T251-F256 HydrophobicContact CG2-CE2 3.39Å; T251-F256 HydrophobicContact CG2-CZ 4.11Å
252	Q	98.8	Very high	96.8	Very high	14 Å²	14	36.5 Å²	36.5	7%	0.065	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	108.2	-179.4	-176.3	-176.9	-39.6	0	0	110.7	F145 Q196 T197 V199 F250 S254 S255 F256	F145-Q252 PolarHBondContact O-NE2 2.8Å; Q196-Q252 PolarHBondContact O-OE1 2.7Å; T197-Q252 WeakPolarHBondContact O-CB 3.36Å; T197-Q252 PolarHBondContact O-N 3.43Å; V199-Q252 HydrophobicContact CB-CB 4.47Å; F250-Q252 PolarHBondContact O-N 2.95Å; Q252-S254 VanDerWaalsContact C-N 3.31Å; Q252-S254 WeakPolarHBondContact CG-OG 3.46Å; Q252-S254 PolarHBondContact NE2-OG 2.92Å; Q252-S254 PolarHBondContact O-N 2.87Å; Q252-S255 PolarHBondContact NE2-OG 2.75Å; Q252-S255 WeakPolarHBondContact O-CB 3.22Å; Q252-S255 PolarHBondContact O-N 3.46Å; Q252-F256 VanDerWaalsContact O-CD2 3.31Å; Q252-F256 WeakPolarHBondContact O-CD2 3.49Å
253	V	98.8	Very high	97.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-60.2	-39.5	-171.4	174.1	0	0	0	0	112.6	L69 L140 P141 V229 H230 I232 T251 S255 F256 L257 I260	L69-V253 HydrophobicContact CD2-CG1 4.15Å; L69-V253 HydrophobicContact CD2-CG2 3.92Å; L140-V253 HydrophobicContact CD2-CG1 3.89Å; P141-V253 HydrophobicContact CG-CB 4.31Å; P141-V253 HydrophobicContact CG-CG1 4.19Å; V229-V253 HydrophobicContact CG1-CG2 4.34Å; V229-V253 WeakPolarHBondContact O-CB 3.27Å; V229-V253 WeakPolarHBondContact O-CG2 3Å; H230-V253 PolarHBondContact O-N 3.03Å; I232-V253 HydrophobicContact CD1-CG2 4.22Å; I232-V253 HydrophobicContact CG1-CG2 3.8Å; T251-V253 PolarHBondContact O-N 2.81Å; V253-S255 PolarHBondContact O-N 3.22Å; V253-S255 VanDerWaalsContact O-N 3.11Å; V253-F256 PolarHBondContact O-N 3.4Å; V253-L257 HydrophobicContact CG1-CD2 4.17Å; V253-I260 HydrophobicContact CG1-CD1 4.18Å
254	S	98.5	Very high	97.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-61	-20.5	179	58.1	0	0	0	0	113.6	A142 G144 F145 Q252 F256	A142-S254 VanDerWaalsContact O-CB 3.27Å; A142-S254 WeakPolarHBondContact O-CB 3.2Å; G144-S254 PolarHBondContact N-O 3.24Å; F145-S254 WeakPolarHBondContact O-CB 3.1Å; F145-S254 PolarHBondContact O-OG 2.97Å; Q252-S254 VanDerWaalsContact C-N 3.31Å; Q252-S254 WeakPolarHBondContact CG-OG 3.46Å; Q252-S254 PolarHBondContact NE2-OG 2.92Å; Q252-S254 PolarHBondContact O-N 2.87Å; S254-F256 VanDerWaalsContact C-N 3.3Å
255	S	98.6	Very high	97.9	Very high	44 Å²	44	34.9 Å²	34.9	31%	0.308	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-83.1	-4.1	176.1	-54.4	0	0	0	0	113.6	Q252 V253	Q252-S255 PolarHBondContact NE2-OG 2.75Å; Q252-S255 WeakPolarHBondContact O-CB 3.22Å; Q252-S255 PolarHBondContact O-N 3.46Å; V253-S255 PolarHBondContact O-N 3.22Å; V253-S255 VanDerWaalsContact O-N 3.11Å
256	F	98.7	Very high	98	Very high	12 Å²	12	34.7 Å²	34.7	5%	0.053	20%	0.204	C	C	.	.	S	Bend	trans	-126.6	10.6	-175.4	-66.6	-89.7	0	0	0	113.4	H108 N118 I120 T251 Q252 V253 S254 D258 W259 I260	H108-F256 AromaticContact CD2-CD1 3.71Å; H108-F256 AromaticContact CD2-CE1 3.81Å; H108-F256 AromaticContact NE2-CD1 3.7Å; H108-F256 AromaticContact NE2-CE1 3.65Å; N118-F256 HydrophobicContact CB-CE1 3.99Å; N118-F256 HydrophobicContact CB-CZ 4.22Å; N118-F256 WeakPolarHBondContact OD1-CE1 3.29Å; N118-F256 WeakPolarHBondContact OD1-CZ 3.46Å; I120-F256 HydrophobicContact CD1-CB 3.61Å; I120-F256 HydrophobicContact CD1-CD1 4.37Å; I120-F256 HydrophobicContact CD1-CD2 4.33Å; I120-F256 HydrophobicContact CD1-CG 3.87Å; I120-F256 HydrophobicContact CG2-CD1 3.87Å; I120-F256 HydrophobicContact CG2-CE1 4.04Å; I120-F256 HydrophobicContact CG2-CG 4.3Å; T251-F256 HydrophobicContact CG2-CD2 3.7Å; T251-F256 HydrophobicContact CG2-CE2 3.39Å; T251-F256 HydrophobicContact CG2-CZ 4.11Å; Q252-F256 VanDerWaalsContact O-CD2 3.31Å; Q252-F256 WeakPolarHBondContact O-CD2 3.49Å; V253-F256 PolarHBondContact O-N 3.4Å; S254-F256 VanDerWaalsContact C-N 3.3Å; F256-D258 PolarHBondContact O-N 3.46Å; F256-W259 WeakPolarHBondContact O-CB 3.43Å; F256-W259 PolarHBondContact O-N 3.42Å; F256-W259 VanDerWaalsContact O-N 3.13Å; F256-I260 HydrophobicContact CB-CD1 4.44Å; F256-I260 VanDerWaalsContact O-CG1 3.31Å; F256-I260 WeakPolarHBondContact O-CG1 3.11Å; F256-I260 PolarHBondContact O-N 2.98Å
257	L	98.4	Very high	97.8	Very high	15 Å²	15	37 Å²	37	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-40.6	-176.7	-66.8	-176.3	0	0	0	112.8	L140 P141 D143 V253 W259 I260 N261	L140-L257 HydrophobicContact CB-CD2 4.02Å; L140-L257 HydrophobicContact CD1-CD2 3.99Å; L140-L257 HydrophobicContact CG-CD2 4.5Å; P141-L257 WeakPolarHBondContact O-CD1 3.48Å; D143-L257 VanDerWaalsContact CA-CD1 3.45Å; D143-L257 HydrophobicContact CB-CD1 3.92Å; D143-L257 VanDerWaalsContact N-CD1 3.32Å; V253-L257 HydrophobicContact CG1-CD2 4.17Å; L257-W259 VanDerWaalsContact C-N 3.29Å; L257-W259 PolarHBondContact O-N 3.03Å; L257-I260 HydrophobicContact CD2-CD1 4.18Å; L257-I260 PolarHBondContact O-N 3.19Å; L257-N261 WeakPolarHBondContact O-CB 3.3Å; L257-N261 VanDerWaalsContact O-CG 3.25Å; L257-N261 PolarHBondContact O-N 3.49Å; L257-N261 PolarHBondContact O-ND2 2.68Å; L257-N261 VanDerWaalsContact O-ND2 3.12Å
258	D	98	Very high	97.8	Very high	122 Å²	122	38.8 Å²	38.8	65%	0.652	23%	0.229	S	C	*	.	H	α-helix	trans	-56.5	-44.8	173.9	-81.7	-11.3	0	0	0	111.7	F256 A262	F256-D258 PolarHBondContact O-N 3.46Å; D258-A262 WeakPolarHBondContact O-CB 3.18Å; D258-A262 PolarHBondContact O-N 3.42Å
259	W	98.6	Very high	97.9	Very high	30 Å²	30	40.7 Å²	40.7	11%	0.114	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-47.9	176.7	179.4	89.3	0	0	0	111.2	I106 H108 E109 I120 L122 F256 L257 N261 A262 K263	I106-W259 HydrophobicContact CG2-CH2 4.47Å; I106-W259 HydrophobicContact CG2-CZ2 4.02Å; H108-W259 VanDerWaalsContact CA-CZ2 3.48Å; H108-W259 HydrophobicContact CB-CH2 4.37Å; H108-W259 HydrophobicContact CB-CZ2 3.92Å; H108-W259 AromaticContact CD2-CD1 3.59Å; H108-W259 AromaticContact CD2-CD2 3.53Å; H108-W259 AromaticContact CD2-CE2 3.48Å; H108-W259 VanDerWaalsContact CD2-CE2 3.48Å; H108-W259 AromaticContact CD2-CG 3.64Å; H108-W259 AromaticContact CD2-NE1 3.46Å; H108-W259 PolarHBondContact CD2-NE1 2.77Å; H108-W259 AromaticContact CG-CE2 3.99Å; H108-W259 AromaticContact CG-NE1 3.95Å; H108-W259 AromaticContact NE2-CD1 3.62Å; H108-W259 AromaticContact NE2-CG 3.84Å; H108-W259 AromaticContact NE2-NE1 3.88Å; E109-W259 PolarHBondContact OE2-NE1 3.39Å; I120-W259 HydrophobicContact CD1-CE3 4.23Å; I120-W259 HydrophobicContact CD1-CZ3 4.11Å; I120-W259 HydrophobicContact CG1-CZ3 3.97Å; I120-W259 HydrophobicContact CG2-CE3 4.42Å; I120-W259 HydrophobicContact CG2-CZ3 4.2Å; L122-W259 HydrophobicContact CD1-CH2 4.25Å; L122-W259 HydrophobicContact CD1-CZ3 3.91Å; L122-W259 HydrophobicContact CG-CH2 4.15Å; L122-W259 HydrophobicContact CG-CZ3 3.85Å; F256-W259 WeakPolarHBondContact O-CB 3.43Å; F256-W259 PolarHBondContact O-N 3.42Å; F256-W259 VanDerWaalsContact O-N 3.13Å; L257-W259 VanDerWaalsContact C-N 3.29Å; L257-W259 PolarHBondContact O-N 3.03Å; W259-N261 VanDerWaalsContact C-N 3.35Å; W259-N261 PolarHBondContact O-N 2.96Å; W259-A262 PolarHBondContact O-N 2.91Å; W259-K263 HydrophobicContact CD2-CG 4.04Å; W259-K263 HydrophobicContact CG-CG 4.48Å; W259-K263 HydrophobicContact CH2-CG 4.39Å; W259-K263 HydrophobicContact CZ2-CG 3.87Å; W259-K263 VanDerWaalsContact O-CG 3.31Å; W259-K263 WeakPolarHBondContact O-CG 3.37Å; W259-K263 PolarHBondContact O-N 3.04Å
260	I	98.7	Very high	97.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-55.4	-51.9	178.7	-70	164.7	0	0	0	110.1	I63 L69 I120 L122 L140 V253 F256 L257 K263 I264	I63-I260 HydrophobicContact CD1-CG2 4.14Å; L69-I260 HydrophobicContact CD1-CD1 4.09Å; L69-I260 HydrophobicContact CD1-CG1 4.31Å; L69-I260 HydrophobicContact CD2-CD1 4.47Å; I120-I260 HydrophobicContact CD1-CD1 4.16Å; I120-I260 HydrophobicContact CD1-CG1 4.25Å; L122-I260 HydrophobicContact CD1-CG2 4.4Å; L122-I260 HydrophobicContact CD2-CG2 4.41Å; L140-I260 HydrophobicContact CD1-CG2 4.29Å; V253-I260 HydrophobicContact CG1-CD1 4.18Å; F256-I260 HydrophobicContact CB-CD1 4.44Å; F256-I260 VanDerWaalsContact O-CG1 3.31Å; F256-I260 WeakPolarHBondContact O-CG1 3.11Å; F256-I260 PolarHBondContact O-N 2.98Å; L257-I260 HydrophobicContact CD2-CD1 4.18Å; L257-I260 PolarHBondContact O-N 3.19Å; I260-K263 PolarHBondContact O-N 3.32Å; I260-I264 HydrophobicContact CG2-CD1 3.76Å; I260-I264 WeakPolarHBondContact O-CG1 3.35Å; I260-I264 PolarHBondContact O-N 2.03Å
261	N	98.2	Very high	97.8	Very high	86 Å²	86	45.5 Å²	45.5	46%	0.46	27%	0.268	S	S	.	.	H	α-helix	trans	-63.2	-45.4	-178.7	-71	-33.5	0	0	0	111.7	L257 W259 K263 I264 V265	L257-N261 WeakPolarHBondContact O-CB 3.3Å; L257-N261 VanDerWaalsContact O-CG 3.25Å; L257-N261 PolarHBondContact O-N 3.49Å; L257-N261 PolarHBondContact O-ND2 2.68Å; L257-N261 VanDerWaalsContact O-ND2 3.12Å; W259-N261 VanDerWaalsContact C-N 3.35Å; W259-N261 PolarHBondContact O-N 2.96Å; N261-K263 VanDerWaalsContact C-N 3.3Å; N261-K263 PolarHBondContact O-N 3.13Å; N261-I264 PolarHBondContact O-N 3.27Å; N261-V265 WeakPolarHBondContact O-CG2 3.49Å; N261-V265 PolarHBondContact O-N 2.9Å
262	A	98.3	Very high	97.7	Very high	55 Å²	55	48.1 Å²	48.1	46%	0.455	28%	0.284	S	S	.	.	H	α-helix	trans	-59.9	-39.6	177.8	0	0	0	0	0	112.2	D258 W259 A266	D258-A262 WeakPolarHBondContact O-CB 3.18Å; D258-A262 PolarHBondContact O-N 3.42Å; W259-A262 PolarHBondContact O-N 2.91Å; A262-A266 VanDerWaalsContact O-CB 3.26Å; A262-A266 WeakPolarHBondContact O-CB 3.34Å; A262-A266 PolarHBondContact O-N 2.65Å; A262-A266 VanDerWaalsContact O-N 3.12Å
263	K	98.4	Very high	97.7	Very high	48 Å²	48	50.4 Å²	50.4	21%	0.209	30%	0.298	C	S	.	.	H	α-helix	trans	-71.2	-40.2	177.5	-65.3	-43.7	177.2	-173.7	0	113.1	I106 E109 L122 W259 I260 N261 A266 N267	I106-K263 HydrophobicContact CD1-CB 4.1Å; I106-K263 HydrophobicContact CG2-CD 4.11Å; I106-K263 HydrophobicContact CG2-CG 4.09Å; E109-K263 WeakPolarHBondContact OE1-CE 3.33Å; E109-K263 IonicContact OE1-NZ 2.74Å; E109-K263 PolarHBondContact OE1-NZ 3.45Å; E109-K263 IonicContact OE2-NZ 3.85Å; L122-K263 HydrophobicContact CD1-CB 3.65Å; L122-K263 HydrophobicContact CD1-CG 4.38Å; W259-K263 HydrophobicContact CD2-CG 4.04Å; W259-K263 HydrophobicContact CG-CG 4.48Å; W259-K263 HydrophobicContact CH2-CG 4.39Å; W259-K263 HydrophobicContact CZ2-CG 3.87Å; W259-K263 VanDerWaalsContact O-CG 3.31Å; W259-K263 WeakPolarHBondContact O-CG 3.37Å; W259-K263 PolarHBondContact O-N 3.04Å; I260-K263 PolarHBondContact O-N 3.32Å; N261-K263 VanDerWaalsContact C-N 3.3Å; N261-K263 PolarHBondContact O-N 3.13Å; K263-A266 PolarHBondContact O-N 2.94Å; K263-N267 WeakPolarHBondContact O-CB 3.42Å; K263-N267 PolarHBondContact O-N 2.96Å; K263-N267 PolarHBondContact O-ND2 2.93Å
264	I	97.4	Very high	97.6	Very high	46 Å²	46	54 Å²	54	24%	0.236	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-44.3	176	-71.1	174	0	0	0	110.8	I63 W67 L122 I260 N261 A266 N267	I63-I264 HydrophobicContact CD1-CD1 4.15Å; W67-I264 HydrophobicContact CB-CD1 4.44Å; W67-I264 HydrophobicContact CD2-CD1 4.46Å; W67-I264 HydrophobicContact CD2-CG1 3.79Å; W67-I264 HydrophobicContact CE3-CG1 4.22Å; W67-I264 HydrophobicContact CG-CD1 4.18Å; W67-I264 HydrophobicContact CG-CG1 4Å; W67-I264 HydrophobicContact CZ2-CB 4.42Å; W67-I264 HydrophobicContact CZ2-CG1 4.26Å; L122-I264 HydrophobicContact CD1-CG1 4.28Å; I260-I264 HydrophobicContact CG2-CD1 3.76Å; I260-I264 WeakPolarHBondContact O-CG1 3.35Å; I260-I264 PolarHBondContact O-N 2.03Å; N261-I264 PolarHBondContact O-N 3.27Å; I264-A266 VanDerWaalsContact C-N 3.35Å; I264-A266 PolarHBondContact O-N 2.68Å; I264-N267 PolarHBondContact O-N 3.18Å
265	V	96.5	Very high	97.5	Very high	129 Å²	129	58.2 Å²	58.2	78%	0.782	34%	0.344	S	S	*	.	H	α-helix	trans	-67.4	-36.2	-179.8	170.5	0	0	0	0	112.1	N261 N267	N261-V265 WeakPolarHBondContact O-CG2 3.49Å; N261-V265 PolarHBondContact O-N 2.9Å; V265-N267 VanDerWaalsContact C-N 3.3Å; V265-N267 PolarHBondContact O-N 3.08Å
266	A	95.6	Very high	97.4	Very high	78 Å²	78	59.3 Å²	59.3	65%	0.645	35%	0.347	S	S	*	.	H	α-helix	trans	-77.4	-9.9	-177.1	0	0	0	0	0	114.6	A262 K263 I264	A262-A266 VanDerWaalsContact O-CB 3.26Å; A262-A266 WeakPolarHBondContact O-CB 3.34Å; A262-A266 PolarHBondContact O-N 2.65Å; A262-A266 VanDerWaalsContact O-N 3.12Å; K263-A266 PolarHBondContact O-N 2.94Å; I264-A266 VanDerWaalsContact C-N 3.35Å; I264-A266 PolarHBondContact O-N 2.68Å
267	N	92.2	Very high	97.3	Very high	91 Å²	91	63.6 Å²	63.6	49%	0.487	37%	0.374	S	S	.	.			trans	-131.8	0	-169.8	-69.4	-90.6	0	0	0	113.7	W67 I106 K124 K263 I264 V265	W67-N267 HydrophobicContact CH2-CB 3.78Å; W67-N267 HydrophobicContact CZ2-CB 4.04Å; W67-N267 WeakPolarHBondContact CZ2-OXT 3.25Å; I106-N267 HydrophobicContact CD1-CB 4.44Å; I106-N267 WeakPolarHBondContact CD1-ND2 3.34Å; K124-N267 PolarHBondContact NZ-O 3.21Å; K124-N267 PolarHBondContact NZ-OXT 3.31Å; K263-N267 WeakPolarHBondContact O-CB 3.42Å; K263-N267 PolarHBondContact O-N 2.96Å; K263-N267 PolarHBondContact O-ND2 2.93Å; I264-N267 PolarHBondContact O-N 3.18Å; V265-N267 VanDerWaalsContact C-N 3.3Å; V265-N267 PolarHBondContact O-N 3.08Å

Retrieved 267 of 267 residues in 304.7 ms (Link to these results)

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