A0A087XBT3_POEFO Loading...

trypsin

AlphaFold DB , UniProt , Accession A0A087XBT3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 248 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	42.5	Very low	246 Å²	246	170 Å²	170	100%	1.212	84%	0.842	S	S	*	*				0	118.3	0	-126.9	165.3	176.4	0	0	107.1
2	F	37.5	Very low	42.4	Very low	193 Å²	193	164.5 Å²	164.5	85%	0.846	83%	0.825	S	S	*	*			trans	-61.2	135.2	-177	-70.7	-96.6	0	0	0	111.5
3	F	37	Very low	42.5	Very low	212 Å²	212	163.2 Å²	163.2	93%	0.93	82%	0.821	S	S	*	*			trans	-142.6	105.1	135.2	-89.9	-72.5	0	0	0	109.8
4	N	39.3	Very low	42.2	Very low	127 Å²	127	162.5 Å²	162.5	68%	0.679	82%	0.82	S	S	*	*			trans	-71.7	127.3	163.2	-166.9	18.8	0	0	0	106.9
5	N	38.8	Very low	42	Very low	148 Å²	148	159.3 Å²	159.3	79%	0.791	81%	0.811	S	S	*	*			trans	-144.3	98.4	159.2	-115.9	-3.8	0	0	0	109.8
6	R	50.7	Low	41.6	Very low	220 Å²	220	159.9 Å²	159.9	83%	0.83	82%	0.816	S	S	*	*			trans	-71.6	122	163.8	-67.4	-161.6	173.8	-149.1	1.6	108.3
7	L	44	Very low	41.2	Very low	159 Å²	159	162.1 Å²	162.1	83%	0.832	81%	0.814	S	S	*	*			trans	-105	122.5	158.4	-114.8	84.9	0	0	0	108.7
8	P	47.4	Very low	41	Very low	108 Å²	108	161.3 Å²	161.3	70%	0.701	81%	0.812	S	S	*	*			trans	-87.2	141.5	168.1	33.7	-28	0	0	0	111.1
9	V	49.8	Very low	40.9	Very low	128 Å²	128	161.5 Å²	161.5	78%	0.776	81%	0.81	S	S	*	*			trans	38.4	120.5	139.9	-169.3	0	0	0	0	118.8
10	L	38.6	Very low	40.6	Very low	154 Å²	154	155.8 Å²	155.8	81%	0.806	79%	0.794	S	S	*	*			trans	-149.7	83.7	134.5	-145.8	76.7	0	0	0	110.6	V12	L10-V12 HydrophobicContact CD2-CG2 3.82Å; L10-V12 HydrophobicContact CG-CG2 4.09Å; L10-V12 PolarHBondContact O-N 3.18Å
11	M	46.5	Very low	40.5	Very low	175 Å²	175	157.3 Å²	157.3	86%	0.862	80%	0.798	S	S	*	*			trans	-72.7	101.1	157.1	-84.4	-143.4	-131.4	0	0	107.1	L13	M11-L13 VanDerWaalsContact C-N 3.32Å; M11-L13 PolarHBondContact O-N 3.02Å
12	V	41.3	Very low	40.4	Very low	104 Å²	104	149.9 Å²	149.9	63%	0.63	77%	0.767	S	S	*	*			trans	-72.9	92.6	168.4	179.3	0	0	0	0	107.1	L10 L14	L10-V12 HydrophobicContact CD2-CG2 3.82Å; L10-V12 HydrophobicContact CG-CG2 4.09Å; L10-V12 PolarHBondContact O-N 3.18Å; V12-L14 PolarHBondContact O-N 2.84Å; V12-L14 VanDerWaalsContact O-N 3.08Å
13	L	43.5	Very low	40.4	Very low	148 Å²	148	141.8 Å²	141.8	78%	0.775	74%	0.738	S	S	*	*			trans	-64.7	101.2	162.1	-92.8	147.8	0	0	0	107.2	M11 T15	M11-L13 VanDerWaalsContact C-N 3.32Å; M11-L13 PolarHBondContact O-N 3.02Å; L13-T15 PolarHBondContact O-N 3.08Å
14	L	38	Very low	40.5	Very low	153 Å²	153	136.9 Å²	136.9	80%	0.801	72%	0.716	S	S	*	*			trans	-64.4	85.8	165.1	-80.9	155.7	0	0	0	107.8	V12 L16	V12-L14 PolarHBondContact O-N 2.84Å; V12-L14 VanDerWaalsContact O-N 3.08Å; L14-L16 PolarHBondContact O-N 3.07Å; L14-L16 VanDerWaalsContact O-N 3.07Å
15	T	38.5	Very low	41.2	Very low	114 Å²	114	130.9 Å²	130.9	70%	0.699	68%	0.684	S	S	*	*			trans	-64.1	107.2	160.8	50.9	0	0	0	0	106.3	L13 Y17	L13-T15 PolarHBondContact O-N 3.08Å; T15-Y17 VanDerWaalsContact C-N 3.27Å; T15-Y17 PolarHBondContact O-N 2.89Å
16	L	35.8	Very low	42.3	Very low	169 Å²	169	125.8 Å²	125.8	89%	0.885	66%	0.656	S	S	*	*			trans	-57.9	99.1	164.3	-68.4	169.3	0	0	0	106.3	L14 D18	L14-L16 PolarHBondContact O-N 3.07Å; L14-L16 VanDerWaalsContact O-N 3.07Å; L16-D18 PolarHBondContact O-N 2.75Å
17	Y	36.1	Very low	43.1	Very low	198 Å²	198	118.2 Å²	118.2	78%	0.776	65%	0.647	S	S	*	*			trans	-67	95.8	167.2	-149.9	-91.5	0	0	0	104.7	T15 Q19	T15-Y17 VanDerWaalsContact C-N 3.27Å; T15-Y17 PolarHBondContact O-N 2.89Å; Y17-Q19 VanDerWaalsContact C-N 3.34Å; Y17-Q19 PolarHBondContact O-N 2.85Å
18	D	36.2	Very low	45	Very low	147 Å²	147	111 Å²	111	79%	0.786	61%	0.611	S	S	*	*			trans	-55.7	106.5	168.1	-169.6	17	0	0	0	105.6	L16 G20	L16-D18 PolarHBondContact O-N 2.75Å; D18-G20 PolarHBondContact O-N 2.93Å
19	Q	40.1	Very low	47	Very low	165 Å²	165	110.5 Å²	110.5	77%	0.771	60%	0.599	S	S	*	*			trans	-70.5	67.4	168.3	-76.5	-104.5	-53.9	0	0	106.4	Y17 Q21	Y17-Q19 VanDerWaalsContact C-N 3.34Å; Y17-Q19 PolarHBondContact O-N 2.85Å; Q19-Q21 PolarHBondContact O-N 2.89Å
20	G	34.4	Very low	49.1	Very low	48 Å²	48	106.7 Å²	106.7	50%	0.495	58%	0.576	S	S	.	*			trans	-58.8	105.5	165.2	0	0	0	0	0	105.9	D18 T22	D18-G20 PolarHBondContact O-N 2.93Å; G20-T22 VanDerWaalsContact C-N 3.25Å; G20-T22 PolarHBondContact O-N 3.14Å
21	Q	38.3	Very low	51.8	Low	188 Å²	188	99.5 Å²	99.5	88%	0.879	54%	0.539	S	S	*	.			trans	-56.8	99.6	167.5	-74	-156.4	-19	0	0	106.9	Q19 G23	Q19-Q21 PolarHBondContact O-N 2.89Å; Q21-G23 VanDerWaalsContact C-N 3.3Å; Q21-G23 PolarHBondContact O-N 2.98Å
22	T	37	Very low	54.2	Low	89 Å²	89	97.8 Å²	97.8	55%	0.546	53%	0.529	S	S	.	.			trans	-62.5	100.4	167.3	52.7	0	0	0	0	104.9	G20 K24	G20-T22 VanDerWaalsContact C-N 3.25Å; G20-T22 PolarHBondContact O-N 3.14Å; T22-K24 WeakPolarHBondContact O-CG 3.48Å; T22-K24 PolarHBondContact O-N 2.79Å
23	G	36	Very low	56.7	Low	24 Å²	24	96.8 Å²	96.8	25%	0.247	53%	0.525	C	S	.	.			trans	-48.2	130.6	152.8	0	0	0	0	0	105.7	Q21 M166	Q21-G23 VanDerWaalsContact C-N 3.3Å; Q21-G23 PolarHBondContact O-N 2.98Å; G23-M166 VanDerWaalsContact C-CE 3.43Å; G23-M166 WeakPolarHBondContact O-CE 3.38Å; G23-M166 VanDerWaalsContact O-SD 3.32Å
24	K	39.8	Very low	59.1	Low	109 Å²	109	92.6 Å²	92.6	47%	0.474	50%	0.501	S	S	.	.			trans	-121.9	124.4	178.9	-67.5	-169.9	178.5	-180	0	105.6	T22 I26 G28 T155	T22-K24 WeakPolarHBondContact O-CG 3.48Å; T22-K24 PolarHBondContact O-N 2.79Å; K24-I26 PolarHBondContact O-N 2.88Å; K24-G28 WeakPolarHBondContact CB-O 2.96Å; K24-G28 VanDerWaalsContact CG-O 3.31Å; K24-G28 WeakPolarHBondContact CG-O 3.47Å; K24-T155 VanDerWaalsContact C-CG2 3.43Å; K24-T155 CarbonylContact O-C 3.59Å; K24-T155 WeakPolarHBondContact O-CA 3.39Å; K24-T155 WeakPolarHBondContact O-CB 3.29Å; K24-T155 WeakPolarHBondContact O-CG2 3.4Å; K24-T155 VanDerWaalsContact O-O 3.11Å
25	I	54.5	Low	61.9	Low	0 Å²	0	87.2 Å²	87.2	0%	0	48%	0.476	C	S	.	.	S	Bend	trans	-43.8	141.7	147	-86.9	163.5	0	0	0	105.7	G27 G28 M166 M168 R191	I25-G27 CarbonylContact O-C 3.52Å; I25-G27 PolarHBondContact O-N 2.65Å; I25-G28 WeakPolarHBondContact O-CA 3.43Å; I25-G28 PolarHBondContact O-N 3.38Å; I25-M166 HydrophobicContact CB-CB 4.06Å; I25-M166 VanDerWaalsContact CD1-C 3.48Å; I25-M166 HydrophobicContact CD1-CB 3.39Å; I25-M166 WeakPolarHBondContact CD1-O 3.2Å; I25-M166 HydrophobicContact CG1-CB 3.35Å; I25-M166 HydrophobicContact CG1-CG 4.23Å; I25-M168 HydrophobicContact CG2-CB 4.22Å; I25-M168 HydrophobicContact CG2-CE 4.3Å; I25-M168 HydrophobicContact CG2-CG 3.85Å; I25-M168 HydrophobicContact CG2-SD 3.49Å; I25-M168 WeakPolarHBondContact CG2-SD 3.39Å; I25-R191 WeakPolarHBondContact CG2-O 3.33Å
26	I	61	Low	64.8	Low	41 Å²	41	84.2 Å²	84.2	21%	0.21	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-53.4	112.8	-172.2	-61.2	172.1	0	0	0	107.7	K24 T155 A190 R191	K24-I26 PolarHBondContact O-N 2.88Å; I26-T155 WeakPolarHBondContact CG1-O 3.46Å; I26-A190 CarbonylContact O-C 3.49Å; I26-A190 WeakPolarHBondContact O-CA 3.11Å; I26-A190 VanDerWaalsContact O-CB 3.3Å; I26-A190 WeakPolarHBondContact O-CB 3.27Å; I26-R191 HydrophobicContact CB-CG 4.28Å; I26-R191 HydrophobicContact CD1-CG 4.33Å; I26-R191 VanDerWaalsContact CD1-CZ 3.49Å; I26-R191 PolarHBondContact O-N 3.07Å; I26-R191 VanDerWaalsContact O-N 3.08Å
27	G	69.1	Low	67.7	Low	61 Å²	61	77.4 Å²	77.4	63%	0.629	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-2.1	-171.8	0	0	0	0	0	119.6	I25	I25-G27 CarbonylContact O-C 3.52Å; I25-G27 PolarHBondContact O-N 2.65Å
28	G	83.1	Confident	70.7	Confident	8 Å²	8	69 Å²	69	8%	0.082	39%	0.385	C	S	.	.			trans	-97.5	-169.3	179.6	0	0	0	0	0	115.9	K24 I25 E167	K24-G28 WeakPolarHBondContact CB-O 2.96Å; K24-G28 VanDerWaalsContact CG-O 3.31Å; K24-G28 WeakPolarHBondContact CG-O 3.47Å; I25-G28 WeakPolarHBondContact O-CA 3.43Å; I25-G28 PolarHBondContact O-N 3.38Å; G28-E167 CarbonylContact C-O 3.51Å; G28-E167 VanDerWaalsContact CA-O 3.27Å; G28-E167 WeakPolarHBondContact CA-O 3.46Å
29	H	89.8	Confident	73.7	Confident	97 Å²	97	62.1 Å²	62.1	45%	0.449	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	162.8	-177.7	66.1	-73.8	0	0	0	111.7	A31 M166 E167	H29-A31 PolarHBondContact O-N 2.79Å; H29-M166 WeakPolarHBondContact O-CE 3.32Å; H29-E167 PolarHBondContact N-O 3.23Å; H29-E167 IonicContact NE2-OE1 3.56Å; H29-E167 PolarHBondContact O-N 3.25Å
30	V	94.1	Very high	76.5	Confident	48 Å²	48	54.3 Å²	54.3	29%	0.291	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	129.6	-177.9	176.5	0	0	0	0	108.7	K164 M166	V30-K164 HydrophobicContact CG1-CB 4.2Å; V30-K164 HydrophobicContact CG1-CD 4Å; V30-K164 HydrophobicContact CG2-CD 4.35Å; V30-M166 HydrophobicContact CB-CE 4.37Å; V30-M166 HydrophobicContact CB-SD 4.43Å; V30-M166 HydrophobicContact CG2-CE 3.9Å; V30-M166 HydrophobicContact CG2-SD 3.82Å; V30-M166 VanDerWaalsContact N-CE 3.29Å
31	A	95.7	Very high	79.5	Confident	4 Å²	4	52.3 Å²	52.3	3%	0.033	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-71	145.2	175.2	0	0	0	0	0	110	H29 L165 E167	H29-A31 PolarHBondContact O-N 2.79Å; A31-L165 HydrophobicContact CB-CB 4.4Å; A31-L165 HydrophobicContact CB-CD2 4.02Å; A31-L165 HydrophobicContact CB-CG 3.99Å; A31-L165 PolarHBondContact N-O 2.93Å; A31-E167 HydrophobicContact CB-CB 4.28Å; A31-E167 HydrophobicContact CB-CG 3.94Å
32	E	95.9	Very high	82.4	Confident	139 Å²	139	43.4 Å²	43.4	65%	0.65	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-56.4	133.8	172.8	-73	-58	143.4	0	0	110	H34 S35	E32-H34 PolarHBondContact O-N 2.91Å; E32-S35 WeakPolarHBondContact O-CB 3.44Å; E32-S35 PolarHBondContact O-N 3.41Å; E32-S35 PolarHBondContact O-OG 2.93Å
33	P	94.5	Very high	85.2	Confident	83 Å²	83	44.1 Å²	44.1	54%	0.539	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	129.5	-175.5	-29.2	35.4	0	0	0	112.7	S35	P33-S35 PolarHBondContact O-N 2.75Å
34	H	94.2	Very high	88	Confident	60 Å²	60	43.7 Å²	43.7	28%	0.278	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	12.9	-178.5	-48	-67.1	0	0	0	116.3	E32 R36 D82 F129	E32-H34 PolarHBondContact O-N 2.91Å; H34-R36 PolarHBondContact O-N 2.9Å; H34-D82 IonicContact CE1-OD1 3.98Å; H34-F129 HydrophobicContact CB-CB 4.5Å; H34-F129 HydrophobicContact CB-CD1 3.59Å; H34-F129 HydrophobicContact CB-CE1 4.29Å; H34-F129 HydrophobicContact CB-CG 4.42Å; H34-F129 AromaticContact CD2-CD1 3.75Å; H34-F129 AromaticContact CD2-CE1 3.84Å; H34-F129 AromaticContact CG-CD1 3.46Å; H34-F129 VanDerWaalsContact CG-CD1 3.46Å; H34-F129 AromaticContact ND1-CD1 3.89Å
35	S	96.6	Very high	90.5	Very high	39 Å²	39	40.4 Å²	40.4	27%	0.273	22%	0.219	S	C	.	.	S	Bend	trans	-71.6	-9.6	177.3	66.8	0	0	0	0	114.1	E32 P33 P37	E32-S35 WeakPolarHBondContact O-CB 3.44Å; E32-S35 PolarHBondContact O-N 3.41Å; E32-S35 PolarHBondContact O-OG 2.93Å; P33-S35 PolarHBondContact O-N 2.75Å; S35-P37 VanDerWaalsContact C-CD 3.46Å; S35-P37 WeakPolarHBondContact O-CD 3.42Å
36	R	97.8	Very high	92.1	Very high	52 Å²	52	42.9 Å²	42.9	20%	0.196	23%	0.232	C	C	.	.			trans	-122.5	68	177.7	-51.2	-68.2	171.1	-102.8	1	109.8	H34 Y38 M39 L165 E167	H34-R36 PolarHBondContact O-N 2.9Å; R36-Y38 HydrophobicContact CB-CE1 4.49Å; R36-Y38 HydrophobicContact CB-CE2 4.33Å; R36-Y38 WeakPolarHBondContact CD-OH 3.18Å; R36-Y38 PolarHBondContact O-N 2.77Å; R36-M39 HydrophobicContact CB-CG 3.57Å; R36-M39 WeakPolarHBondContact O-CB 3.44Å; R36-M39 PolarHBondContact O-N 3.31Å; R36-L165 HydrophobicContact CB-CD2 3.76Å; R36-L165 HydrophobicContact CG-CD2 3.85Å; R36-E167 IonicContact CZ-OE1 3.13Å; R36-E167 IonicContact CZ-OE2 2.99Å; R36-E167 IonicContact NE-OE2 2.87Å; R36-E167 PolarHBondContact NE-OE2 2.86Å; R36-E167 IonicContact NH2-OE1 2.75Å; R36-E167 PolarHBondContact NH2-OE1 3.4Å; R36-E167 IonicContact NH2-OE2 3.89Å; R36-E167 PolarHBondContact NH2-OE2 3.22Å
37	P	97.9	Very high	93.2	Very high	25 Å²	25	45 Å²	45	16%	0.162	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-8.3	-168.6	30.8	-38.6	0	0	0	114.1	S35 F129 V130 K131	S35-P37 VanDerWaalsContact C-CD 3.46Å; S35-P37 WeakPolarHBondContact O-CD 3.42Å; P37-F129 WeakPolarHBondContact CA-O 3.07Å; P37-F129 WeakPolarHBondContact CB-O 3.31Å; P37-V130 WeakPolarHBondContact O-CA 3.31Å; P37-K131 CarbonylContact C-O 3.52Å; P37-K131 HydrophobicContact CB-CB 3.99Å; P37-K131 HydrophobicContact CB-CG 4.18Å; P37-K131 HydrophobicContact CG-CB 3.94Å; P37-K131 HydrophobicContact CG-CD 4.41Å; P37-K131 HydrophobicContact CG-CG 4.32Å; P37-K131 PolarHBondContact O-N 3.08Å
38	Y	98.7	Very high	94	Very high	23 Å²	23	46.4 Å²	46.4	9%	0.09	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-15	174.9	50.6	-100.7	0	0	0	113.5	R36 A40 F57 L58 K131 V133 P200 V202	R36-Y38 HydrophobicContact CB-CE1 4.49Å; R36-Y38 HydrophobicContact CB-CE2 4.33Å; R36-Y38 WeakPolarHBondContact CD-OH 3.18Å; R36-Y38 PolarHBondContact O-N 2.77Å; Y38-A40 PolarHBondContact O-N 3.08Å; Y38-F57 HydrophobicContact CD2-CB 4.13Å; Y38-F57 CarbonylContact O-C 3.54Å; Y38-F57 WeakPolarHBondContact O-CA 3.09Å; Y38-L58 PolarHBondContact O-N 3.06Å; Y38-K131 WeakPolarHBondContact CA-O 3.33Å; Y38-K131 VanDerWaalsContact CB-O 3.28Å; Y38-K131 WeakPolarHBondContact CB-O 2.96Å; Y38-K131 PolarHBondContact N-O 3.08Å; Y38-V133 HydrophobicContact CD1-CB 3.85Å; Y38-V133 HydrophobicContact CD1-CG2 4.09Å; Y38-V133 HydrophobicContact CD2-CB 4.39Å; Y38-V133 HydrophobicContact CD2-CG1 4.49Å; Y38-V133 HydrophobicContact CE1-CG2 4.37Å; Y38-V133 HydrophobicContact CG-CB 3.72Å; Y38-V133 HydrophobicContact CG-CG1 4.19Å; Y38-V133 HydrophobicContact CG-CG2 4.3Å; Y38-P200 HydrophobicContact CD2-CG 4Å; Y38-P200 HydrophobicContact CE2-CG 3.62Å; Y38-V202 HydrophobicContact CE2-CG2 3.91Å; Y38-V202 WeakPolarHBondContact OH-CG2 3.38Å
39	M	98.6	Very high	94	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	136.6	-174.8	-71.6	-62.7	-60.8	0	0	111.6	R36 D55 S150 W152 L165 P200	R36-M39 HydrophobicContact CB-CG 3.57Å; R36-M39 WeakPolarHBondContact O-CB 3.44Å; R36-M39 PolarHBondContact O-N 3.31Å; M39-D55 HydrophobicContact CE-CB 4.4Å; M39-S150 WeakPolarHBondContact CE-O 3.49Å; M39-W152 HydrophobicContact CB-CH2 3.64Å; M39-W152 HydrophobicContact CB-CZ3 3.98Å; M39-W152 HydrophobicContact CE-CE3 4.34Å; M39-W152 HydrophobicContact CE-CH2 4.46Å; M39-W152 HydrophobicContact CE-CZ3 3.79Å; M39-L165 HydrophobicContact CE-CD1 4.08Å; M39-L165 HydrophobicContact CG-CD1 4.28Å; M39-L165 HydrophobicContact CG-CD2 4.15Å; M39-P200 VanDerWaalsContact SD-CD 3.5Å; M39-P200 HydrophobicContact SD-CG 3.62Å
40	A	98.6	Very high	93.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.2	175.9	0	0	0	0	0	109.7	Y38 D55 G56 V64 V77 Y78 L79	Y38-A40 PolarHBondContact O-N 3.08Å; A40-D55 CarbonylContact O-C 3.55Å; A40-D55 WeakPolarHBondContact O-CA 3.46Å; A40-G56 PolarHBondContact N-O 3.39Å; A40-G56 PolarHBondContact O-N 2.94Å; A40-V64 HydrophobicContact CB-CG1 3.95Å; A40-V64 HydrophobicContact CB-CG2 4.34Å; A40-V77 HydrophobicContact CB-CG1 4.11Å; A40-Y78 WeakPolarHBondContact CA-O 3.35Å; A40-L79 HydrophobicContact CB-CD2 3.66Å
41	F	98.4	Very high	93.5	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.7	169.9	179.5	-103	0	0	0	108.6	F53 Y78 V81 T84 L87 W152 I161	F41-F53 AromaticContact CE1-CD1 3.65Å; F41-F53 HydrophobicContact CE1-CD1 3.65Å; F41-F53 AromaticContact CE1-CE1 3.9Å; F41-F53 HydrophobicContact CE1-CE1 3.9Å; F41-F53 HydrophobicContact CE2-CB 4.28Å; F41-F53 HydrophobicContact CE2-CD1 4.06Å; F41-F53 HydrophobicContact CE2-CG 4.33Å; F41-F53 HydrophobicContact CZ-CB 4.27Å; F41-F53 AromaticContact CZ-CD1 3.22Å; F41-F53 HydrophobicContact CZ-CD1 3.22Å; F41-F53 AromaticContact CZ-CE1 3.68Å; F41-F53 HydrophobicContact CZ-CE1 3.68Å; F41-F53 AromaticContact CZ-CG 3.85Å; F41-F53 HydrophobicContact CZ-CG 3.85Å; F41-Y78 AromaticContact CD1-CD2 3.93Å; F41-Y78 HydrophobicContact CD1-CD2 3.93Å; F41-Y78 PolarHBondContact N-O 2.81Å; F41-Y78 PolarHBondContact O-N 2.84Å; F41-V81 HydrophobicContact CB-CG2 4.4Å; F41-T84 HydrophobicContact CD1-CG2 4.49Å; F41-T84 HydrophobicContact CD2-CG2 3.98Å; F41-T84 HydrophobicContact CE1-CG2 4.45Å; F41-T84 HydrophobicContact CE2-CG2 3.93Å; F41-T84 HydrophobicContact CG-CG2 4.25Å; F41-T84 HydrophobicContact CZ-CG2 4.16Å; F41-L87 HydrophobicContact CD1-CD1 4.1Å; F41-L87 HydrophobicContact CD1-CD2 4.37Å; F41-L87 HydrophobicContact CE1-CD1 3.91Å; F41-W152 HydrophobicContact CB-CE3 4.07Å; F41-W152 HydrophobicContact CB-CH2 4.32Å; F41-W152 HydrophobicContact CB-CZ3 3.91Å; F41-W152 HydrophobicContact CD2-CB 4.22Å; F41-W152 HydrophobicContact CD2-CD2 4.12Å; F41-W152 AromaticContact CD2-CE3 3.93Å; F41-W152 HydrophobicContact CD2-CE3 3.93Å; F41-W152 HydrophobicContact CD2-CG 4.28Å; F41-W152 HydrophobicContact CE2-CB 4.28Å; F41-W152 HydrophobicContact CG-CE3 4.49Å; F41-I161 HydrophobicContact CE2-CD1 4.21Å; F41-I161 HydrophobicContact CZ-CD1 4.13Å
42	I	98.3	Very high	93.4	Very high	1 Å²	1	55 Å²	55	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	105.8	-173.3	-53.6	174.2	0	0	0	109.1	F53 C54 V64 T66 Y75 V77 L118	I42-F53 VanDerWaalsContact O-CA 3.3Å; I42-F53 WeakPolarHBondContact O-CA 3.11Å; I42-C54 CarbonylContact C-O 3.58Å; I42-C54 WeakPolarHBondContact CA-O 3.32Å; I42-C54 VanDerWaalsContact CB-O 3.25Å; I42-C54 WeakPolarHBondContact CB-O 3.33Å; I42-C54 PolarHBondContact N-O 3Å; I42-C54 PolarHBondContact O-N 2.99Å; I42-C54 VanDerWaalsContact O-O 3.13Å; I42-V64 HydrophobicContact CD1-CG1 4.09Å; I42-T66 HydrophobicContact CD1-CG2 4.23Å; I42-Y75 HydrophobicContact CG2-CD1 3.92Å; I42-V77 HydrophobicContact CG1-CG2 4.39Å; I42-L118 HydrophobicContact CD1-CD1 3.81Å; I42-L118 HydrophobicContact CG2-CD1 4.41Å
43	R	96.2	Very high	93.3	Very high	105 Å²	105	51.5 Å²	51.5	40%	0.396	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	128.8	165.7	-176.6	175	179.6	-176.6	-0.4	108.9	F53 Y75 T76 Y78	R43-F53 HydrophobicContact CB-CD1 4.01Å; R43-F53 HydrophobicContact CB-CE1 3.95Å; R43-F53 HydrophobicContact CG-CD1 4.09Å; R43-F53 HydrophobicContact CG-CE1 3.66Å; R43-Y75 CarbonylContact O-C 3.51Å; R43-Y75 VanDerWaalsContact O-CA 3.29Å; R43-Y75 WeakPolarHBondContact O-CA 3.4Å; R43-T76 PolarHBondContact N-O 3.1Å; R43-T76 PolarHBondContact O-N 2.86Å; R43-Y78 HydrophobicContact CB-CE2 4.07Å
44	K	94.3	Very high	93.4	Very high	15 Å²	15	47.6 Å²	47.6	7%	0.065	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.9	-180	63.9	178	-176.1	175.2	0	111.1	S52 C54 C70 A72 N74 Y75	K44-S52 WeakPolarHBondContact CE-OG 3.45Å; K44-S52 WeakPolarHBondContact CG-O 3.15Å; K44-S52 PolarHBondContact N-O 3.38Å; K44-S52 PolarHBondContact O-N 3.26Å; K44-S52 VanDerWaalsContact O-O 3.04Å; K44-C54 PolarHBondContact NZ-SG 3.25Å; K44-C54 VanDerWaalsContact NZ-SG 3.35Å; K44-C70 WeakPolarHBondContact CD-O 3.35Å; K44-A72 HydrophobicContact CB-CB 3.65Å; K44-A72 HydrophobicContact CD-CB 4.14Å; K44-A72 HydrophobicContact CG-CB 4.25Å; K44-N74 WeakPolarHBondContact CA-O 3.37Å; K44-Y75 HydrophobicContact CB-CD1 3.89Å; K44-Y75 HydrophobicContact CB-CE1 4.29Å
45	N	92.6	Very high	93.6	Very high	39 Å²	39	44.8 Å²	44.8	21%	0.209	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.3	172.4	-65.8	-47.2	0	0	0	109.6	A72 N73 N74	N45-A72 WeakPolarHBondContact O-CB 3.38Å; N45-N73 PolarHBondContact O-N 2.87Å; N45-N73 VanDerWaalsContact O-N 3.15Å; N45-N74 WeakPolarHBondContact CB-OD1 3.35Å; N45-N74 PolarHBondContact N-O 3.35Å; N45-N74 VanDerWaalsContact N-O 3.13Å; N45-N74 PolarHBondContact ND2-OD1 3.49Å
46	L	88.4	Confident	93.7	Very high	52 Å²	52	42.9 Å²	42.9	27%	0.272	23%	0.228	S	C	.	.			trans	-69.7	174.2	-178.9	-60.6	-178.6	0	0	0	111.4	N48 N49 E50	L46-N48 VanDerWaalsContact CB-OD1 3.26Å; L46-N48 WeakPolarHBondContact CB-OD1 3.42Å; L46-N48 PolarHBondContact O-N 3.48Å; L46-N48 VanDerWaalsContact O-N 3.17Å; L46-N49 WeakPolarHBondContact O-CA 3.3Å; L46-N49 PolarHBondContact O-N 3.33Å; L46-E50 PolarHBondContact N-O 2.85Å
47	A	83.6	Confident	93.7	Very high	85 Å²	85	40.4 Å²	40.4	70%	0.702	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.4	-179.2	0	0	0	0	0	113.7	N49	A47-N49 VanDerWaalsContact C-N 3.28Å
48	N	87.1	Confident	93.8	Very high	92 Å²	92	39.2 Å²	39.2	49%	0.492	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	10.6	175.1	63.2	-9.7	0	0	0	113.4	L46 E50	L46-N48 VanDerWaalsContact CB-OD1 3.26Å; L46-N48 WeakPolarHBondContact CB-OD1 3.42Å; L46-N48 PolarHBondContact O-N 3.48Å; L46-N48 VanDerWaalsContact O-N 3.17Å; N48-E50 WeakPolarHBondContact ND2-CG 2.97Å; N48-E50 PolarHBondContact ND2-OE2 2.65Å; N48-E50 PolarHBondContact O-N 2.8Å; N48-E50 WeakPolarHBondContact OD1-CB 3.29Å; N48-E50 PolarHBondContact OD1-N 2.92Å; N48-E50 VanDerWaalsContact OD1-N 3.11Å
49	N	83.4	Confident	93.8	Very high	118 Å²	118	39.2 Å²	39.2	63%	0.631	21%	0.212	S	C	*	.			trans	61	14.4	-172.9	-60.7	-45.1	0	0	0	115.2	L46 A47	L46-N49 WeakPolarHBondContact O-CA 3.3Å; L46-N49 PolarHBondContact O-N 3.33Å; A47-N49 VanDerWaalsContact C-N 3.28Å
50	E	86.6	Confident	93.8	Very high	112 Å²	112	40.9 Å²	40.9	52%	0.523	22%	0.221	S	C	.	.			trans	-72.2	133.1	172.4	-73.7	-178.9	164.8	0	0	110.5	L46 N48	L46-E50 PolarHBondContact N-O 2.85Å; N48-E50 WeakPolarHBondContact ND2-CG 2.97Å; N48-E50 PolarHBondContact ND2-OE2 2.65Å; N48-E50 PolarHBondContact O-N 2.8Å; N48-E50 WeakPolarHBondContact OD1-CB 3.29Å; N48-E50 PolarHBondContact OD1-N 2.92Å; N48-E50 VanDerWaalsContact OD1-N 3.11Å
51	P	87.1	Confident	93.8	Very high	80 Å²	80	44.4 Å²	44.4	52%	0.519	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	135.8	175.5	29.5	-33.5	0	0	0	109.9
52	S	92.1	Very high	93.8	Very high	26 Å²	26	45 Å²	45	18%	0.182	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	171.1	172.8	-174.9	0	0	0	0	109	K44	K44-S52 WeakPolarHBondContact CE-OG 3.45Å; K44-S52 WeakPolarHBondContact CG-O 3.15Å; K44-S52 PolarHBondContact N-O 3.38Å; K44-S52 PolarHBondContact O-N 3.26Å; K44-S52 VanDerWaalsContact O-O 3.04Å
53	F	93.9	Very high	93.8	Very high	66 Å²	66	45 Å²	45	29%	0.289	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.4	-176.6	-50.9	-83.7	0	0	0	109.8	F41 I42 R43 I161	F41-F53 AromaticContact CE1-CD1 3.65Å; F41-F53 HydrophobicContact CE1-CD1 3.65Å; F41-F53 AromaticContact CE1-CE1 3.9Å; F41-F53 HydrophobicContact CE1-CE1 3.9Å; F41-F53 HydrophobicContact CE2-CB 4.28Å; F41-F53 HydrophobicContact CE2-CD1 4.06Å; F41-F53 HydrophobicContact CE2-CG 4.33Å; F41-F53 HydrophobicContact CZ-CB 4.27Å; F41-F53 AromaticContact CZ-CD1 3.22Å; F41-F53 HydrophobicContact CZ-CD1 3.22Å; F41-F53 AromaticContact CZ-CE1 3.68Å; F41-F53 HydrophobicContact CZ-CE1 3.68Å; F41-F53 AromaticContact CZ-CG 3.85Å; F41-F53 HydrophobicContact CZ-CG 3.85Å; I42-F53 VanDerWaalsContact O-CA 3.3Å; I42-F53 WeakPolarHBondContact O-CA 3.11Å; R43-F53 HydrophobicContact CB-CD1 4.01Å; R43-F53 HydrophobicContact CB-CE1 3.95Å; R43-F53 HydrophobicContact CG-CD1 4.09Å; R43-F53 HydrophobicContact CG-CE1 3.66Å; F53-I161 HydrophobicContact CD2-CD1 4.31Å; F53-I161 HydrophobicContact CE2-CD1 4.5Å
54	C	97.1	Very high	93.9	Very high	1 Å²	1	40 Å²	40	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	167.3	163.5	-83.6	0	0	0	0	107.5	I42 K44 C70 G195 S197	I42-C54 CarbonylContact C-O 3.58Å; I42-C54 WeakPolarHBondContact CA-O 3.32Å; I42-C54 VanDerWaalsContact CB-O 3.25Å; I42-C54 WeakPolarHBondContact CB-O 3.33Å; I42-C54 PolarHBondContact N-O 3Å; I42-C54 PolarHBondContact O-N 2.99Å; I42-C54 VanDerWaalsContact O-O 3.13Å; K44-C54 PolarHBondContact NZ-SG 3.25Å; K44-C54 VanDerWaalsContact NZ-SG 3.35Å; C54-C70 HydrophobicContact CB-CB 3.69Å; C54-C70 WeakPolarHBondContact CB-SG 3.33Å; C54-C70 WeakPolarHBondContact SG-CB 3.24Å; C54-C70 CovalentContact SG-SG 2.03Å; C54-C70 PolarHBondContact SG-SG 2.86Å; C54-G195 CarbonylContact C-O 3.57Å; C54-G195 WeakPolarHBondContact CA-O 3.44Å; C54-S197 VanDerWaalsContact CB-O 3.29Å; C54-S197 WeakPolarHBondContact CB-O 3.39Å
55	D	98.2	Very high	94.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	168.7	167.7	-70.5	-16.7	0	0	0	110.2	M39 A40 T66 G151 W152 G195 D196 S197 G198	M39-D55 HydrophobicContact CE-CB 4.4Å; A40-D55 CarbonylContact O-C 3.55Å; A40-D55 WeakPolarHBondContact O-CA 3.46Å; D55-T66 PolarHBondContact O-OG1 2.98Å; D55-G151 WeakPolarHBondContact OD2-CA 3.3Å; D55-W152 PolarHBondContact OD2-N 3.13Å; D55-G195 PolarHBondContact N-O 3.35Å; D55-D196 WeakPolarHBondContact OD2-CA 3.44Å; D55-S197 PolarHBondContact N-O 2.94Å; D55-G198 CarbonylContact O-C 3.56Å; D55-G198 WeakPolarHBondContact O-CA 3.42Å
56	G	98.6	Very high	94.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	-174.3	174.8	0	0	0	0	0	110.2	A40 M65 G198	A40-G56 PolarHBondContact N-O 3.39Å; A40-G56 PolarHBondContact O-N 2.94Å; G56-M65 CarbonylContact C-O 3.19Å; G56-M65 WeakPolarHBondContact CA-O 3.29Å; G56-G198 WeakPolarHBondContact CA-O 3.02Å
57	F	98.9	Very high	94.9	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	144.9	178.7	53.5	-81.5	0	0	0	112.9	Y38 L59 V64 M65 V133 L135 P200 A208 V211 I230	Y38-F57 HydrophobicContact CD2-CB 4.13Å; Y38-F57 CarbonylContact O-C 3.54Å; Y38-F57 WeakPolarHBondContact O-CA 3.09Å; F57-L59 HydrophobicContact CD2-CD2 3.74Å; F57-L59 HydrophobicContact CE2-CD2 3.64Å; F57-V64 CarbonylContact O-C 3.58Å; F57-V64 WeakPolarHBondContact O-CA 3.45Å; F57-M65 HydrophobicContact CD1-CB 4.36Å; F57-M65 HydrophobicContact CD2-CB 4.16Å; F57-M65 HydrophobicContact CE1-CB 3.95Å; F57-M65 HydrophobicContact CE1-CG 4.01Å; F57-M65 HydrophobicContact CE1-SD 4.17Å; F57-M65 HydrophobicContact CE2-CB 3.75Å; F57-M65 HydrophobicContact CE2-CG 4.19Å; F57-M65 HydrophobicContact CE2-SD 3.81Å; F57-M65 HydrophobicContact CG-CB 4.48Å; F57-M65 HydrophobicContact CZ-CB 3.66Å; F57-M65 HydrophobicContact CZ-CG 3.66Å; F57-M65 HydrophobicContact CZ-SD 3.31Å; F57-M65 WeakPolarHBondContact CZ-SD 3.5Å; F57-M65 PolarHBondContact N-O 3.06Å; F57-M65 PolarHBondContact O-N 2.7Å; F57-V133 HydrophobicContact CB-CG1 4.33Å; F57-V133 HydrophobicContact CD2-CG1 3.46Å; F57-V133 VanDerWaalsContact CD2-CG1 3.46Å; F57-V133 HydrophobicContact CE2-CG1 4.16Å; F57-V133 HydrophobicContact CG-CG1 4.3Å; F57-L135 HydrophobicContact CE2-CD2 3.95Å; F57-P200 HydrophobicContact CB-CB 4.18Å; F57-P200 HydrophobicContact CB-CG 3.94Å; F57-P200 HydrophobicContact CD1-CB 3.48Å; F57-P200 VanDerWaalsContact CD1-CB 3.48Å; F57-P200 HydrophobicContact CD1-CG 3.91Å; F57-P200 HydrophobicContact CD2-CB 4.28Å; F57-P200 HydrophobicContact CE1-CB 3.77Å; F57-P200 HydrophobicContact CE2-CB 4.5Å; F57-P200 HydrophobicContact CG-CB 3.73Å; F57-P200 HydrophobicContact CG-CG 4.04Å; F57-P200 HydrophobicContact CZ-CB 4.25Å; F57-A208 HydrophobicContact CD2-CB 4.45Å; F57-A208 HydrophobicContact CE2-CB 3.91Å; F57-A208 HydrophobicContact CZ-CB 4.43Å; F57-V211 HydrophobicContact CE1-CG2 4.04Å; F57-V211 HydrophobicContact CZ-CG2 3.98Å; F57-I230 HydrophobicContact CE2-CD1 4.27Å; F57-I230 HydrophobicContact CZ-CD1 3.8Å
58	L	98.9	Very high	95.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	124.8	-175.6	-166.7	70.5	0	0	0	111	Y38 N60 V64 L79 L120 A124 V130 P132 V133	Y38-L58 PolarHBondContact O-N 3.06Å; L58-N60 WeakPolarHBondContact CD1-O 3.41Å; L58-N60 VanDerWaalsContact CG-O 3.27Å; L58-N60 WeakPolarHBondContact CG-O 2.73Å; L58-V64 HydrophobicContact CD1-CG2 3.8Å; L58-L79 HydrophobicContact CB-CD2 4.47Å; L58-L79 HydrophobicContact CD1-CD1 3.99Å; L58-L79 HydrophobicContact CD1-CD2 4.31Å; L58-L79 HydrophobicContact CD2-CD1 4.48Å; L58-L120 HydrophobicContact CD1-CD1 4.29Å; L58-A124 HydrophobicContact CD1-CB 4.18Å; L58-A124 HydrophobicContact CD2-CB 4.25Å; L58-V130 HydrophobicContact CD2-CG1 3.7Å; L58-P132 HydrophobicContact CD2-CG 4.2Å; L58-P132 HydrophobicContact CG-CG 4.47Å; L58-P132 VanDerWaalsContact O-CA 3.28Å; L58-P132 WeakPolarHBondContact O-CA 3.45Å; L58-V133 PolarHBondContact O-N 3.32Å
59	L	98.6	Very high	96	Very high	23 Å²	23	28.6 Å²	28.6	12%	0.12	15%	0.149	C	C	.	.	S	Bend	trans	-95.4	-35.5	177.3	-57.5	-170.8	0	0	0	112.7	F57 F63 M65 L117 P132 L135 I237 M241	F57-L59 HydrophobicContact CD2-CD2 3.74Å; F57-L59 HydrophobicContact CE2-CD2 3.64Å; L59-F63 HydrophobicContact CB-CB 4.42Å; L59-F63 PolarHBondContact N-O 3.05Å; L59-M65 HydrophobicContact CD1-CB 4.05Å; L59-M65 HydrophobicContact CD1-CE 3.71Å; L59-M65 HydrophobicContact CD2-CB 3.87Å; L59-M65 HydrophobicContact CD2-CE 4.08Å; L59-M65 HydrophobicContact CG-CB 4Å; L59-M65 HydrophobicContact CG-CE 4.47Å; L59-L117 HydrophobicContact CD1-CD2 3.48Å; L59-L117 VanDerWaalsContact CD1-CD2 3.48Å; L59-P132 WeakPolarHBondContact O-CB 3.44Å; L59-L135 HydrophobicContact CD1-CD1 4.44Å; L59-L135 HydrophobicContact CD2-CD1 4.22Å; L59-L135 HydrophobicContact CD2-CD2 3.65Å; L59-L135 HydrophobicContact CD2-CG 4.18Å; L59-I237 HydrophobicContact CD1-CG2 4.4Å; L59-M241 HydrophobicContact CD1-SD 4.12Å
60	N	98.4	Very high	96.5	Very high	36 Å²	36	23 Å²	23	19%	0.193	12%	0.119	C	C	.	.	S	Bend	trans	-162.1	-171.4	172.1	63.6	17.1	0	0	0	108.4	L58 D62 F63 M241	L58-N60 WeakPolarHBondContact CD1-O 3.41Å; L58-N60 VanDerWaalsContact CG-O 3.27Å; L58-N60 WeakPolarHBondContact CG-O 2.73Å; N60-D62 PolarHBondContact O-N 2.78Å; N60-D62 VanDerWaalsContact O-N 3.14Å; N60-D62 PolarHBondContact OD1-N 3.11Å; N60-F63 WeakPolarHBondContact OD1-CD2 3.39Å; N60-F63 PolarHBondContact OD1-N 2.99Å; N60-M241 WeakPolarHBondContact ND2-CE 3.5Å
61	E	98.6	Very high	96.9	Very high	75 Å²	75	23 Å²	23	35%	0.35	12%	0.119	S	C	.	.	S	Bend	trans	-62.9	-21.4	-178.5	-59.9	93.3	159.2	0	0	114.1	R123 A124 V126	E61-R123 HydrophobicContact CB-CB 4.11Å; E61-R123 HydrophobicContact CB-CG 4.08Å; E61-R123 CarbonylContact O-C 3.46Å; E61-R123 VanDerWaalsContact O-CA 3.29Å; E61-R123 WeakPolarHBondContact O-CA 3.3Å; E61-A124 WeakPolarHBondContact CG-O 3.25Å; E61-A124 PolarHBondContact O-N 2.89Å; E61-V126 HydrophobicContact CG-CG2 3.77Å
62	D	98.6	Very high	97.3	Very high	18 Å²	18	20 Å²	20	10%	0.096	10%	0.101	C	C	.	.	S	Bend	trans	-102.9	-22.7	-173.1	-65	-64.9	0	0	0	113.4	N60 L120 R123 L245	N60-D62 PolarHBondContact O-N 2.78Å; N60-D62 VanDerWaalsContact O-N 3.14Å; N60-D62 PolarHBondContact OD1-N 3.11Å; D62-L120 PolarHBondContact O-N 3.27Å; D62-R123 WeakPolarHBondContact OD1-CG 3.49Å; D62-R123 IonicContact OD1-CZ 3.64Å; D62-R123 IonicContact OD1-NE 3.11Å; D62-R123 PolarHBondContact OD1-NE 3.04Å; D62-R123 IonicContact OD1-NH2 3.03Å; D62-R123 IonicContact OD2-CZ 2.72Å; D62-R123 IonicContact OD2-NE 3.73Å; D62-R123 PolarHBondContact OD2-NE 2.91Å; D62-R123 VanDerWaalsContact OD2-NE 3.11Å; D62-R123 IonicContact OD2-NH2 3.79Å; D62-R123 PolarHBondContact OD2-NH2 3.47Å; D62-L245 HydrophobicContact CB-CD2 4.39Å
63	F	98.8	Very high	97.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.4	-168.1	-68.4	-88.4	0	0	0	114.4	L59 N60 L117 L118 K119 M241 A244 L245	L59-F63 HydrophobicContact CB-CB 4.42Å; L59-F63 PolarHBondContact N-O 3.05Å; N60-F63 WeakPolarHBondContact OD1-CD2 3.39Å; N60-F63 PolarHBondContact OD1-N 2.99Å; F63-L117 HydrophobicContact CD1-CB 4.42Å; F63-L118 WeakPolarHBondContact CA-O 3.3Å; F63-K119 HydrophobicContact CD1-CB 4.17Å; F63-K119 HydrophobicContact CE1-CB 3.7Å; F63-K119 HydrophobicContact CE1-CG 4.06Å; F63-K119 HydrophobicContact CZ-CB 4.26Å; F63-K119 HydrophobicContact CZ-CD 4.37Å; F63-K119 HydrophobicContact CZ-CG 4.11Å; F63-M241 HydrophobicContact CB-CE 4.19Å; F63-M241 HydrophobicContact CD1-CG 4.08Å; F63-M241 HydrophobicContact CD2-CB 4.37Å; F63-M241 HydrophobicContact CD2-CE 3.69Å; F63-M241 HydrophobicContact CD2-CG 4.02Å; F63-M241 HydrophobicContact CE1-CG 4.2Å; F63-M241 HydrophobicContact CE2-CB 4.07Å; F63-M241 HydrophobicContact CE2-CE 4.37Å; F63-M241 HydrophobicContact CE2-CG 4.15Å; F63-M241 HydrophobicContact CG-CE 4.08Å; F63-M241 HydrophobicContact CG-CG 3.99Å; F63-M241 HydrophobicContact CZ-CB 4.19Å; F63-M241 HydrophobicContact CZ-CG 4.25Å; F63-A244 HydrophobicContact CE1-CB 3.95Å; F63-A244 HydrophobicContact CZ-CB 3.7Å; F63-L245 HydrophobicContact CE2-CD1 4.17Å; F63-L245 HydrophobicContact CE2-CD2 4.01Å; F63-L245 HydrophobicContact CE2-CG 3.9Å; F63-L245 HydrophobicContact CZ-CD2 4.46Å; F63-L245 HydrophobicContact CZ-CG 4.25Å
64	V	98.9	Very high	97.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.3	166.5	167.7	0	0	0	0	109.4	A40 I42 F57 L58 V77 L79 L118 L120	A40-V64 HydrophobicContact CB-CG1 3.95Å; A40-V64 HydrophobicContact CB-CG2 4.34Å; I42-V64 HydrophobicContact CD1-CG1 4.09Å; F57-V64 CarbonylContact O-C 3.58Å; F57-V64 WeakPolarHBondContact O-CA 3.45Å; L58-V64 HydrophobicContact CD1-CG2 3.8Å; V64-V77 HydrophobicContact CG2-CG1 4.03Å; V64-L79 HydrophobicContact CG2-CD2 4.47Å; V64-L118 HydrophobicContact CB-CB 4.41Å; V64-L118 PolarHBondContact N-O 3.37Å; V64-L118 PolarHBondContact O-N 2.91Å; V64-L120 HydrophobicContact CG2-CD1 4.39Å; V64-L120 HydrophobicContact CG2-CD2 4.11Å
65	M	98.9	Very high	97.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	142.8	169.3	-171.1	173.9	-65.1	0	0	110.5	G56 F57 L59 I115 L117 L135 V211 I230 I237	G56-M65 CarbonylContact C-O 3.19Å; G56-M65 WeakPolarHBondContact CA-O 3.29Å; F57-M65 HydrophobicContact CD1-CB 4.36Å; F57-M65 HydrophobicContact CD2-CB 4.16Å; F57-M65 HydrophobicContact CE1-CB 3.95Å; F57-M65 HydrophobicContact CE1-CG 4.01Å; F57-M65 HydrophobicContact CE1-SD 4.17Å; F57-M65 HydrophobicContact CE2-CB 3.75Å; F57-M65 HydrophobicContact CE2-CG 4.19Å; F57-M65 HydrophobicContact CE2-SD 3.81Å; F57-M65 HydrophobicContact CG-CB 4.48Å; F57-M65 HydrophobicContact CZ-CB 3.66Å; F57-M65 HydrophobicContact CZ-CG 3.66Å; F57-M65 HydrophobicContact CZ-SD 3.31Å; F57-M65 WeakPolarHBondContact CZ-SD 3.5Å; F57-M65 PolarHBondContact N-O 3.06Å; F57-M65 PolarHBondContact O-N 2.7Å; L59-M65 HydrophobicContact CD1-CB 4.05Å; L59-M65 HydrophobicContact CD1-CE 3.71Å; L59-M65 HydrophobicContact CD2-CB 3.87Å; L59-M65 HydrophobicContact CD2-CE 4.08Å; L59-M65 HydrophobicContact CG-CB 4Å; L59-M65 HydrophobicContact CG-CE 4.47Å; M65-I115 HydrophobicContact CE-CD1 4.02Å; M65-I115 HydrophobicContact CG-CD1 4.49Å; M65-I115 HydrophobicContact CG-CG1 4.22Å; M65-I115 HydrophobicContact SD-CD1 3.72Å; M65-I115 HydrophobicContact SD-CG1 4.08Å; M65-L117 HydrophobicContact CB-CD2 4.24Å; M65-L117 HydrophobicContact CE-CD2 4.05Å; M65-L117 HydrophobicContact CG-CD2 4.37Å; M65-L135 HydrophobicContact CE-CD1 3.91Å; M65-L135 HydrophobicContact CE-CD2 4.32Å; M65-V211 HydrophobicContact CG-CG2 4.09Å; M65-V211 HydrophobicContact SD-CG2 3.59Å; M65-V211 VanDerWaalsContact SD-CG2 3.59Å; M65-I230 HydrophobicContact SD-CD1 4.03Å; M65-I230 HydrophobicContact SD-CG1 4.15Å; M65-I237 HydrophobicContact CE-CD1 3.62Å; M65-I237 HydrophobicContact CE-CG1 3.95Å; M65-I237 HydrophobicContact CE-CG2 4.38Å
66	T	98.8	Very high	97.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	-175.4	172.5	-171.9	0	0	0	0	109.3	I42 D55 C70 M116 L118	I42-T66 HydrophobicContact CD1-CG2 4.23Å; D55-T66 PolarHBondContact O-OG1 2.98Å; T66-C70 HydrophobicContact CG2-CB 4.38Å; T66-M116 HydrophobicContact CG2-CB 4.18Å; T66-M116 HydrophobicContact CG2-CE 3.48Å; T66-M116 VanDerWaalsContact CG2-CE 3.48Å; T66-M116 HydrophobicContact CG2-CG 4.36Å; T66-M116 PolarHBondContact N-O 3.19Å; T66-M116 PolarHBondContact O-N 3.02Å; T66-M116 VanDerWaalsContact O-O 3.08Å; T66-L118 HydrophobicContact CG2-CD1 3.95Å; T66-L118 HydrophobicContact CG2-CG 4.04Å
67	A	98.1	Very high	97.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.			trans	-83.3	148.4	175.8	0	0	0	0	0	111.2	H69 C70 G198 V211	A67-H69 VanDerWaalsContact C-N 3.3Å; A67-H69 VanDerWaalsContact CB-CE1 3.47Å; A67-H69 WeakPolarHBondContact CB-CE1 3.21Å; A67-H69 WeakPolarHBondContact CB-ND1 3.4Å; A67-H69 PolarHBondContact O-N 2.8Å; A67-C70 WeakPolarHBondContact O-CB 3.29Å; A67-C70 PolarHBondContact O-N 3.31Å; A67-G198 VanDerWaalsContact N-CA 3.33Å; A67-V211 HydrophobicContact CB-CG1 4.13Å
68	A	97.6	Very high	97.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-65.4	-33	178.3	0	0	0	0	0	112.8	C70 Q71 P102 Y106 D114 M116	A68-C70 PolarHBondContact O-N 2.86Å; A68-Q71 VanDerWaalsContact O-CB 3.26Å; A68-Q71 WeakPolarHBondContact O-CB 3.48Å; A68-Q71 PolarHBondContact O-N 2.81Å; A68-P102 HydrophobicContact CB-CB 4.12Å; A68-Y106 HydrophobicContact CB-CD1 3.52Å; A68-Y106 HydrophobicContact CB-CD2 3.67Å; A68-Y106 HydrophobicContact CB-CE1 3.95Å; A68-Y106 HydrophobicContact CB-CE2 4.09Å; A68-Y106 HydrophobicContact CB-CG 3.36Å; A68-D114 WeakPolarHBondContact CA-OD1 3.47Å; A68-D114 WeakPolarHBondContact CB-OD1 3.05Å; A68-D114 PolarHBondContact N-OD1 2.85Å; A68-M116 HydrophobicContact CB-CB 4.32Å
69	H	95	Very high	97.3	Very high	44 Å²	44	27.9 Å²	27.9	20%	0.204	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-64.2	-12.3	174	80.2	-102.3	0	0	0	113.2	A67 Q71 Y106 F111 D114 S197 S213	A67-H69 VanDerWaalsContact C-N 3.3Å; A67-H69 VanDerWaalsContact CB-CE1 3.47Å; A67-H69 WeakPolarHBondContact CB-CE1 3.21Å; A67-H69 WeakPolarHBondContact CB-ND1 3.4Å; A67-H69 PolarHBondContact O-N 2.8Å; H69-Q71 PolarHBondContact O-N 3.04Å; H69-Y106 VanDerWaalsContact CA-OH 3.31Å; H69-Y106 WeakPolarHBondContact CA-OH 3.44Å; H69-Y106 HydrophobicContact CB-CE2 4.43Å; H69-Y106 WeakPolarHBondContact CB-OH 3.5Å; H69-F111 HydrophobicContact CB-CE1 4.34Å; H69-D114 IonicContact CE1-OD2 3.33Å; H69-D114 IonicContact CG-OD1 3.64Å; H69-D114 IonicContact CG-OD2 3.29Å; H69-D114 PolarHBondContact N-OD1 2.9Å; H69-D114 IonicContact ND1-OD1 2.55Å; H69-D114 PolarHBondContact ND1-OD1 3.03Å; H69-D114 IonicContact ND1-OD2 3.86Å; H69-D114 PolarHBondContact ND1-OD2 3.13Å; H69-S197 WeakPolarHBondContact NE2-CB 3.34Å; H69-S197 PolarHBondContact NE2-OG 3.4Å; H69-S213 PolarHBondContact CE1-O 2.91Å
70	C	95.8	Very high	97.2	Very high	1 Å²	1	27 Å²	27	1%	0.007	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-75.9	-1	172.2	-67.3	0	0	0	0	113.8	K44 C54 T66 A67 A68 M116	K44-C70 WeakPolarHBondContact CD-O 3.35Å; C54-C70 HydrophobicContact CB-CB 3.69Å; C54-C70 WeakPolarHBondContact CB-SG 3.33Å; C54-C70 WeakPolarHBondContact SG-CB 3.24Å; C54-C70 CovalentContact SG-SG 2.03Å; C54-C70 PolarHBondContact SG-SG 2.86Å; T66-C70 HydrophobicContact CG2-CB 4.38Å; A67-C70 WeakPolarHBondContact O-CB 3.29Å; A67-C70 PolarHBondContact O-N 3.31Å; A68-C70 PolarHBondContact O-N 2.86Å; C70-M116 HydrophobicContact CB-CE 4.3Å
71	Q	95.1	Very high	97.1	Very high	110 Å²	110	25.7 Å²	25.7	51%	0.514	13%	0.132	S	C	.	.			trans	-53.2	138.8	-179.8	-170.7	176.1	-1.7	0	0	113.3	A68 H69 Y75 M116	A68-Q71 VanDerWaalsContact O-CB 3.26Å; A68-Q71 WeakPolarHBondContact O-CB 3.48Å; A68-Q71 PolarHBondContact O-N 2.81Å; H69-Q71 PolarHBondContact O-N 3.04Å; Q71-Y75 VanDerWaalsContact CA-OH 3.26Å; Q71-Y75 WeakPolarHBondContact CA-OH 3.43Å; Q71-M116 HydrophobicContact CB-SD 4.41Å
72	A	95.2	Very high	96.9	Very high	19 Å²	19	24.4 Å²	24.4	16%	0.157	13%	0.128	C	C	.	.			trans	-156.4	173.4	-175.4	0	0	0	0	0	111.1	K44 N45 Y75	K44-A72 HydrophobicContact CB-CB 3.65Å; K44-A72 HydrophobicContact CD-CB 4.14Å; K44-A72 HydrophobicContact CG-CB 4.25Å; N45-A72 WeakPolarHBondContact O-CB 3.38Å; A72-Y75 HydrophobicContact CB-CD1 4.37Å; A72-Y75 HydrophobicContact CB-CE1 3.77Å; A72-Y75 PolarHBondContact N-OH 3.33Å; A72-Y75 PolarHBondContact O-OH 2.69Å
73	N	92.4	Very high	96.7	Very high	110 Å²	110	24.4 Å²	24.4	59%	0.588	13%	0.128	S	C	*	.	S	Bend	trans	-71.4	-39	-179.4	-75.6	-9.4	0	0	0	112.4	N45	N45-N73 PolarHBondContact O-N 2.87Å; N45-N73 VanDerWaalsContact O-N 3.15Å
74	N	94.1	Very high	96.4	Very high	69 Å²	69	25.3 Å²	25.3	37%	0.369	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	160.9	177.6	63.3	62.5	0	0	0	110.5	K44 N45	K44-N74 WeakPolarHBondContact CA-O 3.37Å; N45-N74 WeakPolarHBondContact CB-OD1 3.35Å; N45-N74 PolarHBondContact N-O 3.35Å; N45-N74 VanDerWaalsContact N-O 3.13Å; N45-N74 PolarHBondContact ND2-OD1 3.49Å
75	Y	96.7	Very high	96.1	Very high	13 Å²	13	32 Å²	32	5%	0.051	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.7	-175.8	-45.7	-98.6	0	0	0	110.3	I42 R43 K44 Q71 A72 V97 A100 M116 L118	I42-Y75 HydrophobicContact CG2-CD1 3.92Å; R43-Y75 CarbonylContact O-C 3.51Å; R43-Y75 VanDerWaalsContact O-CA 3.29Å; R43-Y75 WeakPolarHBondContact O-CA 3.4Å; K44-Y75 HydrophobicContact CB-CD1 3.89Å; K44-Y75 HydrophobicContact CB-CE1 4.29Å; Q71-Y75 VanDerWaalsContact CA-OH 3.26Å; Q71-Y75 WeakPolarHBondContact CA-OH 3.43Å; A72-Y75 HydrophobicContact CB-CD1 4.37Å; A72-Y75 HydrophobicContact CB-CE1 3.77Å; A72-Y75 PolarHBondContact N-OH 3.33Å; A72-Y75 PolarHBondContact O-OH 2.69Å; Y75-V97 HydrophobicContact CD2-CB 3.88Å; Y75-V97 HydrophobicContact CD2-CG1 4.01Å; Y75-V97 HydrophobicContact CD2-CG2 4.11Å; Y75-V97 HydrophobicContact CG-CB 4.36Å; Y75-V97 HydrophobicContact CG-CG2 4.12Å; Y75-A100 HydrophobicContact CE2-CB 4.05Å; Y75-M116 HydrophobicContact CE1-CE 4.34Å; Y75-L118 HydrophobicContact CD2-CD2 4.48Å; Y75-L118 HydrophobicContact CE1-CD2 4.42Å; Y75-L118 HydrophobicContact CE2-CD2 4.27Å
76	T	97.6	Very high	95.8	Very high	34 Å²	34	37.5 Å²	37.5	21%	0.209	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119	159.8	-52.3	0	0	0	0	107.8	R43 Y78 H94 R95	R43-T76 PolarHBondContact N-O 3.1Å; R43-T76 PolarHBondContact O-N 2.86Å; T76-Y78 HydrophobicContact CG2-CD2 4.21Å; T76-Y78 HydrophobicContact CG2-CE1 4.26Å; T76-Y78 HydrophobicContact CG2-CE2 3.52Å; T76-H94 HydrophobicContact CG2-CB 4.23Å; T76-R95 WeakPolarHBondContact CA-O 3.31Å
77	V	98.4	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.7	178.6	174.8	0	0	0	0	108	A40 I42 V64 L79 H94 R95 V97 L118 L120	A40-V77 HydrophobicContact CB-CG1 4.11Å; I42-V77 HydrophobicContact CG1-CG2 4.39Å; V64-V77 HydrophobicContact CG2-CG1 4.03Å; V77-L79 HydrophobicContact CG1-CD2 4.06Å; V77-L79 HydrophobicContact CG1-CG 4.14Å; V77-H94 CarbonylContact O-C 3.59Å; V77-H94 VanDerWaalsContact O-CA 3.29Å; V77-H94 WeakPolarHBondContact O-CA 3.45Å; V77-R95 PolarHBondContact N-O 2.91Å; V77-R95 PolarHBondContact O-N 2.84Å; V77-V97 HydrophobicContact CG2-CG2 3.83Å; V77-L118 HydrophobicContact CG2-CD1 4.34Å; V77-L120 HydrophobicContact CB-CD2 4.04Å; V77-L120 HydrophobicContact CG1-CD2 4.11Å; V77-L120 HydrophobicContact CG2-CD2 3.91Å
78	Y	98.6	Very high	95.1	Very high	32 Å²	32	49.3 Å²	49.3	13%	0.125	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.8	174.3	-60	-97.6	0	0	0	110	A40 F41 R43 T76 L87 I92 Q93 H94	A40-Y78 WeakPolarHBondContact CA-O 3.35Å; F41-Y78 AromaticContact CD1-CD2 3.93Å; F41-Y78 HydrophobicContact CD1-CD2 3.93Å; F41-Y78 PolarHBondContact N-O 2.81Å; F41-Y78 PolarHBondContact O-N 2.84Å; R43-Y78 HydrophobicContact CB-CE2 4.07Å; T76-Y78 HydrophobicContact CG2-CD2 4.21Å; T76-Y78 HydrophobicContact CG2-CE1 4.26Å; T76-Y78 HydrophobicContact CG2-CE2 3.52Å; Y78-L87 HydrophobicContact CD1-CB 4.07Å; Y78-L87 HydrophobicContact CD1-CD1 4.39Å; Y78-L87 HydrophobicContact CD1-CD2 3.73Å; Y78-L87 HydrophobicContact CD1-CG 4.26Å; Y78-L87 HydrophobicContact CD2-CD1 4.43Å; Y78-L87 HydrophobicContact CD2-CD2 4.42Å; Y78-L87 HydrophobicContact CE1-CB 3.96Å; Y78-L87 HydrophobicContact CE1-CD1 4.28Å; Y78-L87 HydrophobicContact CE1-CD2 4.37Å; Y78-L87 HydrophobicContact CE1-CG 4.42Å; Y78-L87 HydrophobicContact CE2-CD1 4.34Å; Y78-L87 HydrophobicContact CG-CD1 4.46Å; Y78-L87 HydrophobicContact CG-CD2 3.76Å; Y78-I92 HydrophobicContact CD1-CG2 4.09Å; Y78-Q93 CarbonylContact C-O 3.57Å; Y78-Q93 VanDerWaalsContact CA-O 3.31Å; Y78-Q93 WeakPolarHBondContact CA-O 3.27Å; Y78-H94 HydrophobicContact CD1-CB 3.83Å; Y78-H94 HydrophobicContact CE1-CB 3.81Å
79	L	98.6	Very high	94.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.1	-178.3	-57.7	169.7	0	0	0	110.4	A40 L58 V64 V77 V81 Q93 L120 A124 V130	A40-L79 HydrophobicContact CB-CD2 3.66Å; L58-L79 HydrophobicContact CB-CD2 4.47Å; L58-L79 HydrophobicContact CD1-CD1 3.99Å; L58-L79 HydrophobicContact CD1-CD2 4.31Å; L58-L79 HydrophobicContact CD2-CD1 4.48Å; V64-L79 HydrophobicContact CG2-CD2 4.47Å; V77-L79 HydrophobicContact CG1-CD2 4.06Å; V77-L79 HydrophobicContact CG1-CG 4.14Å; L79-V81 VanDerWaalsContact C-N 3.28Å; L79-Q93 HydrophobicContact CB-CB 4.3Å; L79-Q93 PolarHBondContact N-O 2.85Å; L79-Q93 PolarHBondContact O-N 2.85Å; L79-L120 HydrophobicContact CD1-CD1 4.47Å; L79-A124 HydrophobicContact CD1-CB 3.54Å; L79-V130 HydrophobicContact CB-CG1 3.99Å; L79-V130 HydrophobicContact CB-CG2 3.85Å; L79-V130 HydrophobicContact CD1-CG1 4.05Å
80	G	97.8	Very high	94.5	Very high	6 Å²	6	59.3 Å²	59.3	6%	0.062	29%	0.289	C	S	.	.	S	Bend	trans	76.5	19.4	-176.8	0	0	0	0	0	113	F129	G80-F129 WeakPolarHBondContact CA-O 3.28Å
81	V	96.4	Very high	94.3	Very high	7 Å²	7	65.4 Å²	65.4	4%	0.042	32%	0.315	C	S	.	.			trans	-78.8	130.2	178.2	-171.6	0	0	0	0	108.9	F41 L79 T84 L87 I92 W152	F41-V81 HydrophobicContact CB-CG2 4.4Å; L79-V81 VanDerWaalsContact C-N 3.28Å; V81-T84 HydrophobicContact CG1-CG2 4.18Å; V81-L87 HydrophobicContact CB-CD2 4.46Å; V81-L87 HydrophobicContact CG1-CD2 3.86Å; V81-L87 HydrophobicContact CG2-CD2 3.67Å; V81-I92 HydrophobicContact CG2-CD1 4.27Å; V81-I92 HydrophobicContact CG2-CG2 3.96Å; V81-W152 HydrophobicContact CB-CH2 4.12Å; V81-W152 HydrophobicContact CB-CZ2 3.76Å; V81-W152 HydrophobicContact CG1-CZ2 3.82Å; V81-W152 VanDerWaalsContact O-CZ2 3.3Å; V81-W152 WeakPolarHBondContact O-CZ2 3.49Å
82	D	92.8	Very high	94.4	Very high	48 Å²	48	60.8 Å²	60.8	26%	0.257	29%	0.294	S	S	.	.	S	Bend	trans	-110.1	-34.6	162.6	66.2	-44.3	0	0	0	110	H34 K164 L165	H34-D82 IonicContact CE1-OD1 3.98Å; D82-K164 CarbonylContact O-C 3.6Å; D82-K164 WeakPolarHBondContact O-CA 3.01Å; D82-L165 PolarHBondContact O-N 2.73Å
83	N	94.6	Very high	94.5	Very high	19 Å²	19	60.8 Å²	60.8	10%	0.102	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-136.5	121.6	179.4	-175.8	-28.3	0	0	0	112.6	K85 F86 D163	N83-K85 PolarHBondContact O-N 3.13Å; N83-K85 WeakPolarHBondContact OD1-CB 3.27Å; N83-K85 PolarHBondContact OD1-N 3.11Å; N83-F86 HydrophobicContact CB-CD2 3.81Å; N83-F86 HydrophobicContact CB-CE2 4.17Å; N83-F86 PolarHBondContact O-N 3.02Å; N83-F86 VanDerWaalsContact O-N 3.08Å; N83-D163 CarbonylContact C-O 3.6Å; N83-D163 WeakPolarHBondContact CA-O 3.28Å; N83-D163 PolarHBondContact OD1-O 2.93Å
84	T	93.1	Very high	94.7	Very high	19 Å²	19	61.1 Å²	61.1	12%	0.117	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-70.5	-11.2	-175.6	62.1	0	0	0	0	113.9	F41 V81 F86 L87 W152 D163	F41-T84 HydrophobicContact CD1-CG2 4.49Å; F41-T84 HydrophobicContact CD2-CG2 3.98Å; F41-T84 HydrophobicContact CE1-CG2 4.45Å; F41-T84 HydrophobicContact CE2-CG2 3.93Å; F41-T84 HydrophobicContact CG-CG2 4.25Å; F41-T84 HydrophobicContact CZ-CG2 4.16Å; V81-T84 HydrophobicContact CG1-CG2 4.18Å; T84-F86 PolarHBondContact O-N 2.86Å; T84-L87 VanDerWaalsContact O-CG 3.3Å; T84-L87 WeakPolarHBondContact O-CG 3.06Å; T84-W152 HydrophobicContact CG2-CB 4.39Å; T84-W152 HydrophobicContact CG2-CD2 4.34Å; T84-W152 HydrophobicContact CG2-CG 3.85Å; T84-D163 PolarHBondContact N-O 2.03Å; T84-D163 WeakPolarHBondContact OG1-CA 3.1Å; T84-D163 PolarHBondContact OG1-O 3.06Å
85	K	92.9	Very high	94.9	Very high	140 Å²	140	59.8 Å²	59.8	61%	0.609	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-69.1	-21	168.8	-74.5	176.3	162.4	157.3	0	113	N83 D163	N83-K85 PolarHBondContact O-N 3.13Å; N83-K85 WeakPolarHBondContact OD1-CB 3.27Å; N83-K85 PolarHBondContact OD1-N 3.11Å; K85-D163 HydrophobicContact CD-CB 4.28Å; K85-D163 WeakPolarHBondContact CD-OD2 3.18Å; K85-D163 VanDerWaalsContact CE-CG 3.4Å; K85-D163 WeakPolarHBondContact CE-OD1 3.48Å; K85-D163 WeakPolarHBondContact CE-OD2 3.25Å; K85-D163 HydrophobicContact CG-CB 4.31Å; K85-D163 IonicContact NZ-OD1 3.99Å; K85-D163 IonicContact NZ-OD2 2.65Å; K85-D163 PolarHBondContact NZ-OD2 3.22Å
86	F	92.6	Very high	94.9	Very high	115 Å²	115	63 Å²	63	50%	0.504	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-108.1	21.1	-174.1	-54.8	-57	0	0	0	113.7	N83 T84 K88 N89 I92	N83-F86 HydrophobicContact CB-CD2 3.81Å; N83-F86 HydrophobicContact CB-CE2 4.17Å; N83-F86 PolarHBondContact O-N 3.02Å; N83-F86 VanDerWaalsContact O-N 3.08Å; T84-F86 PolarHBondContact O-N 2.86Å; F86-K88 PolarHBondContact O-N 2.87Å; F86-N89 HydrophobicContact CB-CB 4.38Å; F86-N89 WeakPolarHBondContact O-CB 3.22Å; F86-N89 PolarHBondContact O-N 2.7Å; F86-I92 VanDerWaalsContact O-CD1 3.27Å; F86-I92 WeakPolarHBondContact O-CD1 3.44Å
87	L	92.4	Very high	95	Very high	33 Å²	33	62.7 Å²	62.7	17%	0.173	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-17.5	-179.3	-67.5	176.8	0	0	0	115.2	F41 Y78 V81 T84 I92	F41-L87 HydrophobicContact CD1-CD1 4.1Å; F41-L87 HydrophobicContact CD1-CD2 4.37Å; F41-L87 HydrophobicContact CE1-CD1 3.91Å; Y78-L87 HydrophobicContact CD1-CB 4.07Å; Y78-L87 HydrophobicContact CD1-CD1 4.39Å; Y78-L87 HydrophobicContact CD1-CD2 3.73Å; Y78-L87 HydrophobicContact CD1-CG 4.26Å; Y78-L87 HydrophobicContact CD2-CD1 4.43Å; Y78-L87 HydrophobicContact CD2-CD2 4.42Å; Y78-L87 HydrophobicContact CE1-CB 3.96Å; Y78-L87 HydrophobicContact CE1-CD1 4.28Å; Y78-L87 HydrophobicContact CE1-CD2 4.37Å; Y78-L87 HydrophobicContact CE1-CG 4.42Å; Y78-L87 HydrophobicContact CE2-CD1 4.34Å; Y78-L87 HydrophobicContact CG-CD1 4.46Å; Y78-L87 HydrophobicContact CG-CD2 3.76Å; V81-L87 HydrophobicContact CB-CD2 4.46Å; V81-L87 HydrophobicContact CG1-CD2 3.86Å; V81-L87 HydrophobicContact CG2-CD2 3.67Å; T84-L87 VanDerWaalsContact O-CG 3.3Å; T84-L87 WeakPolarHBondContact O-CG 3.06Å; L87-I92 HydrophobicContact CD2-CD1 4.42Å; L87-I92 HydrophobicContact CD2-CG2 4.49Å
88	K	90.4	Very high	94.9	Very high	216 Å²	216	67.1 Å²	67.1	94%	0.939	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-0.7	174.9	-62.2	-175.7	-179.8	-179.4	0	114.1	F86	F86-K88 PolarHBondContact O-N 2.87Å
89	N	91.8	Very high	94.9	Very high	72 Å²	72	70.7 Å²	70.7	39%	0.385	33%	0.334	S	S	.	.	S	Bend	trans	-65.8	136	176.8	-171.9	-55.3	0	0	0	110	F86 K91 I92	F86-N89 HydrophobicContact CB-CB 4.38Å; F86-N89 WeakPolarHBondContact O-CB 3.22Å; F86-N89 PolarHBondContact O-N 2.7Å; N89-K91 PolarHBondContact O-N 2.72Å; N89-K91 VanDerWaalsContact O-N 3.14Å; N89-K91 WeakPolarHBondContact OD1-CB 3.16Å; N89-K91 WeakPolarHBondContact OD1-CG 3.04Å; N89-K91 PolarHBondContact OD1-N 3.27Å; N89-I92 HydrophobicContact CB-CD1 4.36Å; N89-I92 HydrophobicContact CB-CG1 4.41Å; N89-I92 PolarHBondContact O-N 2.9Å
90	E	88.1	Confident	94.9	Very high	183 Å²	183	72 Å²	72	86%	0.855	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-23	-179.5	65.5	-169.2	172.7	0	0	114.4	I92	E90-I92 VanDerWaalsContact C-N 3.32Å
91	K	90.3	Very high	94.9	Very high	129 Å²	129	73.6 Å²	73.6	56%	0.561	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-20.7	176	-63.1	177.7	-178.9	178.4	0	112.8	N89	N89-K91 PolarHBondContact O-N 2.72Å; N89-K91 VanDerWaalsContact O-N 3.14Å; N89-K91 WeakPolarHBondContact OD1-CB 3.16Å; N89-K91 WeakPolarHBondContact OD1-CG 3.04Å; N89-K91 PolarHBondContact OD1-N 3.27Å
92	I	96.8	Very high	95	Very high	13 Å²	13	75 Å²	75	7%	0.067	36%	0.359	C	S	.	.	S	Bend	trans	-85.5	128.7	178.6	-67	178.1	0	0	0	109	Y78 V81 F86 L87 N89 E90	Y78-I92 HydrophobicContact CD1-CG2 4.09Å; V81-I92 HydrophobicContact CG2-CD1 4.27Å; V81-I92 HydrophobicContact CG2-CG2 3.96Å; F86-I92 VanDerWaalsContact O-CD1 3.27Å; F86-I92 WeakPolarHBondContact O-CD1 3.44Å; L87-I92 HydrophobicContact CD2-CD1 4.42Å; L87-I92 HydrophobicContact CD2-CG2 4.49Å; N89-I92 HydrophobicContact CB-CD1 4.36Å; N89-I92 HydrophobicContact CB-CG1 4.41Å; N89-I92 PolarHBondContact O-N 2.9Å; E90-I92 VanDerWaalsContact C-N 3.32Å
93	Q	97.9	Very high	95.2	Very high	18 Å²	18	73.5 Å²	73.5	8%	0.084	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.7	176.9	-60.6	-177.5	52.9	0	0	109.1	Y78 L79 V125	Y78-Q93 CarbonylContact C-O 3.57Å; Y78-Q93 VanDerWaalsContact CA-O 3.31Å; Y78-Q93 WeakPolarHBondContact CA-O 3.27Å; L79-Q93 HydrophobicContact CB-CB 4.3Å; L79-Q93 PolarHBondContact N-O 2.85Å; L79-Q93 PolarHBondContact O-N 2.85Å; Q93-V125 PolarHBondContact NE2-O 3.48Å
94	H	96.9	Very high	95.3	Very high	117 Å²	117	79.2 Å²	79.2	54%	0.542	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.8	168.8	59.2	-87.7	0	0	0	109.9	T76 V77 Y78	T76-H94 HydrophobicContact CG2-CB 4.23Å; V77-H94 CarbonylContact O-C 3.59Å; V77-H94 VanDerWaalsContact O-CA 3.29Å; V77-H94 WeakPolarHBondContact O-CA 3.45Å; Y78-H94 HydrophobicContact CD1-CB 3.83Å; Y78-H94 HydrophobicContact CE1-CB 3.81Å
95	R	97.9	Very high	95.4	Very high	41 Å²	41	83.1 Å²	83.1	16%	0.155	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.5	178.6	-62.7	-64.5	-176.7	-87.1	-2.1	109.2	T76 V77 L120 S122 R123	T76-R95 WeakPolarHBondContact CA-O 3.31Å; V77-R95 PolarHBondContact N-O 2.91Å; V77-R95 PolarHBondContact O-N 2.84Å; R95-L120 HydrophobicContact CB-CB 4.38Å; R95-L120 HydrophobicContact CB-CD2 4.06Å; R95-L120 HydrophobicContact CG-CD1 4.35Å; R95-S122 VanDerWaalsContact CD-O 3.31Å; R95-S122 WeakPolarHBondContact CD-O 3.45Å; R95-S122 WeakPolarHBondContact CD-OG 3.48Å; R95-S122 PolarHBondContact NE-O 2.89Å; R95-S122 PolarHBondContact NE-OG 2.94Å; R95-R123 PolarHBondContact NE-O 3.14Å; R95-R123 VanDerWaalsContact NE-O 3.1Å; R95-R123 PolarHBondContact NH2-O 2.77Å
96	T	98.1	Very high	95.5	Very high	81 Å²	81	78.1 Å²	78.1	50%	0.497	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	164.2	163.4	54.3	0	0	0	0	109.3	S121	T96-S121 PolarHBondContact N-OG 2.67Å; T96-S121 WeakPolarHBondContact O-CB 3.13Å; T96-S121 PolarHBondContact O-N 2.77Å; T96-S121 PolarHBondContact O-OG 2.95Å; T96-S121 VanDerWaalsContact OG1-CB 3.24Å; T96-S121 WeakPolarHBondContact OG1-CB 3.49Å; T96-S121 PolarHBondContact OG1-OG 2.96Å
97	V	98.2	Very high	95.1	Very high	27 Å²	27	78 Å²	78	16%	0.164	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125	176.1	168.1	0	0	0	0	108.8	Y75 V77 K99 L118	Y75-V97 HydrophobicContact CD2-CB 3.88Å; Y75-V97 HydrophobicContact CD2-CG1 4.01Å; Y75-V97 HydrophobicContact CD2-CG2 4.11Å; Y75-V97 HydrophobicContact CG-CB 4.36Å; Y75-V97 HydrophobicContact CG-CG2 4.12Å; V77-V97 HydrophobicContact CG2-CG2 3.83Å; V97-K99 WeakPolarHBondContact CG1-O 3.41Å; V97-L118 HydrophobicContact CG1-CB 4.26Å; V97-L118 HydrophobicContact CG1-CD2 4.13Å; V97-L118 HydrophobicContact CG2-CB 4.01Å; V97-L118 HydrophobicContact CG2-CD1 4.16Å; V97-L118 HydrophobicContact CG2-CD2 4.47Å; V97-L118 HydrophobicContact CG2-CG 4.45Å
98	E	97.4	Very high	94.4	Very high	93 Å²	93	84.1 Å²	84.1	44%	0.435	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-47.5	172.7	-173.1	-166.1	121.9	0	0	109.9	K119	E98-K119 HydrophobicContact CB-CG 4.45Å; E98-K119 VanDerWaalsContact CD-NZ 3.32Å; E98-K119 PolarHBondContact N-O 3.15Å; E98-K119 WeakPolarHBondContact OE1-CE 3.28Å; E98-K119 IonicContact OE1-NZ 2.72Å; E98-K119 PolarHBondContact OE1-NZ 3.17Å; E98-K119 WeakPolarHBondContact OE2-CE 3.21Å; E98-K119 IonicContact OE2-NZ 2.7Å; E98-K119 PolarHBondContact OE2-NZ 3.21Å; E98-K119 VanDerWaalsContact OE2-NZ 3.13Å
99	K	97.7	Very high	93.7	Very high	108 Å²	108	81 Å²	81	47%	0.47	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	140	-177.1	-170.9	162.5	177.7	172.1	0	112.1	V97 F101 K119	V97-K99 WeakPolarHBondContact CG1-O 3.41Å; K99-F101 HydrophobicContact CB-CE2 3.78Å; K99-F101 HydrophobicContact CB-CZ 3.96Å; K99-F101 HydrophobicContact CD-CE1 3.86Å; K99-F101 HydrophobicContact CD-CE2 4.18Å; K99-F101 HydrophobicContact CD-CZ 3.53Å; K99-F101 HydrophobicContact CG-CD2 4.34Å; K99-F101 HydrophobicContact CG-CE1 4.14Å; K99-F101 HydrophobicContact CG-CE2 3.74Å; K99-F101 HydrophobicContact CG-CZ 3.64Å; K99-K119 PolarHBondContact N-O 2.87Å; K99-K119 PolarHBondContact O-N 2.77Å
100	A	98.1	Very high	93	Very high	28 Å²	28	82.1 Å²	82.1	23%	0.231	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	142.2	170.4	0	0	0	0	0	110.4	Y75 M116 L117 L118	Y75-A100 HydrophobicContact CE2-CB 4.05Å; A100-M116 HydrophobicContact CB-SD 3.88Å; A100-L117 CarbonylContact C-O 3.54Å; A100-L118 HydrophobicContact CB-CD2 3.64Å
101	F	98.3	Very high	92.5	Very high	39 Å²	39	76.7 Å²	76.7	17%	0.171	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	78.7	179.5	-57.4	-94.7	0	0	0	108.7	K99 M116 L117 K119 W236 T240 A244	K99-F101 HydrophobicContact CB-CE2 3.78Å; K99-F101 HydrophobicContact CB-CZ 3.96Å; K99-F101 HydrophobicContact CD-CE1 3.86Å; K99-F101 HydrophobicContact CD-CE2 4.18Å; K99-F101 HydrophobicContact CD-CZ 3.53Å; K99-F101 HydrophobicContact CG-CD2 4.34Å; K99-F101 HydrophobicContact CG-CE1 4.14Å; K99-F101 HydrophobicContact CG-CE2 3.74Å; K99-F101 HydrophobicContact CG-CZ 3.64Å; F101-M116 WeakPolarHBondContact O-CA 3.43Å; F101-L117 HydrophobicContact CB-CB 4.31Å; F101-L117 PolarHBondContact N-O 3Å; F101-L117 PolarHBondContact O-N 2.84Å; F101-K119 HydrophobicContact CE2-CB 3.93Å; F101-W236 WeakPolarHBondContact O-CH2 3.41Å; F101-W236 WeakPolarHBondContact O-CZ2 3.1Å; F101-T240 HydrophobicContact CB-CG2 3.61Å; F101-T240 HydrophobicContact CD1-CG2 3.82Å; F101-T240 HydrophobicContact CD2-CG2 4.41Å; F101-T240 HydrophobicContact CG-CG2 3.71Å; F101-A244 HydrophobicContact CE1-CB 4.07Å; F101-A244 HydrophobicContact CE2-CB 3.82Å; F101-A244 HydrophobicContact CZ-CB 3.42Å; F101-A244 VanDerWaalsContact CZ-CB 3.42Å
102	P	97.9	Very high	92.3	Very high	35 Å²	35	72.3 Å²	72.3	23%	0.227	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	145.3	168.8	29.6	-33.8	0	0	0	109.1	A68 E104 M116	A68-P102 HydrophobicContact CB-CB 4.12Å; P102-E104 PolarHBondContact O-N 2.85Å; P102-M116 HydrophobicContact CB-CB 4.43Å; P102-M116 HydrophobicContact CB-CG 4.32Å; P102-M116 HydrophobicContact CB-SD 4.08Å
103	H	98	Very high	92.2	Very high	18 Å²	18	72.6 Å²	72.6	8%	0.083	35%	0.353	C	S	.	.			trans	-56.9	135	174.7	-168.5	-79.9	0	0	0	110.5	N105 Y106 D113 I115 Y233 W236	H103-N105 PolarHBondContact ND1-N 2.85Å; H103-N105 PolarHBondContact O-N 2.99Å; H103-N105 VanDerWaalsContact O-N 3.17Å; H103-Y106 VanDerWaalsContact O-CB 3.26Å; H103-Y106 WeakPolarHBondContact O-CB 3Å; H103-Y106 PolarHBondContact O-N 3.33Å; H103-D113 HydrophobicContact CB-CB 4.38Å; H103-D113 WeakPolarHBondContact CB-O 3.37Å; H103-I115 HydrophobicContact CB-CG2 3.75Å; H103-I115 WeakPolarHBondContact CB-O 2.89Å; H103-I115 PolarHBondContact N-O 2.99Å; H103-Y233 AromaticContact CD2-CD1 3.59Å; H103-Y233 AromaticContact CD2-CE1 3.83Å; H103-Y233 AromaticContact NE2-CD1 3.63Å; H103-Y233 AromaticContact NE2-CE1 3.73Å; H103-W236 HydrophobicContact CB-CH2 4.35Å; H103-W236 HydrophobicContact CB-CZ2 3.95Å; H103-W236 AromaticContact CD2-CD1 3.56Å; H103-W236 AromaticContact CD2-CD2 3.44Å; H103-W236 VanDerWaalsContact CD2-CD2 3.44Å; H103-W236 AromaticContact CD2-CE2 3.54Å; H103-W236 AromaticContact CD2-CG 3.51Å; H103-W236 AromaticContact CD2-NE1 3.56Å; H103-W236 AromaticContact NE2-CD1 3.74Å; H103-W236 AromaticContact NE2-CG 3.81Å
104	E	96	Very high	92.2	Very high	139 Å²	139	71.7 Å²	71.7	65%	0.65	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.8	-168.8	-64.3	85.6	167	0	0	113	P102 W236	P102-E104 PolarHBondContact O-N 2.85Å; E104-W236 PolarHBondContact OE2-NE1 2Å
105	N	95.4	Very high	92.2	Very high	100 Å²	100	66.1 Å²	66.1	54%	0.535	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.3	177	-62.8	-18.3	0	0	0	114	H103 K107 D113	H103-N105 PolarHBondContact ND1-N 2.85Å; H103-N105 PolarHBondContact O-N 2.99Å; H103-N105 VanDerWaalsContact O-N 3.17Å; N105-K107 PolarHBondContact O-N 3.35Å; N105-D113 HydrophobicContact CB-CB 4.27Å; N105-D113 WeakPolarHBondContact CB-OD2 3.34Å
106	Y	94.6	Very high	92.3	Very high	36 Å²	36	64.2 Å²	64.2	14%	0.141	32%	0.316	C	S	.	.			trans	-61.3	128.3	-178.9	172.4	-109.4	0	0	0	110.9	A68 H69 H103 K108 N112 D114	A68-Y106 HydrophobicContact CB-CD1 3.52Å; A68-Y106 HydrophobicContact CB-CD2 3.67Å; A68-Y106 HydrophobicContact CB-CE1 3.95Å; A68-Y106 HydrophobicContact CB-CE2 4.09Å; A68-Y106 HydrophobicContact CB-CG 3.36Å; H69-Y106 VanDerWaalsContact CA-OH 3.31Å; H69-Y106 WeakPolarHBondContact CA-OH 3.44Å; H69-Y106 HydrophobicContact CB-CE2 4.43Å; H69-Y106 WeakPolarHBondContact CB-OH 3.5Å; H103-Y106 VanDerWaalsContact O-CB 3.26Å; H103-Y106 WeakPolarHBondContact O-CB 3Å; H103-Y106 PolarHBondContact O-N 3.33Å; Y106-K108 WeakPolarHBondContact OH-CA 3.18Å; Y106-N112 WeakPolarHBondContact CD2-O 3.46Å; Y106-D114 HydrophobicContact CD2-CB 3.96Å; Y106-D114 HydrophobicContact CE2-CB 3.85Å; Y106-D114 WeakPolarHBondContact CE2-OD1 2.75Å
107	K	85.6	Confident	92.3	Very high	113 Å²	113	60.3 Å²	60.3	49%	0.491	29%	0.293	S	S	.	.			trans	-125	123.9	174.3	-66.9	176.4	-174.4	172.7	0	110.2	N105 N109 E110 F111	N105-K107 PolarHBondContact O-N 3.35Å; K107-N109 PolarHBondContact O-N 3.16Å; K107-E110 HydrophobicContact CB-CB 4.25Å; K107-E110 HydrophobicContact CB-CG 4.35Å; K107-E110 HydrophobicContact CD-CG 4.44Å; K107-E110 WeakPolarHBondContact CD-OE1 3.17Å; K107-E110 IonicContact NZ-OE1 3.07Å; K107-E110 PolarHBondContact NZ-OE1 3.06Å; K107-E110 IonicContact NZ-OE2 3.75Å; K107-E110 PolarHBondContact O-N 2.69Å; K107-F111 PolarHBondContact O-N 3.3Å; K107-F111 VanDerWaalsContact O-N 3.13Å
108	K	77.3	Confident	92.3	Very high	160 Å²	160	59 Å²	59	70%	0.696	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.2	-172.6	-169.5	173.1	-179.8	178.8	0	115.3	Y106	Y106-K108 WeakPolarHBondContact OH-CA 3.18Å
109	N	75.1	Confident	92.4	Very high	150 Å²	150	54.9 Å²	54.9	80%	0.802	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-12.9	-176.1	-60.5	-19.4	0	0	0	113.6	K107	K107-N109 PolarHBondContact O-N 3.16Å
110	E	77.6	Confident	92.4	Very high	97 Å²	97	49.9 Å²	49.9	45%	0.453	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-22.1	-177.2	-63.2	177.4	-144.5	0	0	111.6	K107 N112	K107-E110 HydrophobicContact CB-CB 4.25Å; K107-E110 HydrophobicContact CB-CG 4.35Å; K107-E110 HydrophobicContact CD-CG 4.44Å; K107-E110 WeakPolarHBondContact CD-OE1 3.17Å; K107-E110 IonicContact NZ-OE1 3.07Å; K107-E110 PolarHBondContact NZ-OE1 3.06Å; K107-E110 IonicContact NZ-OE2 3.75Å; K107-E110 PolarHBondContact O-N 2.69Å; E110-N112 HydrophobicContact CB-CB 4.45Å; E110-N112 PolarHBondContact O-N 3.26Å
111	F	77	Confident	92.4	Very high	69 Å²	69	51.1 Å²	51.1	30%	0.303	25%	0.25	S	S	.	.			trans	53.1	14	-174.9	-63.2	-87.1	0	0	0	114.8	H69 K107 D114 F214	H69-F111 HydrophobicContact CB-CE1 4.34Å; K107-F111 PolarHBondContact O-N 3.3Å; K107-F111 VanDerWaalsContact O-N 3.13Å; F111-D114 WeakPolarHBondContact O-CB 3.37Å; F111-F214 HydrophobicContact CB-CD1 3.39Å; F111-F214 HydrophobicContact CB-CE1 3.69Å; F111-F214 HydrophobicContact CB-CG 4.19Å; F111-F214 HydrophobicContact CD1-CB 4.09Å; F111-F214 HydrophobicContact CD1-CD1 4.31Å; F111-F214 HydrophobicContact CE1-CB 4.39Å; F111-F214 HydrophobicContact CG-CB 4.23Å; F111-F214 AromaticContact CG-CD1 3.86Å; F111-F214 HydrophobicContact CG-CD1 3.86Å; F111-F214 HydrophobicContact CG-CG 4.19Å
112	N	86.6	Confident	92.4	Very high	36 Å²	36	52.1 Å²	52.1	19%	0.193	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	145.5	169.6	-68.3	-25.4	0	0	0	109.8	Y106 E110 D114 N181	Y106-N112 WeakPolarHBondContact CD2-O 3.46Å; E110-N112 HydrophobicContact CB-CB 4.45Å; E110-N112 PolarHBondContact O-N 3.26Å; N112-D114 PolarHBondContact O-N 2.88Å; N112-N181 PolarHBondContact ND2-OD1 2.91Å; N112-N181 WeakPolarHBondContact OD1-CB 3.42Å; N112-N181 PolarHBondContact OD1-OD1 2.84Å; N112-N181 VanDerWaalsContact OD1-OD1 3.09Å
113	D	94.5	Very high	92.4	Very high	19 Å²	19	57.8 Å²	57.8	10%	0.102	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	35.7	-178.8	-50.6	-58.6	0	0	0	113	H103 N105 I115 K182 Y233	H103-D113 HydrophobicContact CB-CB 4.38Å; H103-D113 WeakPolarHBondContact CB-O 3.37Å; N105-D113 HydrophobicContact CB-CB 4.27Å; N105-D113 WeakPolarHBondContact CB-OD2 3.34Å; D113-I115 VanDerWaalsContact C-N 3.26Å; D113-I115 PolarHBondContact O-N 2.89Å; D113-K182 IonicContact OD1-NZ 3.94Å; D113-Y233 WeakPolarHBondContact CA-OH 3.05Å; D113-Y233 HydrophobicContact CB-CE1 3.99Å; D113-Y233 WeakPolarHBondContact OD1-CE1 3.47Å; D113-Y233 VanDerWaalsContact OD1-CZ 3.28Å; D113-Y233 PolarHBondContact OD1-OH 3.29Å
114	D	97.2	Very high	92.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.277	C	S	.	.			trans	-77.5	72.5	-177.7	-173.8	26.5	0	0	0	111.9	A68 H69 Y106 F111 N112 S213 T228	A68-D114 WeakPolarHBondContact CA-OD1 3.47Å; A68-D114 WeakPolarHBondContact CB-OD1 3.05Å; A68-D114 PolarHBondContact N-OD1 2.85Å; H69-D114 IonicContact CE1-OD2 3.33Å; H69-D114 IonicContact CG-OD1 3.64Å; H69-D114 IonicContact CG-OD2 3.29Å; H69-D114 PolarHBondContact N-OD1 2.9Å; H69-D114 IonicContact ND1-OD1 2.55Å; H69-D114 PolarHBondContact ND1-OD1 3.03Å; H69-D114 IonicContact ND1-OD2 3.86Å; H69-D114 PolarHBondContact ND1-OD2 3.13Å; Y106-D114 HydrophobicContact CD2-CB 3.96Å; Y106-D114 HydrophobicContact CE2-CB 3.85Å; Y106-D114 WeakPolarHBondContact CE2-OD1 2.75Å; F111-D114 WeakPolarHBondContact O-CB 3.37Å; N112-D114 PolarHBondContact O-N 2.88Å; D114-S213 WeakPolarHBondContact CB-OG 3.14Å; D114-S213 WeakPolarHBondContact OD2-CB 3.47Å; D114-S213 PolarHBondContact OD2-OG 2.75Å; D114-T228 PolarHBondContact O-OG1 3.49Å
115	I	98.4	Very high	92.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.271	C	S	.	.			trans	-142.8	139.8	-179.5	-172.1	172.7	0	0	0	110.3	M65 H103 D113 V211 T228 Y233 W236 I237	M65-I115 HydrophobicContact CE-CD1 4.02Å; M65-I115 HydrophobicContact CG-CD1 4.49Å; M65-I115 HydrophobicContact CG-CG1 4.22Å; M65-I115 HydrophobicContact SD-CD1 3.72Å; M65-I115 HydrophobicContact SD-CG1 4.08Å; H103-I115 HydrophobicContact CB-CG2 3.75Å; H103-I115 WeakPolarHBondContact CB-O 2.89Å; H103-I115 PolarHBondContact N-O 2.99Å; D113-I115 VanDerWaalsContact C-N 3.26Å; D113-I115 PolarHBondContact O-N 2.89Å; I115-V211 HydrophobicContact CD1-CG2 4.46Å; I115-V211 HydrophobicContact CG1-CG2 4.39Å; I115-T228 HydrophobicContact CB-CG2 4.08Å; I115-T228 HydrophobicContact CG2-CG2 4.46Å; I115-Y233 HydrophobicContact CD1-CG 4.33Å; I115-Y233 HydrophobicContact CG2-CD1 3.95Å; I115-Y233 HydrophobicContact CG2-CE1 4.18Å; I115-Y233 HydrophobicContact CG2-CG 4.18Å; I115-W236 HydrophobicContact CD1-CZ3 4.17Å; I115-W236 HydrophobicContact CG1-CZ3 4.04Å; I115-W236 HydrophobicContact CG2-CE3 4.32Å; I115-W236 HydrophobicContact CG2-CH2 4.38Å; I115-W236 HydrophobicContact CG2-CZ3 3.95Å; I115-I237 HydrophobicContact CD1-CD1 4.21Å; I115-I237 HydrophobicContact CD1-CG1 4.36Å
116	M	98.6	Very high	92.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142.2	-179.6	175.1	166.6	70.2	0	0	111.4	T66 A68 C70 Q71 Y75 A100 F101 P102 L118	T66-M116 HydrophobicContact CG2-CB 4.18Å; T66-M116 HydrophobicContact CG2-CE 3.48Å; T66-M116 VanDerWaalsContact CG2-CE 3.48Å; T66-M116 HydrophobicContact CG2-CG 4.36Å; T66-M116 PolarHBondContact N-O 3.19Å; T66-M116 PolarHBondContact O-N 3.02Å; T66-M116 VanDerWaalsContact O-O 3.08Å; A68-M116 HydrophobicContact CB-CB 4.32Å; C70-M116 HydrophobicContact CB-CE 4.3Å; Q71-M116 HydrophobicContact CB-SD 4.41Å; Y75-M116 HydrophobicContact CE1-CE 4.34Å; A100-M116 HydrophobicContact CB-SD 3.88Å; F101-M116 WeakPolarHBondContact O-CA 3.43Å; P102-M116 HydrophobicContact CB-CB 4.43Å; P102-M116 HydrophobicContact CB-CG 4.32Å; P102-M116 HydrophobicContact CB-SD 4.08Å; M116-L118 HydrophobicContact CE-CD2 3.86Å; M116-L118 HydrophobicContact CG-CD2 4.26Å; M116-L118 HydrophobicContact SD-CD2 4.17Å
117	L	98.8	Very high	92.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137.5	169.8	-63.7	174.5	0	0	0	110.4	L59 F63 M65 A100 F101 W236 I237 T240 M241	L59-L117 HydrophobicContact CD1-CD2 3.48Å; L59-L117 VanDerWaalsContact CD1-CD2 3.48Å; F63-L117 HydrophobicContact CD1-CB 4.42Å; M65-L117 HydrophobicContact CB-CD2 4.24Å; M65-L117 HydrophobicContact CE-CD2 4.05Å; M65-L117 HydrophobicContact CG-CD2 4.37Å; A100-L117 CarbonylContact C-O 3.54Å; F101-L117 HydrophobicContact CB-CB 4.31Å; F101-L117 PolarHBondContact N-O 3Å; F101-L117 PolarHBondContact O-N 2.84Å; L117-W236 HydrophobicContact CD1-CH2 4.25Å; L117-W236 HydrophobicContact CD1-CZ3 4.12Å; L117-W236 HydrophobicContact CG-CH2 3.96Å; L117-W236 HydrophobicContact CG-CZ3 3.95Å; L117-I237 HydrophobicContact CD1-CG2 4.36Å; L117-T240 HydrophobicContact CD1-CG2 3.82Å; L117-M241 HydrophobicContact CD1-CG 3.78Å
118	L	98.8	Very high	93.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.4	172.3	-58.9	179.1	0	0	0	108.3	I42 F63 V64 T66 Y75 V77 V97 A100 M116	I42-L118 HydrophobicContact CD1-CD1 3.81Å; I42-L118 HydrophobicContact CG2-CD1 4.41Å; F63-L118 WeakPolarHBondContact CA-O 3.3Å; V64-L118 HydrophobicContact CB-CB 4.41Å; V64-L118 PolarHBondContact N-O 3.37Å; V64-L118 PolarHBondContact O-N 2.91Å; T66-L118 HydrophobicContact CG2-CD1 3.95Å; T66-L118 HydrophobicContact CG2-CG 4.04Å; Y75-L118 HydrophobicContact CD2-CD2 4.48Å; Y75-L118 HydrophobicContact CE1-CD2 4.42Å; Y75-L118 HydrophobicContact CE2-CD2 4.27Å; V77-L118 HydrophobicContact CG2-CD1 4.34Å; V97-L118 HydrophobicContact CG1-CB 4.26Å; V97-L118 HydrophobicContact CG1-CD2 4.13Å; V97-L118 HydrophobicContact CG2-CB 4.01Å; V97-L118 HydrophobicContact CG2-CD1 4.16Å; V97-L118 HydrophobicContact CG2-CD2 4.47Å; V97-L118 HydrophobicContact CG2-CG 4.45Å; A100-L118 HydrophobicContact CB-CD2 3.64Å; M116-L118 HydrophobicContact CE-CD2 3.86Å; M116-L118 HydrophobicContact CG-CD2 4.26Å; M116-L118 HydrophobicContact SD-CD2 4.17Å
119	K	98.6	Very high	94.2	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	118.7	168.6	-176.4	-179.2	176.3	-166.1	0	108.5	F63 E98 K99 F101 A244 N248	F63-K119 HydrophobicContact CD1-CB 4.17Å; F63-K119 HydrophobicContact CE1-CB 3.7Å; F63-K119 HydrophobicContact CE1-CG 4.06Å; F63-K119 HydrophobicContact CZ-CB 4.26Å; F63-K119 HydrophobicContact CZ-CD 4.37Å; F63-K119 HydrophobicContact CZ-CG 4.11Å; E98-K119 HydrophobicContact CB-CG 4.45Å; E98-K119 VanDerWaalsContact CD-NZ 3.32Å; E98-K119 PolarHBondContact N-O 3.15Å; E98-K119 WeakPolarHBondContact OE1-CE 3.28Å; E98-K119 IonicContact OE1-NZ 2.72Å; E98-K119 PolarHBondContact OE1-NZ 3.17Å; E98-K119 WeakPolarHBondContact OE2-CE 3.21Å; E98-K119 IonicContact OE2-NZ 2.7Å; E98-K119 PolarHBondContact OE2-NZ 3.21Å; E98-K119 VanDerWaalsContact OE2-NZ 3.13Å; K99-K119 PolarHBondContact N-O 2.87Å; K99-K119 PolarHBondContact O-N 2.77Å; F101-K119 HydrophobicContact CE2-CB 3.93Å; K119-A244 HydrophobicContact CD-CB 4.29Å; K119-A244 PolarHBondContact NZ-O 3.24Å; K119-N248 VanDerWaalsContact NZ-CG 3.27Å; K119-N248 PolarHBondContact NZ-ND2 2.77Å; K119-N248 PolarHBondContact NZ-OD1 3.19Å
120	L	98.7	Very high	95.4	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	145.1	177.6	-56.7	179.9	0	0	0	110	L58 D62 V64 V77 L79 R95 S122 A124	L58-L120 HydrophobicContact CD1-CD1 4.29Å; D62-L120 PolarHBondContact O-N 3.27Å; V64-L120 HydrophobicContact CG2-CD1 4.39Å; V64-L120 HydrophobicContact CG2-CD2 4.11Å; V77-L120 HydrophobicContact CB-CD2 4.04Å; V77-L120 HydrophobicContact CG1-CD2 4.11Å; V77-L120 HydrophobicContact CG2-CD2 3.91Å; L79-L120 HydrophobicContact CD1-CD1 4.47Å; R95-L120 HydrophobicContact CB-CB 4.38Å; R95-L120 HydrophobicContact CB-CD2 4.06Å; R95-L120 HydrophobicContact CG-CD1 4.35Å; L120-S122 WeakPolarHBondContact CB-O 3.47Å; L120-S122 PolarHBondContact O-N 2.97Å; L120-A124 HydrophobicContact CD1-CB 4.28Å
121	S	98	Very high	96.3	Very high	53 Å²	53	42.8 Å²	42.8	37%	0.371	22%	0.221	S	C	.	.	S	Bend	trans	-68.6	-18.5	176.3	61.6	0	0	0	0	113.9	T96	T96-S121 PolarHBondContact N-OG 2.67Å; T96-S121 WeakPolarHBondContact O-CB 3.13Å; T96-S121 PolarHBondContact O-N 2.77Å; T96-S121 PolarHBondContact O-OG 2.95Å; T96-S121 VanDerWaalsContact OG1-CB 3.24Å; T96-S121 WeakPolarHBondContact OG1-CB 3.49Å; T96-S121 PolarHBondContact OG1-OG 2.96Å
122	S	98.1	Very high	97.4	Very high	60 Å²	60	41.9 Å²	41.9	42%	0.42	22%	0.222	S	C	.	.	S	Bend	trans	-153.3	151.5	172.5	48.5	0	0	0	0	109.6	R95 L120	R95-S122 VanDerWaalsContact CD-O 3.31Å; R95-S122 WeakPolarHBondContact CD-O 3.45Å; R95-S122 WeakPolarHBondContact CD-OG 3.48Å; R95-S122 PolarHBondContact NE-O 2.89Å; R95-S122 PolarHBondContact NE-OG 2.94Å; L120-S122 WeakPolarHBondContact CB-O 3.47Å; L120-S122 PolarHBondContact O-N 2.97Å
123	R	98.5	Very high	97.9	Very high	155 Å²	155	40.7 Å²	40.7	59%	0.585	22%	0.216	S	C	*	.			trans	-57	138	-177.5	-78.6	179.5	161.3	-155.8	-12.5	112.5	E61 D62 R95	E61-R123 HydrophobicContact CB-CB 4.11Å; E61-R123 HydrophobicContact CB-CG 4.08Å; E61-R123 CarbonylContact O-C 3.46Å; E61-R123 VanDerWaalsContact O-CA 3.29Å; E61-R123 WeakPolarHBondContact O-CA 3.3Å; D62-R123 WeakPolarHBondContact OD1-CG 3.49Å; D62-R123 IonicContact OD1-CZ 3.64Å; D62-R123 IonicContact OD1-NE 3.11Å; D62-R123 PolarHBondContact OD1-NE 3.04Å; D62-R123 IonicContact OD1-NH2 3.03Å; D62-R123 IonicContact OD2-CZ 2.72Å; D62-R123 IonicContact OD2-NE 3.73Å; D62-R123 PolarHBondContact OD2-NE 2.91Å; D62-R123 VanDerWaalsContact OD2-NE 3.11Å; D62-R123 IonicContact OD2-NH2 3.79Å; D62-R123 PolarHBondContact OD2-NH2 3.47Å; R95-R123 PolarHBondContact NE-O 3.14Å; R95-R123 VanDerWaalsContact NE-O 3.1Å; R95-R123 PolarHBondContact NH2-O 2.77Å
124	A	98.4	Very high	98.1	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.033	24%	0.236	C	C	.	.			trans	-68.1	141.6	164.4	0	0	0	0	0	109.4	L58 E61 L79 L120 V130	L58-A124 HydrophobicContact CD1-CB 4.18Å; L58-A124 HydrophobicContact CD2-CB 4.25Å; E61-A124 WeakPolarHBondContact CG-O 3.25Å; E61-A124 PolarHBondContact O-N 2.89Å; L79-A124 HydrophobicContact CD1-CB 3.54Å; L120-A124 HydrophobicContact CD1-CB 4.28Å; A124-V130 HydrophobicContact CB-CG1 4.35Å
125	V	98.4	Very high	98.1	Very high	88 Å²	88	44.6 Å²	44.6	53%	0.533	25%	0.246	S	C	.	.			trans	-91.5	109.1	175.6	-179.1	0	0	0	0	107.9	Q93 N127	Q93-V125 PolarHBondContact NE2-O 3.48Å; V125-N127 PolarHBondContact O-N 3.08Å
126	V	98.4	Very high	97.9	Very high	67 Å²	67	44.8 Å²	44.8	41%	0.406	25%	0.247	S	C	.	.			trans	-67.2	129.4	178.7	178.8	0	0	0	0	110	E61 V130 K131	E61-V126 HydrophobicContact CG-CG2 3.77Å; V126-V130 CarbonylContact C-O 3.49Å; V126-V130 WeakPolarHBondContact CA-O 3.39Å; V126-K131 HydrophobicContact CG1-CG 4.23Å
127	N	97.1	Very high	97	Very high	56 Å²	56	50.6 Å²	50.6	30%	0.299	28%	0.278	S	S	.	.	S	Bend	trans	-153.8	-165.5	178.7	67	33.3	0	0	0	110.6	V125 F129 V130 K131	V125-N127 PolarHBondContact O-N 3.08Å; N127-F129 PolarHBondContact O-N 2.84Å; N127-F129 WeakPolarHBondContact OD1-CA 3.34Å; N127-F129 PolarHBondContact OD1-N 2.8Å; N127-V130 PolarHBondContact N-O 2.84Å; N127-V130 VanDerWaalsContact O-O 3.08Å; N127-V130 PolarHBondContact OD1-N 2.94Å; N127-K131 WeakPolarHBondContact O-CE 3.21Å; N127-K131 WeakPolarHBondContact O-CG 3.3Å
128	N	95.7	Very high	95.9	Very high	125 Å²	125	55.8 Å²	55.8	67%	0.668	31%	0.306	S	S	*	.	S	Bend	trans	-65.2	-21.9	-179	-71.9	-21.9	0	0	0	114.6
129	F	96.6	Very high	94.7	Very high	70 Å²	70	59.8 Å²	59.8	31%	0.307	33%	0.328	S	S	.	.	S	Bend	trans	-109.2	-14.9	-175.7	-45.8	-48.7	0	0	0	113	H34 P37 G80 N127	H34-F129 HydrophobicContact CB-CB 4.5Å; H34-F129 HydrophobicContact CB-CD1 3.59Å; H34-F129 HydrophobicContact CB-CE1 4.29Å; H34-F129 HydrophobicContact CB-CG 4.42Å; H34-F129 AromaticContact CD2-CD1 3.75Å; H34-F129 AromaticContact CD2-CE1 3.84Å; H34-F129 AromaticContact CG-CD1 3.46Å; H34-F129 VanDerWaalsContact CG-CD1 3.46Å; H34-F129 AromaticContact ND1-CD1 3.89Å; P37-F129 WeakPolarHBondContact CA-O 3.07Å; P37-F129 WeakPolarHBondContact CB-O 3.31Å; G80-F129 WeakPolarHBondContact CA-O 3.28Å; N127-F129 PolarHBondContact O-N 2.84Å; N127-F129 WeakPolarHBondContact OD1-CA 3.34Å; N127-F129 PolarHBondContact OD1-N 2.8Å
130	V	98.5	Very high	93.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.346	C	S	.	.			trans	-128.2	106.2	-179.8	-178.7	0	0	0	0	108.6	P37 L58 L79 A124 V126 N127	P37-V130 WeakPolarHBondContact O-CA 3.31Å; L58-V130 HydrophobicContact CD2-CG1 3.7Å; L79-V130 HydrophobicContact CB-CG1 3.99Å; L79-V130 HydrophobicContact CB-CG2 3.85Å; L79-V130 HydrophobicContact CD1-CG1 4.05Å; A124-V130 HydrophobicContact CB-CG1 4.35Å; V126-V130 CarbonylContact C-O 3.49Å; V126-V130 WeakPolarHBondContact CA-O 3.39Å; N127-V130 PolarHBondContact N-O 2.84Å; N127-V130 VanDerWaalsContact O-O 3.08Å; N127-V130 PolarHBondContact OD1-N 2.94Å
131	K	98.3	Very high	92.2	Very high	87 Å²	87	71.3 Å²	71.3	38%	0.378	39%	0.388	S	S	.	.			trans	-142.7	139.6	179.2	-61.9	-174.2	-178.4	175.7	0	110.5	P37 Y38 V126 N127	P37-K131 CarbonylContact C-O 3.52Å; P37-K131 HydrophobicContact CB-CB 3.99Å; P37-K131 HydrophobicContact CB-CG 4.18Å; P37-K131 HydrophobicContact CG-CB 3.94Å; P37-K131 HydrophobicContact CG-CD 4.41Å; P37-K131 HydrophobicContact CG-CG 4.32Å; P37-K131 PolarHBondContact O-N 3.08Å; Y38-K131 WeakPolarHBondContact CA-O 3.33Å; Y38-K131 VanDerWaalsContact CB-O 3.28Å; Y38-K131 WeakPolarHBondContact CB-O 2.96Å; Y38-K131 PolarHBondContact N-O 3.08Å; V126-K131 HydrophobicContact CG1-CG 4.23Å; N127-K131 WeakPolarHBondContact O-CE 3.21Å; N127-K131 WeakPolarHBondContact O-CG 3.3Å
132	P	98.6	Very high	91.6	Very high	51 Å²	51	73.7 Å²	73.7	33%	0.331	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-63.2	154.9	174.1	-21.2	33.5	0	0	0	113.2	L58 L59	L58-P132 HydrophobicContact CD2-CG 4.2Å; L58-P132 HydrophobicContact CG-CG 4.47Å; L58-P132 VanDerWaalsContact O-CA 3.28Å; L58-P132 WeakPolarHBondContact O-CA 3.45Å; L59-P132 WeakPolarHBondContact O-CB 3.44Å
133	V	98.4	Very high	91.2	Very high	10 Å²	10	73 Å²	73	6%	0.061	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-102.9	141.5	169.5	65.3	0	0	0	0	110.5	Y38 F57 L58 G206 A208	Y38-V133 HydrophobicContact CD1-CB 3.85Å; Y38-V133 HydrophobicContact CD1-CG2 4.09Å; Y38-V133 HydrophobicContact CD2-CB 4.39Å; Y38-V133 HydrophobicContact CD2-CG1 4.49Å; Y38-V133 HydrophobicContact CE1-CG2 4.37Å; Y38-V133 HydrophobicContact CG-CB 3.72Å; Y38-V133 HydrophobicContact CG-CG1 4.19Å; Y38-V133 HydrophobicContact CG-CG2 4.3Å; F57-V133 HydrophobicContact CB-CG1 4.33Å; F57-V133 HydrophobicContact CD2-CG1 3.46Å; F57-V133 VanDerWaalsContact CD2-CG1 3.46Å; F57-V133 HydrophobicContact CE2-CG1 4.16Å; F57-V133 HydrophobicContact CG-CG1 4.3Å; L58-V133 PolarHBondContact O-N 3.32Å; V133-G206 VanDerWaalsContact CG2-O 3.29Å; V133-G206 WeakPolarHBondContact CG2-O 3.11Å; V133-A208 HydrophobicContact CG1-CB 4.02Å; V133-A208 HydrophobicContact CG2-CB 4.08Å
134	A	97.3	Very high	91	Very high	64 Å²	64	66.3 Å²	66.3	53%	0.529	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	142.8	173.6	0	0	0	0	0	110.6	A208	A134-A208 PolarHBondContact O-N 2.87Å
135	L	97.1	Very high	90.7	Very high	37 Å²	37	71 Å²	71	19%	0.194	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	147.3	173.9	-60.9	-172.8	0	0	0	111	F57 L59 M65 N137 T207 A208 I230 I237	F57-L135 HydrophobicContact CE2-CD2 3.95Å; L59-L135 HydrophobicContact CD1-CD1 4.44Å; L59-L135 HydrophobicContact CD2-CD1 4.22Å; L59-L135 HydrophobicContact CD2-CD2 3.65Å; L59-L135 HydrophobicContact CD2-CG 4.18Å; M65-L135 HydrophobicContact CE-CD1 3.91Å; M65-L135 HydrophobicContact CE-CD2 4.32Å; L135-N137 PolarHBondContact O-N 3.29Å; L135-N137 PolarHBondContact O-OD1 3.41Å; L135-T207 VanDerWaalsContact C-CG2 3.47Å; L135-A208 HydrophobicContact CD2-CB 3.95Å; L135-I230 HydrophobicContact CB-CG2 4.18Å; L135-I230 HydrophobicContact CD1-CG2 4.25Å; L135-I230 HydrophobicContact CD2-CD1 4.25Å; L135-I230 HydrophobicContact CD2-CG2 4.19Å; L135-I230 HydrophobicContact CG-CG2 4.45Å; L135-I237 HydrophobicContact CD1-CD1 4.04Å; L135-I237 HydrophobicContact CD1-CG2 4.09Å
136	A	94.4	Very high	90.5	Very high	4 Å²	4	71.4 Å²	71.4	3%	0.033	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-69.3	123.7	168.4	0	0	0	0	0	109.2	T207 A208 Y209 P231	A136-T207 HydrophobicContact CB-CG2 3.88Å; A136-T207 VanDerWaalsContact N-CG2 3.27Å; A136-A208 PolarHBondContact N-O 2.93Å; A136-Y209 HydrophobicContact CB-CD1 3.49Å; A136-Y209 VanDerWaalsContact CB-CD1 3.49Å; A136-Y209 HydrophobicContact CB-CD2 4.02Å; A136-Y209 HydrophobicContact CB-CE1 3.54Å; A136-Y209 HydrophobicContact CB-CE2 4.07Å; A136-Y209 HydrophobicContact CB-CG 3.75Å; A136-P231 HydrophobicContact CB-CG 3.76Å
137	N	81.1	Confident	90.4	Very high	122 Å²	122	68.2 Å²	68.2	65%	0.652	39%	0.385	S	S	*	.			trans	-94.4	-23.7	-172	-70.8	-20	0	0	0	113.9	L135	L135-N137 PolarHBondContact O-N 3.29Å; L135-N137 PolarHBondContact O-OD1 3.41Å
138	N	75.5	Confident	90.3	Very high	109 Å²	109	67.4 Å²	67.4	58%	0.583	38%	0.38	S	S	*	.	S	Bend	trans	-117	136.9	-175.7	-66.8	-20.6	0	0	0	111.1	D140 P231	N138-D140 PolarHBondContact O-N 3.37Å; N138-P231 WeakPolarHBondContact O-CB 3.26Å
139	D	73.4	Confident	90.3	Very high	85 Å²	85	61.5 Å²	61.5	46%	0.455	35%	0.348	S	S	.	.			trans	-77	83.4	164.5	-170.8	-7.1	0	0	0	108.3	K229 P231	D139-K229 VanDerWaalsContact CG-NZ 3.26Å; D139-K229 WeakPolarHBondContact OD1-CE 3.26Å; D139-K229 IonicContact OD1-NZ 2.77Å; D139-K229 PolarHBondContact OD1-NZ 2.98Å; D139-K229 IonicContact OD2-NZ 3.33Å; D139-K229 PolarHBondContact OD2-NZ 3.17Å; D139-P231 HydrophobicContact CB-CB 4.17Å
140	D	72.9	Confident	90.3	Very high	77 Å²	77	58.2 Å²	58.2	41%	0.412	33%	0.334	S	S	.	.			trans	-69.1	141.3	173.6	-66.8	-28.7	0	0	0	109.7	N138 T142	N138-D140 PolarHBondContact O-N 3.37Å; D140-T142 PolarHBondContact O-N 2.73Å; D140-T142 VanDerWaalsContact O-N 3.11Å
141	L	72.1	Confident	90.2	Very high	173 Å²	173	58.2 Å²	58.2	91%	0.906	33%	0.334	S	S	*	.	S	Bend	trans	-63.8	-16.3	178.2	-68.2	174.5	0	0	0	113.1
142	T	84.1	Confident	90	Very high	104 Å²	104	54.1 Å²	54.1	64%	0.638	32%	0.316	S	S	*	.	S	Bend	trans	-103.5	137.4	-179.4	55	0	0	0	0	111.1	D140	D140-T142 PolarHBondContact O-N 2.73Å; D140-T142 VanDerWaalsContact O-N 3.11Å
143	L	91.1	Very high	89.5	Confident	44 Å²	44	51.7 Å²	51.7	23%	0.23	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-58.9	137	173.3	-66.4	172.9	0	0	0	111.3	L172 N173 E174 Y184	L143-L172 HydrophobicContact CB-CB 4.34Å; L143-L172 HydrophobicContact CD1-CB 4.12Å; L143-L172 HydrophobicContact CD2-CB 4.35Å; L143-L172 HydrophobicContact CD2-CD1 4.48Å; L143-N173 VanDerWaalsContact CD1-C 3.48Å; L143-E174 HydrophobicContact CD1-CG 4.04Å; L143-E174 WeakPolarHBondContact CG-OE1 3.29Å; L143-Y184 HydrophobicContact CD2-CD1 3.73Å; L143-Y184 HydrophobicContact CD2-CE1 3.91Å
144	P	93	Very high	88.8	Confident	15 Å²	15	53.1 Å²	53.1	10%	0.097	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-65.9	151	172.4	30.5	-35.9	0	0	0	110.2	L172 C203 Y209	P144-L172 HydrophobicContact CG-CD1 3.57Å; P144-C203 HydrophobicContact CB-CB 3.76Å; P144-C203 HydrophobicContact CG-CB 4.36Å; P144-Y209 HydrophobicContact CB-CD1 3.79Å; P144-Y209 HydrophobicContact CB-CD2 4.12Å; P144-Y209 HydrophobicContact CB-CE1 3.76Å; P144-Y209 HydrophobicContact CB-CE2 4.08Å; P144-Y209 HydrophobicContact CB-CG 3.97Å; P144-Y209 HydrophobicContact CG-CD1 3.62Å; P144-Y209 HydrophobicContact CG-CD2 4.41Å; P144-Y209 HydrophobicContact CG-CE1 4.06Å; P144-Y209 HydrophobicContact CG-CG 3.81Å
145	T	93.1	Very high	87.7	Confident	104 Å²	104	51.1 Å²	51.1	64%	0.638	29%	0.288	S	S	*	.			trans	-116.3	168.9	-177.1	59.6	0	0	0	0	111	C147 C203 G204	T145-C147 VanDerWaalsContact C-N 3.34Å; T145-C147 PolarHBondContact O-N 2.96Å; T145-C203 WeakPolarHBondContact O-CB 3.23Å; T145-G204 PolarHBondContact O-N 3.05Å
146	S	93.4	Very high	86.4	Confident	95 Å²	95	55.5 Å²	55.5	66%	0.664	31%	0.307	S	S	*	.	S	Bend	trans	54.2	49.6	-178.9	-59.7	0	0	0	0	112.5
147	C	95.8	Very high	85.1	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.007	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	144	-177.6	-60.4	0	0	0	0	111.9	T145 N169 V170 L201 V202 C203	T145-C147 VanDerWaalsContact C-N 3.34Å; T145-C147 PolarHBondContact O-N 2.96Å; C147-N169 CarbonylContact O-C 3.39Å; C147-N169 WeakPolarHBondContact O-CA 3.15Å; C147-V170 HydrophobicContact CB-CB 4.28Å; C147-V170 WeakPolarHBondContact CB-O 3.26Å; C147-V170 PolarHBondContact O-N 2.88Å; C147-L201 HydrophobicContact CB-CD1 3.76Å; C147-L201 HydrophobicContact CB-CG 4.34Å; C147-V202 CarbonylContact C-O 3.52Å; C147-V202 VanDerWaalsContact CA-O 3.26Å; C147-V202 WeakPolarHBondContact CA-O 3.29Å; C147-C203 HydrophobicContact CB-CB 4.05Å; C147-C203 WeakPolarHBondContact CB-SG 3.4Å; C147-C203 WeakPolarHBondContact SG-CB 3.25Å; C147-C203 CovalentContact SG-SG 2.04Å; C147-C203 PolarHBondContact SG-SG 3.23Å
148	I	95.8	Very high	84.4	Confident	39 Å²	39	60.6 Å²	60.6	20%	0.2	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.2	177.2	-62.6	175.2	0	0	0	108.1	E167 M168 V202	I148-E167 HydrophobicContact CG2-CB 3.97Å; I148-M168 VanDerWaalsContact CA-O 3.29Å; I148-M168 WeakPolarHBondContact CA-O 3.05Å; I148-V202 PolarHBondContact N-O 3.49Å; I148-V202 PolarHBondContact O-N 3.35Å
149	V	96	Very high	84.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.7	164.1	175.4	0	0	0	0	107.7	E167 M168 V170 P192 L201 V212 Y227	V149-E167 CarbonylContact O-C 3.56Å; V149-E167 VanDerWaalsContact O-CA 3.25Å; V149-E167 WeakPolarHBondContact O-CA 3.31Å; V149-M168 HydrophobicContact CB-CE 4.12Å; V149-M168 HydrophobicContact CB-CG 4.49Å; V149-M168 HydrophobicContact CG2-CE 4.49Å; V149-M168 PolarHBondContact N-O 3.16Å; V149-M168 PolarHBondContact O-N 3.06Å; V149-V170 HydrophobicContact CB-CG2 4.2Å; V149-V170 HydrophobicContact CG2-CG2 3.67Å; V149-P192 HydrophobicContact CG1-CG 4.14Å; V149-L201 HydrophobicContact CG2-CB 4.43Å; V149-L201 HydrophobicContact CG2-CD1 3.58Å; V149-V212 HydrophobicContact CG1-CG2 3.81Å; V149-Y227 HydrophobicContact CG2-CE1 3.63Å
150	S	95.8	Very high	84.6	Confident	1 Å²	1	55 Å²	55	1%	0.007	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.8	176.6	-52.2	0	0	0	0	110.1	M39 M166 E167	M39-S150 WeakPolarHBondContact CE-O 3.49Å; S150-M166 CarbonylContact C-O 3.43Å; S150-M166 WeakPolarHBondContact CA-O 3.26Å; S150-M166 WeakPolarHBondContact CB-O 3.06Å; S150-E167 WeakPolarHBondContact OG-CB 3.43Å
151	G	95.9	Very high	85.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176	180	178.6	0	0	0	0	0	114.7	D55 M166 D196	D55-G151 WeakPolarHBondContact OD2-CA 3.3Å; G151-M166 PolarHBondContact N-O 3Å; G151-M166 WeakPolarHBondContact O-CB 3.26Å; G151-M166 PolarHBondContact O-N 2.83Å; G151-D196 WeakPolarHBondContact CA-OD1 3.02Å
152	W	95.5	Very high	86.2	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.008	29%	0.286	C	S	.	.			trans	-110.4	10.4	179.9	-67.2	-87.2	0	0	0	113.2	M39 F41 D55 V81 T84 I161 S162 K164 L165 D196	M39-W152 HydrophobicContact CB-CH2 3.64Å; M39-W152 HydrophobicContact CB-CZ3 3.98Å; M39-W152 HydrophobicContact CE-CE3 4.34Å; M39-W152 HydrophobicContact CE-CH2 4.46Å; M39-W152 HydrophobicContact CE-CZ3 3.79Å; F41-W152 HydrophobicContact CB-CE3 4.07Å; F41-W152 HydrophobicContact CB-CH2 4.32Å; F41-W152 HydrophobicContact CB-CZ3 3.91Å; F41-W152 HydrophobicContact CD2-CB 4.22Å; F41-W152 HydrophobicContact CD2-CD2 4.12Å; F41-W152 AromaticContact CD2-CE3 3.93Å; F41-W152 HydrophobicContact CD2-CE3 3.93Å; F41-W152 HydrophobicContact CD2-CG 4.28Å; F41-W152 HydrophobicContact CE2-CB 4.28Å; F41-W152 HydrophobicContact CG-CE3 4.49Å; D55-W152 PolarHBondContact OD2-N 3.13Å; V81-W152 HydrophobicContact CB-CH2 4.12Å; V81-W152 HydrophobicContact CB-CZ2 3.76Å; V81-W152 HydrophobicContact CG1-CZ2 3.82Å; V81-W152 VanDerWaalsContact O-CZ2 3.3Å; V81-W152 WeakPolarHBondContact O-CZ2 3.49Å; T84-W152 HydrophobicContact CG2-CB 4.39Å; T84-W152 HydrophobicContact CG2-CD2 4.34Å; T84-W152 HydrophobicContact CG2-CG 3.85Å; W152-I161 CarbonylContact O-C 3.54Å; W152-I161 WeakPolarHBondContact O-CA 3.32Å; W152-I161 WeakPolarHBondContact O-CB 3.4Å; W152-S162 PolarHBondContact O-N 2.78Å; W152-K164 VanDerWaalsContact CD1-C 3.5Å; W152-L165 HydrophobicContact CD2-CD1 3.89Å; W152-L165 HydrophobicContact CE3-CD1 4.03Å; W152-L165 HydrophobicContact CH2-CD1 3.86Å; W152-L165 HydrophobicContact CZ2-CB 3.92Å; W152-L165 HydrophobicContact CZ2-CD1 3.66Å; W152-L165 HydrophobicContact CZ2-CD2 4.46Å; W152-L165 HydrophobicContact CZ2-CG 4.21Å; W152-L165 HydrophobicContact CZ3-CD1 4.03Å; W152-D196 PolarHBondContact N-OD1 3.33Å; W152-D196 VanDerWaalsContact N-OD1 3.16Å
153	G	88.4	Confident	86.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.271	C	S	.	.			trans	-60.4	176.9	-177.7	0	0	0	0	0	114.8	T155 S162 R194 D196	G153-T155 PolarHBondContact O-N 3.49Å; G153-S162 PolarHBondContact O-N 3.32Å; G153-R194 CarbonylContact C-O 3.46Å; G153-R194 WeakPolarHBondContact CA-O 3.31Å; G153-D196 VanDerWaalsContact CA-OD1 3.28Å; G153-D196 WeakPolarHBondContact CA-OD1 3.23Å; G153-D196 PolarHBondContact N-OD1 2.81Å
154	Q	82.5	Confident	86.8	Confident	39 Å²	39	47.5 Å²	47.5	18%	0.182	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-56.9	131.1	-179.7	-74.4	-178.6	-32.5	0	0	112.1	G159 G193 R194	Q154-G159 VanDerWaalsContact CD-O 3.3Å; Q154-G159 WeakPolarHBondContact CG-O 3.42Å; Q154-G159 PolarHBondContact NE2-O 2.92Å; Q154-G193 WeakPolarHBondContact O-CA 3.38Å; Q154-R194 HydrophobicContact CB-CB 4.41Å; Q154-R194 HydrophobicContact CG-CB 3.99Å; Q154-R194 PolarHBondContact N-O 2.95Å
155	T	74.9	Confident	86.9	Confident	22 Å²	22	47.1 Å²	47.1	14%	0.135	28%	0.28	C	S	.	.	S	Bend	trans	-90.7	-13.9	-178.6	54.2	0	0	0	0	113.5	K24 I26 G153 M166	K24-T155 VanDerWaalsContact C-CG2 3.43Å; K24-T155 CarbonylContact O-C 3.59Å; K24-T155 WeakPolarHBondContact O-CA 3.39Å; K24-T155 WeakPolarHBondContact O-CB 3.29Å; K24-T155 WeakPolarHBondContact O-CG2 3.4Å; K24-T155 VanDerWaalsContact O-O 3.11Å; I26-T155 WeakPolarHBondContact CG1-O 3.46Å; G153-T155 PolarHBondContact O-N 3.49Å; T155-M166 HydrophobicContact CG2-CG 4.39Å
156	Q	69.9	Low	87	Confident	130 Å²	130	42.2 Å²	42.2	61%	0.607	25%	0.25	S	S	*	.	S	Bend	trans	-145.9	151.3	-178.2	-57.2	-179.7	23.8	0	0	108.5	N158 G159	Q156-N158 PolarHBondContact O-N 2.84Å; Q156-G159 PolarHBondContact O-N 2.73Å
157	A	66.3	Low	87.1	Confident	68 Å²	68	38.4 Å²	38.4	56%	0.562	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-32	-173	0	0	0	0	0	114.5
158	N	67.6	Low	86.9	Confident	164 Å²	164	38.6 Å²	38.6	88%	0.877	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120	18.5	178.9	-62.7	-32.9	0	0	0	112.9	Q156	Q156-N158 PolarHBondContact O-N 2.84Å
159	G	71.3	Confident	86.8	Confident	21 Å²	21	42.7 Å²	42.7	22%	0.216	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-86.9	170.8	-177.6	0	0	0	0	0	113.8	Q154 Q156	Q154-G159 VanDerWaalsContact CD-O 3.3Å; Q154-G159 WeakPolarHBondContact CG-O 3.42Å; Q154-G159 PolarHBondContact NE2-O 2.92Å; Q156-G159 PolarHBondContact O-N 2.73Å
160	G	81	Confident	86.6	Confident	55 Å²	55	43.2 Å²	43.2	57%	0.567	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-73.1	172.7	163.8	0	0	0	0	0	112.1
161	I	87	Confident	86.5	Confident	61 Å²	61	48.9 Å²	48.9	31%	0.313	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-60.8	154.6	165.5	60.3	166.7	0	0	0	110.3	F41 F53 W152	F41-I161 HydrophobicContact CE2-CD1 4.21Å; F41-I161 HydrophobicContact CZ-CD1 4.13Å; F53-I161 HydrophobicContact CD2-CD1 4.31Å; F53-I161 HydrophobicContact CE2-CD1 4.5Å; W152-I161 CarbonylContact O-C 3.54Å; W152-I161 WeakPolarHBondContact O-CA 3.32Å; W152-I161 WeakPolarHBondContact O-CB 3.4Å
162	S	91.1	Very high	86.4	Confident	8 Å²	8	49.7 Å²	49.7	6%	0.056	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-72.7	138	174.5	-171	0	0	0	0	111.2	W152 G153 K164 M166	W152-S162 PolarHBondContact O-N 2.78Å; G153-S162 PolarHBondContact O-N 3.32Å; S162-K164 VanDerWaalsContact CB-O 3.3Å; S162-K164 WeakPolarHBondContact CB-O 3.22Å; S162-K164 PolarHBondContact OG-N 3.05Å; S162-K164 PolarHBondContact OG-O 3.35Å; S162-M166 WeakPolarHBondContact OG-CG 3.49Å; S162-M166 PolarHBondContact OG-SD 3.35Å
163	D	93.2	Very high	86.3	Confident	60 Å²	60	51.7 Å²	51.7	32%	0.321	30%	0.298	S	S	.	.	S	Bend	trans	-67.7	-45.8	168.1	-66.8	-42.1	0	0	0	110.6	N83 T84 K85	N83-D163 CarbonylContact C-O 3.6Å; N83-D163 WeakPolarHBondContact CA-O 3.28Å; N83-D163 PolarHBondContact OD1-O 2.93Å; T84-D163 PolarHBondContact N-O 2.03Å; T84-D163 WeakPolarHBondContact OG1-CA 3.1Å; T84-D163 PolarHBondContact OG1-O 3.06Å; K85-D163 HydrophobicContact CD-CB 4.28Å; K85-D163 WeakPolarHBondContact CD-OD2 3.18Å; K85-D163 VanDerWaalsContact CE-CG 3.4Å; K85-D163 WeakPolarHBondContact CE-OD1 3.48Å; K85-D163 WeakPolarHBondContact CE-OD2 3.25Å; K85-D163 HydrophobicContact CG-CB 4.31Å; K85-D163 IonicContact NZ-OD1 3.99Å; K85-D163 IonicContact NZ-OD2 2.65Å; K85-D163 PolarHBondContact NZ-OD2 3.22Å
164	K	94.9	Very high	86.4	Confident	112 Å²	112	57.8 Å²	57.8	49%	0.487	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-89.2	147.9	-177.2	-63.8	-176.4	179.8	-178.8	0	111	V30 D82 W152 S162 M166	V30-K164 HydrophobicContact CG1-CB 4.2Å; V30-K164 HydrophobicContact CG1-CD 4Å; V30-K164 HydrophobicContact CG2-CD 4.35Å; D82-K164 CarbonylContact O-C 3.6Å; D82-K164 WeakPolarHBondContact O-CA 3.01Å; W152-K164 VanDerWaalsContact CD1-C 3.5Å; S162-K164 VanDerWaalsContact CB-O 3.3Å; S162-K164 WeakPolarHBondContact CB-O 3.22Å; S162-K164 PolarHBondContact OG-N 3.05Å; S162-K164 PolarHBondContact OG-O 3.35Å; K164-M166 WeakPolarHBondContact O-CG 3.08Å; K164-M166 PolarHBondContact O-N 3.18Å
165	L	95.8	Very high	86.7	Confident	8 Å²	8	57.3 Å²	57.3	4%	0.042	33%	0.325	C	S	.	.			trans	-62	130	170.9	-178.3	66.9	0	0	0	109.5	A31 R36 M39 D82 W152	A31-L165 HydrophobicContact CB-CB 4.4Å; A31-L165 HydrophobicContact CB-CD2 4.02Å; A31-L165 HydrophobicContact CB-CG 3.99Å; A31-L165 PolarHBondContact N-O 2.93Å; R36-L165 HydrophobicContact CB-CD2 3.76Å; R36-L165 HydrophobicContact CG-CD2 3.85Å; M39-L165 HydrophobicContact CE-CD1 4.08Å; M39-L165 HydrophobicContact CG-CD1 4.28Å; M39-L165 HydrophobicContact CG-CD2 4.15Å; D82-L165 PolarHBondContact O-N 2.73Å; W152-L165 HydrophobicContact CD2-CD1 3.89Å; W152-L165 HydrophobicContact CE3-CD1 4.03Å; W152-L165 HydrophobicContact CH2-CD1 3.86Å; W152-L165 HydrophobicContact CZ2-CB 3.92Å; W152-L165 HydrophobicContact CZ2-CD1 3.66Å; W152-L165 HydrophobicContact CZ2-CD2 4.46Å; W152-L165 HydrophobicContact CZ2-CG 4.21Å; W152-L165 HydrophobicContact CZ3-CD1 4.03Å
166	M	95.2	Very high	87.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	155.4	-178.9	-59.4	-49	-49.5	0	0	110	G23 I25 H29 V30 S150 G151 T155 S162 K164	G23-M166 VanDerWaalsContact C-CE 3.43Å; G23-M166 WeakPolarHBondContact O-CE 3.38Å; G23-M166 VanDerWaalsContact O-SD 3.32Å; I25-M166 HydrophobicContact CB-CB 4.06Å; I25-M166 VanDerWaalsContact CD1-C 3.48Å; I25-M166 HydrophobicContact CD1-CB 3.39Å; I25-M166 WeakPolarHBondContact CD1-O 3.2Å; I25-M166 HydrophobicContact CG1-CB 3.35Å; I25-M166 HydrophobicContact CG1-CG 4.23Å; H29-M166 WeakPolarHBondContact O-CE 3.32Å; V30-M166 HydrophobicContact CB-CE 4.37Å; V30-M166 HydrophobicContact CB-SD 4.43Å; V30-M166 HydrophobicContact CG2-CE 3.9Å; V30-M166 HydrophobicContact CG2-SD 3.82Å; V30-M166 VanDerWaalsContact N-CE 3.29Å; S150-M166 CarbonylContact C-O 3.43Å; S150-M166 WeakPolarHBondContact CA-O 3.26Å; S150-M166 WeakPolarHBondContact CB-O 3.06Å; G151-M166 PolarHBondContact N-O 3Å; G151-M166 WeakPolarHBondContact O-CB 3.26Å; G151-M166 PolarHBondContact O-N 2.83Å; T155-M166 HydrophobicContact CG2-CG 4.39Å; S162-M166 WeakPolarHBondContact OG-CG 3.49Å; S162-M166 PolarHBondContact OG-SD 3.35Å; K164-M166 WeakPolarHBondContact O-CG 3.08Å; K164-M166 PolarHBondContact O-N 3.18Å
167	E	94.7	Very high	88.2	Confident	16 Å²	16	59 Å²	59	8%	0.075	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	159.5	170.5	68.4	-178.2	-156.5	0	0	114.2	G28 H29 A31 R36 I148 V149 S150	G28-E167 CarbonylContact C-O 3.51Å; G28-E167 VanDerWaalsContact CA-O 3.27Å; G28-E167 WeakPolarHBondContact CA-O 3.46Å; H29-E167 PolarHBondContact N-O 3.23Å; H29-E167 IonicContact NE2-OE1 3.56Å; H29-E167 PolarHBondContact O-N 3.25Å; A31-E167 HydrophobicContact CB-CB 4.28Å; A31-E167 HydrophobicContact CB-CG 3.94Å; R36-E167 IonicContact CZ-OE1 3.13Å; R36-E167 IonicContact CZ-OE2 2.99Å; R36-E167 IonicContact NE-OE2 2.87Å; R36-E167 PolarHBondContact NE-OE2 2.86Å; R36-E167 IonicContact NH2-OE1 2.75Å; R36-E167 PolarHBondContact NH2-OE1 3.4Å; R36-E167 IonicContact NH2-OE2 3.89Å; R36-E167 PolarHBondContact NH2-OE2 3.22Å; I148-E167 HydrophobicContact CG2-CB 3.97Å; V149-E167 CarbonylContact O-C 3.56Å; V149-E167 VanDerWaalsContact O-CA 3.25Å; V149-E167 WeakPolarHBondContact O-CA 3.31Å; S150-E167 WeakPolarHBondContact OG-CB 3.43Å
168	M	92.4	Very high	89.3	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.025	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	151.6	174.8	65.7	170	-173.8	0	0	111.8	I25 I148 V149 V170 A190 P192	I25-M168 HydrophobicContact CG2-CB 4.22Å; I25-M168 HydrophobicContact CG2-CE 4.3Å; I25-M168 HydrophobicContact CG2-CG 3.85Å; I25-M168 HydrophobicContact CG2-SD 3.49Å; I25-M168 WeakPolarHBondContact CG2-SD 3.39Å; I148-M168 VanDerWaalsContact CA-O 3.29Å; I148-M168 WeakPolarHBondContact CA-O 3.05Å; V149-M168 HydrophobicContact CB-CE 4.12Å; V149-M168 HydrophobicContact CB-CG 4.49Å; V149-M168 HydrophobicContact CG2-CE 4.49Å; V149-M168 PolarHBondContact N-O 3.16Å; V149-M168 PolarHBondContact O-N 3.06Å; M168-V170 HydrophobicContact CE-CG2 3.7Å; M168-V170 HydrophobicContact CG-CG2 4.27Å; M168-A190 HydrophobicContact SD-CB 3.92Å; M168-P192 VanDerWaalsContact CE-CD 3.45Å; M168-P192 HydrophobicContact CE-CG 3.89Å
169	N	93	Very high	90.3	Very high	124 Å²	124	52.2 Å²	52.2	66%	0.663	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	139	169.1	-66.2	-40.9	0	0	0	110.2	C147	C147-N169 CarbonylContact O-C 3.39Å; C147-N169 WeakPolarHBondContact O-CA 3.15Å
170	V	92.1	Very high	91.2	Very high	11 Å²	11	59.5 Å²	59.5	7%	0.067	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.9	178.4	178.4	0	0	0	0	108.9	C147 V149 M168 L172 S186 L201 Y227	C147-V170 HydrophobicContact CB-CB 4.28Å; C147-V170 WeakPolarHBondContact CB-O 3.26Å; C147-V170 PolarHBondContact O-N 2.88Å; V149-V170 HydrophobicContact CB-CG2 4.2Å; V149-V170 HydrophobicContact CG2-CG2 3.67Å; M168-V170 HydrophobicContact CE-CG2 3.7Å; M168-V170 HydrophobicContact CG-CG2 4.27Å; V170-L172 HydrophobicContact CG1-CD2 4.11Å; V170-S186 VanDerWaalsContact CG1-CB 3.42Å; V170-L201 HydrophobicContact CB-CD1 4.17Å; V170-L201 HydrophobicContact CG1-CD1 4.19Å; V170-L201 HydrophobicContact CG2-CD1 4.48Å; V170-Y227 HydrophobicContact CG1-CE2 4.34Å
171	T	93	Very high	91.6	Very high	121 Å²	121	59.3 Å²	59.3	74%	0.742	31%	0.313	S	S	*	.			trans	-104.1	118.5	169.2	-57.4	0	0	0	0	108.1	S186	T171-S186 VanDerWaalsContact O-CB 3.23Å; T171-S186 WeakPolarHBondContact O-CB 3.31Å
172	L	94.3	Very high	91.9	Very high	17 Å²	17	60.6 Å²	60.6	9%	0.089	32%	0.316	C	S	.	.			trans	-76.5	146.8	174.6	-60.7	-177.9	0	0	0	110.1	L143 P144 V170 Y184 C185 L201 Y227	L143-L172 HydrophobicContact CB-CB 4.34Å; L143-L172 HydrophobicContact CD1-CB 4.12Å; L143-L172 HydrophobicContact CD2-CB 4.35Å; L143-L172 HydrophobicContact CD2-CD1 4.48Å; P144-L172 HydrophobicContact CG-CD1 3.57Å; V170-L172 HydrophobicContact CG1-CD2 4.11Å; L172-Y184 HydrophobicContact CD1-CD1 3.97Å; L172-Y184 HydrophobicContact CD1-CG 3.98Å; L172-C185 WeakPolarHBondContact CA-O 3.23Å; L172-L201 HydrophobicContact CD1-CD2 4.16Å; L172-L201 HydrophobicContact CD2-CD2 3.95Å; L172-Y227 HydrophobicContact CD2-CD2 4.34Å; L172-Y227 HydrophobicContact CD2-CE2 4.25Å
173	N	93	Very high	92	Very high	43 Å²	43	60.6 Å²	60.6	23%	0.23	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-127.8	149.9	175.8	63	-97.5	0	0	0	110.8	L143 N175 C185 S186 N187	L143-N173 VanDerWaalsContact CD1-C 3.48Å; N173-N175 PolarHBondContact O-N 2.84Å; N173-C185 PolarHBondContact N-O 2.74Å; N173-C185 PolarHBondContact OD1-O 3.42Å; N173-S186 VanDerWaalsContact OD1-CA 3.23Å; N173-S186 WeakPolarHBondContact OD1-CA 3.4Å; N173-N187 PolarHBondContact OD1-N 2.83Å
174	E	91.2	Very high	92.1	Very high	128 Å²	128	58 Å²	58	60%	0.598	30%	0.301	S	S	*	.			trans	-62.4	131.2	171.7	-69.2	-63.6	164.5	0	0	109.5	L143	L143-E174 HydrophobicContact CD1-CG 4.04Å; L143-E174 WeakPolarHBondContact CG-OE1 3.29Å
175	N	89.8	Confident	92.1	Very high	30 Å²	30	52.8 Å²	52.8	16%	0.16	28%	0.278	C	S	.	.			trans	-151.5	115.4	177.8	-176.1	-54.2	0	0	0	109.4	N173 I177 C178 T179 C185	N173-N175 PolarHBondContact O-N 2.84Å; N175-I177 VanDerWaalsContact C-N 3.26Å; N175-I177 PolarHBondContact O-N 2.94Å; N175-I177 WeakPolarHBondContact OD1-CA 3.34Å; N175-I177 WeakPolarHBondContact OD1-CB 3.41Å; N175-I177 PolarHBondContact OD1-N 3.26Å; N175-C178 HydrophobicContact CB-CB 4.01Å; N175-C178 PolarHBondContact O-N 3.33Å; N175-C178 PolarHBondContact OD1-N 2.04Å; N175-C178 PolarHBondContact OD1-SG 3.04Å; N175-C178 VanDerWaalsContact OD1-SG 3.42Å; N175-T179 PolarHBondContact O-N 3.41Å; N175-T179 PolarHBondContact O-OG1 2.79Å; N175-T179 VanDerWaalsContact O-OG1 3.04Å; N175-C185 HydrophobicContact CB-CB 4.17Å
176	S	88.6	Confident	91.9	Very high	84 Å²	84	52.8 Å²	52.8	59%	0.587	28%	0.279	S	S	*	.	H	α-helix	trans	-63.2	-29.3	-174.1	63.5	0	0	0	0	113.8	K180	S176-K180 WeakPolarHBondContact O-CB 3.16Å; S176-K180 WeakPolarHBondContact O-CG 3.23Å; S176-K180 PolarHBondContact O-N 2.97Å; S176-K180 VanDerWaalsContact O-N 3.11Å
177	I	86.4	Confident	91.6	Very high	103 Å²	103	56.2 Å²	56.2	53%	0.528	30%	0.297	S	S	.	.	H	α-helix	trans	-68.5	-44.7	174.4	-61.5	171	0	0	0	108.9	N175 K180 N181	N175-I177 VanDerWaalsContact C-N 3.26Å; N175-I177 PolarHBondContact O-N 2.94Å; N175-I177 WeakPolarHBondContact OD1-CA 3.34Å; N175-I177 WeakPolarHBondContact OD1-CB 3.41Å; N175-I177 PolarHBondContact OD1-N 3.26Å; I177-K180 PolarHBondContact O-N 3.34Å; I177-N181 PolarHBondContact O-N 2.87Å; I177-N181 PolarHBondContact O-ND2 3.06Å
178	C	90.3	Very high	90.8	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.02	30%	0.304	C	S	.	.	H	α-helix	trans	-66.9	-46.4	-179.2	-52.1	0	0	0	0	111.2	N175 K180 N181 K182 L183 C185	N175-C178 HydrophobicContact CB-CB 4.01Å; N175-C178 PolarHBondContact O-N 3.33Å; N175-C178 PolarHBondContact OD1-N 2.04Å; N175-C178 PolarHBondContact OD1-SG 3.04Å; N175-C178 VanDerWaalsContact OD1-SG 3.42Å; C178-K180 VanDerWaalsContact C-N 3.33Å; C178-K180 PolarHBondContact O-N 3.49Å; C178-N181 CarbonylContact O-C 3.46Å; C178-N181 PolarHBondContact O-N 2.83Å; C178-K182 PolarHBondContact O-N 3.34Å; C178-K182 VanDerWaalsContact O-N 3.13Å; C178-L183 CarbonylContact C-O 3.51Å; C178-L183 VanDerWaalsContact C-O 3.29Å; C178-L183 HydrophobicContact CB-CB 3.89Å; C178-L183 WeakPolarHBondContact CB-O 3.5Å; C178-L183 PolarHBondContact O-N 2.9Å; C178-C185 HydrophobicContact CB-CB 3.8Å; C178-C185 WeakPolarHBondContact CB-SG 3.48Å; C178-C185 WeakPolarHBondContact SG-CB 3.46Å; C178-C185 CovalentContact SG-SG 2Å; C178-C185 PolarHBondContact SG-SG 3.18Å
179	T	88.2	Confident	89.9	Confident	86 Å²	86	61.1 Å²	61.1	53%	0.528	33%	0.333	S	S	.	.	H	α-helix	trans	-57.4	-45.2	176.5	-50.1	0	0	0	0	111.8	N175 N181 K182	N175-T179 PolarHBondContact O-N 3.41Å; N175-T179 PolarHBondContact O-OG1 2.79Å; N175-T179 VanDerWaalsContact O-OG1 3.04Å; T179-N181 PolarHBondContact O-N 3.43Å; T179-K182 PolarHBondContact O-N 3.02Å
180	K	89.1	Confident	89.2	Confident	174 Å²	174	56.7 Å²	56.7	76%	0.757	31%	0.314	S	S	*	.	H	α-helix	trans	-62.3	-30	177.6	-77.5	175.3	-177.9	-176.5	0	113.4	S176 I177 C178	S176-K180 WeakPolarHBondContact O-CB 3.16Å; S176-K180 WeakPolarHBondContact O-CG 3.23Å; S176-K180 PolarHBondContact O-N 2.97Å; S176-K180 VanDerWaalsContact O-N 3.11Å; I177-K180 PolarHBondContact O-N 3.34Å; C178-K180 VanDerWaalsContact C-N 3.33Å; C178-K180 PolarHBondContact O-N 3.49Å
181	N	89.8	Confident	88.7	Confident	52 Å²	52	57.9 Å²	57.9	28%	0.278	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	14.6	-176.9	-67.7	-67.4	0	0	0	113.3	N112 I177 C178 T179 L183	N112-N181 PolarHBondContact ND2-OD1 2.91Å; N112-N181 WeakPolarHBondContact OD1-CB 3.42Å; N112-N181 PolarHBondContact OD1-OD1 2.84Å; N112-N181 VanDerWaalsContact OD1-OD1 3.09Å; I177-N181 PolarHBondContact O-N 2.87Å; I177-N181 PolarHBondContact O-ND2 3.06Å; C178-N181 CarbonylContact O-C 3.46Å; C178-N181 PolarHBondContact O-N 2.83Å; T179-N181 PolarHBondContact O-N 3.43Å; N181-L183 VanDerWaalsContact C-N 3.31Å; N181-L183 HydrophobicContact CB-CD1 3.88Å; N181-L183 HydrophobicContact CB-CG 4.1Å; N181-L183 PolarHBondContact O-N 3.47Å
182	K	93.1	Very high	88.3	Confident	87 Å²	87	52.6 Å²	52.6	38%	0.378	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	44	-177.6	-50.8	167.7	-176.5	172.4	0	112.2	D113 C178 T179 K229 C232 Y233	D113-K182 IonicContact OD1-NZ 3.94Å; C178-K182 PolarHBondContact O-N 3.34Å; C178-K182 VanDerWaalsContact O-N 3.13Å; T179-K182 PolarHBondContact O-N 3.02Å; K182-K229 WeakPolarHBondContact O-CB 3.44Å; K182-K229 PolarHBondContact O-N 2.9Å; K182-C232 HydrophobicContact CB-CB 4.09Å; K182-C232 HydrophobicContact CD-CB 4.07Å; K182-C232 HydrophobicContact CG-CB 4.21Å; K182-Y233 HydrophobicContact CB-CE2 4.35Å; K182-Y233 HydrophobicContact CD-CE2 4.49Å; K182-Y233 WeakPolarHBondContact CD-OH 3.25Å
183	L	94.3	Very high	87.8	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147.7	178.6	-56.6	169.7	0	0	0	110	C178 N181 F214 A226 Y227	C178-L183 CarbonylContact C-O 3.51Å; C178-L183 VanDerWaalsContact C-O 3.29Å; C178-L183 HydrophobicContact CB-CB 3.89Å; C178-L183 WeakPolarHBondContact CB-O 3.5Å; C178-L183 PolarHBondContact O-N 2.9Å; N181-L183 VanDerWaalsContact C-N 3.31Å; N181-L183 HydrophobicContact CB-CD1 3.88Å; N181-L183 HydrophobicContact CB-CG 4.1Å; N181-L183 PolarHBondContact O-N 3.47Å; L183-F214 HydrophobicContact CD1-CE1 3.78Å; L183-F214 HydrophobicContact CD1-CZ 4.03Å; L183-A226 HydrophobicContact CD1-CB 4.12Å; L183-Y227 CarbonylContact C-O 3.48Å; L183-Y227 VanDerWaalsContact CA-O 3.25Å; L183-Y227 WeakPolarHBondContact CA-O 3.32Å
184	Y	94.9	Very high	87.3	Confident	7 Å²	7	58.9 Å²	58.9	3%	0.027	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	152.8	155	-66	-59.3	0	0	0	109.9	L143 L172 L201 Y209 A226 Y227 K229	L143-Y184 HydrophobicContact CD2-CD1 3.73Å; L143-Y184 HydrophobicContact CD2-CE1 3.91Å; L172-Y184 HydrophobicContact CD1-CD1 3.97Å; L172-Y184 HydrophobicContact CD1-CG 3.98Å; Y184-L201 HydrophobicContact CD2-CD2 4.26Å; Y184-Y209 HydrophobicContact CE2-CD1 4.43Å; Y184-Y209 WeakPolarHBondContact CE2-O 3.39Å; Y184-A226 WeakPolarHBondContact O-CA 3.47Å; Y184-Y227 PolarHBondContact N-O 3.25Å; Y184-Y227 PolarHBondContact O-N 2.98Å; Y184-K229 HydrophobicContact CD1-CD 4.3Å; Y184-K229 HydrophobicContact CD2-CB 4.12Å; Y184-K229 HydrophobicContact CD2-CG 4.11Å; Y184-K229 HydrophobicContact CE1-CD 3.77Å; Y184-K229 HydrophobicContact CE1-CG 4.16Å; Y184-K229 HydrophobicContact CE2-CB 4.03Å; Y184-K229 HydrophobicContact CE2-CD 4.1Å; Y184-K229 HydrophobicContact CE2-CG 3.54Å; Y184-K229 VanDerWaalsContact OH-CE 3.25Å; Y184-K229 WeakPolarHBondContact OH-CE 3.47Å
185	C	94.2	Very high	86.9	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	146.5	175.6	-77.5	0	0	0	0	112.5	L172 N173 N175 C178 M224 V225	L172-C185 WeakPolarHBondContact CA-O 3.23Å; N173-C185 PolarHBondContact N-O 2.74Å; N173-C185 PolarHBondContact OD1-O 3.42Å; N175-C185 HydrophobicContact CB-CB 4.17Å; C178-C185 HydrophobicContact CB-CB 3.8Å; C178-C185 WeakPolarHBondContact CB-SG 3.48Å; C178-C185 WeakPolarHBondContact SG-CB 3.46Å; C178-C185 CovalentContact SG-SG 2Å; C178-C185 PolarHBondContact SG-SG 3.18Å; C185-M224 HydrophobicContact CB-CG 4.2Å; C185-M224 HydrophobicContact CB-SD 4.46Å; C185-V225 VanDerWaalsContact CA-O 3.3Å; C185-V225 WeakPolarHBondContact CA-O 3.4Å
186	S	93.3	Very high	87	Confident	8 Å²	8	51.8 Å²	51.8	6%	0.056	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.3	169.6	62.4	0	0	0	0	109.4	V170 T171 N173 M224 V225 Y227	V170-S186 VanDerWaalsContact CG1-CB 3.42Å; T171-S186 VanDerWaalsContact O-CB 3.23Å; T171-S186 WeakPolarHBondContact O-CB 3.31Å; N173-S186 VanDerWaalsContact OD1-CA 3.23Å; N173-S186 WeakPolarHBondContact OD1-CA 3.4Å; S186-M224 WeakPolarHBondContact O-CA 3.43Å; S186-V225 PolarHBondContact N-O 3.11Å; S186-V225 PolarHBondContact O-N 3.04Å; S186-Y227 WeakPolarHBondContact OG-CE2 3.45Å; S186-Y227 PolarHBondContact OG-OH 3.18Å; S186-Y227 VanDerWaalsContact OG-OH 3.06Å
187	N	88.9	Confident	87.3	Confident	72 Å²	72	49.1 Å²	49.1	39%	0.385	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.3	172.1	-67.3	-22.2	0	0	0	109.8	N173 L222 S223 M224	N173-N187 PolarHBondContact OD1-N 2.83Å; N187-L222 HydrophobicContact CB-CD1 4.26Å; N187-S223 WeakPolarHBondContact CA-O 3.48Å; N187-M224 WeakPolarHBondContact OD1-CA 3.36Å; N187-M224 WeakPolarHBondContact OD1-CB 3.41Å; N187-M224 WeakPolarHBondContact OD1-CG 3.39Å
188	G	77.8	Confident	87.9	Confident	22 Å²	22	44.2 Å²	44.2	23%	0.227	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.4	174.4	175	0	0	0	0	0	113.8	S223	G188-S223 PolarHBondContact N-O 2.81Å; G188-S223 PolarHBondContact O-N 2.86Å
189	T	73.1	Confident	88.2	Confident	103 Å²	103	44 Å²	44	63%	0.632	23%	0.23	S	C	*	.	S	Bend	trans	-76.5	-32.7	168.8	52.1	0	0	0	0	110.8	D221	T189-D221 WeakPolarHBondContact CA-O 3.01Å; T189-D221 HydrophobicContact CG2-CB 4.24Å; T189-D221 WeakPolarHBondContact CG2-O 3.31Å
190	A	77.4	Confident	88.7	Confident	30 Å²	30	40 Å²	40	25%	0.248	21%	0.205	C	C	.	.			trans	-81.9	131.7	173.4	0	0	0	0	0	111.2	I26 M168	I26-A190 CarbonylContact O-C 3.49Å; I26-A190 WeakPolarHBondContact O-CA 3.11Å; I26-A190 VanDerWaalsContact O-CB 3.3Å; I26-A190 WeakPolarHBondContact O-CB 3.27Å; M168-A190 HydrophobicContact SD-CB 3.92Å
191	R	81.1	Confident	89.1	Confident	37 Å²	37	31.7 Å²	31.7	14%	0.14	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-158	156	-173.8	60.9	178.6	-179	82.9	-6	112.7	I25 I26 M215 S223 V225	I25-R191 WeakPolarHBondContact CG2-O 3.33Å; I26-R191 HydrophobicContact CB-CG 4.28Å; I26-R191 HydrophobicContact CD1-CG 4.33Å; I26-R191 VanDerWaalsContact CD1-CZ 3.49Å; I26-R191 PolarHBondContact O-N 3.07Å; I26-R191 VanDerWaalsContact O-N 3.08Å; R191-M215 PolarHBondContact NH1-SD 2.83Å; R191-S223 WeakPolarHBondContact CD-OG 3.26Å; R191-V225 HydrophobicContact CB-CG2 3.78Å
192	P	85.3	Confident	89.5	Confident	9 Å²	9	29.7 Å²	29.7	6%	0.058	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-58.7	143.6	166.9	-17.4	32.7	0	0	0	110.5	V149 M168 D196 V212 V225	V149-P192 HydrophobicContact CG1-CG 4.14Å; M168-P192 VanDerWaalsContact CE-CD 3.45Å; M168-P192 HydrophobicContact CE-CG 3.89Å; P192-D196 WeakPolarHBondContact CA-OD2 3.35Å; P192-D196 HydrophobicContact CB-CB 3.69Å; P192-V212 HydrophobicContact CB-CG1 3.98Å; P192-V212 HydrophobicContact CG-CG1 4.03Å; P192-V212 HydrophobicContact CG-CG2 4.44Å; P192-V225 HydrophobicContact CG-CG1 3.84Å
193	G	84.3	Confident	89.7	Confident	9 Å²	9	25.7 Å²	25.7	9%	0.093	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-93.4	173.2	174.2	0	0	0	0	0	112.3	Q154 G195 D196	Q154-G193 WeakPolarHBondContact O-CA 3.38Å; G193-G195 PolarHBondContact O-N 3.02Å; G193-D196 PolarHBondContact N-OD2 2.81Å; G193-D196 PolarHBondContact O-N 3.07Å; G193-D196 VanDerWaalsContact O-N 3.13Å
194	R	82.3	Confident	89.6	Confident	184 Å²	184	27.8 Å²	27.8	69%	0.694	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	124.6	170.9	-171	-175.7	-179.3	-158.5	0.4	109	G153 Q154	G153-R194 CarbonylContact C-O 3.46Å; G153-R194 WeakPolarHBondContact CA-O 3.31Å; Q154-R194 HydrophobicContact CB-CB 4.41Å; Q154-R194 HydrophobicContact CG-CB 3.99Å; Q154-R194 PolarHBondContact N-O 2.95Å
195	G	83.4	Confident	89.4	Confident	8 Å²	8	37 Å²	37	8%	0.082	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.7	-27.8	-176.1	0	0	0	0	0	113.5	C54 D55 G193 S197	C54-G195 CarbonylContact C-O 3.57Å; C54-G195 WeakPolarHBondContact CA-O 3.44Å; D55-G195 PolarHBondContact N-O 3.35Å; G193-G195 PolarHBondContact O-N 3.02Å; G195-S197 PolarHBondContact O-N 3.13Å
196	D	92.3	Very high	89.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.226	C	C	.	.			trans	-75	-9.4	177.1	-65.1	-40.4	0	0	0	113.2	D55 G151 W152 G153 P192 G193 G198 G199	D55-D196 WeakPolarHBondContact OD2-CA 3.44Å; G151-D196 WeakPolarHBondContact CA-OD1 3.02Å; W152-D196 PolarHBondContact N-OD1 3.33Å; W152-D196 VanDerWaalsContact N-OD1 3.16Å; G153-D196 VanDerWaalsContact CA-OD1 3.28Å; G153-D196 WeakPolarHBondContact CA-OD1 3.23Å; G153-D196 PolarHBondContact N-OD1 2.81Å; P192-D196 WeakPolarHBondContact CA-OD2 3.35Å; P192-D196 HydrophobicContact CB-CB 3.69Å; G193-D196 PolarHBondContact N-OD2 2.81Å; G193-D196 PolarHBondContact O-N 3.07Å; G193-D196 VanDerWaalsContact O-N 3.13Å; D196-G198 PolarHBondContact O-N 2.72Å; D196-G199 PolarHBondContact O-N 2.61Å
197	S	94.7	Very high	89.5	Confident	28 Å²	28	39.9 Å²	39.9	20%	0.196	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	129.4	174.9	-78	0	0	0	0	112.1	C54 D55 H69 G195 G199	C54-S197 VanDerWaalsContact CB-O 3.29Å; C54-S197 WeakPolarHBondContact CB-O 3.39Å; D55-S197 PolarHBondContact N-O 2.94Å; H69-S197 WeakPolarHBondContact NE2-CB 3.34Å; H69-S197 PolarHBondContact NE2-OG 3.4Å; G195-S197 PolarHBondContact O-N 3.13Å; S197-G199 VanDerWaalsContact C-N 3.27Å; S197-G199 PolarHBondContact O-N 2.96Å
198	G	97.8	Very high	90	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-9.1	-177.8	0	0	0	0	0	115.1	D55 G56 A67 D196 V212	D55-G198 CarbonylContact O-C 3.56Å; D55-G198 WeakPolarHBondContact O-CA 3.42Å; G56-G198 WeakPolarHBondContact CA-O 3.02Å; A67-G198 VanDerWaalsContact N-CA 3.33Å; D196-G198 PolarHBondContact O-N 2.72Å; G198-V212 PolarHBondContact N-O 3.41Å
199	G	98.1	Very high	90.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.212	C	C	.	.			trans	-64.6	162.7	173.1	0	0	0	0	0	112.9	D196 S197 V211 V212	D196-G199 PolarHBondContact O-N 2.61Å; S197-G199 VanDerWaalsContact C-N 3.27Å; S197-G199 PolarHBondContact O-N 2.96Å; G199-V211 WeakPolarHBondContact O-CA 3.43Å; G199-V212 WeakPolarHBondContact O-CG2 3.48Å; G199-V212 PolarHBondContact O-N 3.22Å
200	P	98.3	Very high	92.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	143	-178.4	32.4	-32.5	0	0	0	112.6	Y38 M39 F57 V202	Y38-P200 HydrophobicContact CD2-CG 4Å; Y38-P200 HydrophobicContact CE2-CG 3.62Å; M39-P200 VanDerWaalsContact SD-CD 3.5Å; M39-P200 HydrophobicContact SD-CG 3.62Å; F57-P200 HydrophobicContact CB-CB 4.18Å; F57-P200 HydrophobicContact CB-CG 3.94Å; F57-P200 HydrophobicContact CD1-CB 3.48Å; F57-P200 VanDerWaalsContact CD1-CB 3.48Å; F57-P200 HydrophobicContact CD1-CG 3.91Å; F57-P200 HydrophobicContact CD2-CB 4.28Å; F57-P200 HydrophobicContact CE1-CB 3.77Å; F57-P200 HydrophobicContact CE2-CB 4.5Å; F57-P200 HydrophobicContact CG-CB 3.73Å; F57-P200 HydrophobicContact CG-CG 4.04Å; F57-P200 HydrophobicContact CZ-CB 4.25Å; P200-V202 HydrophobicContact CB-CG2 3.74Å; P200-V202 HydrophobicContact CG-CG2 4.04Å
201	L	97.8	Very high	93.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	108.3	155	177.3	75.3	0	0	0	107.7	C147 V149 V170 L172 Y184 Y209 G210 Y227	C147-L201 HydrophobicContact CB-CD1 3.76Å; C147-L201 HydrophobicContact CB-CG 4.34Å; V149-L201 HydrophobicContact CG2-CB 4.43Å; V149-L201 HydrophobicContact CG2-CD1 3.58Å; V170-L201 HydrophobicContact CB-CD1 4.17Å; V170-L201 HydrophobicContact CG1-CD1 4.19Å; V170-L201 HydrophobicContact CG2-CD1 4.48Å; L172-L201 HydrophobicContact CD1-CD2 4.16Å; L172-L201 HydrophobicContact CD2-CD2 3.95Å; Y184-L201 HydrophobicContact CD2-CD2 4.26Å; L201-Y209 PolarHBondContact O-N 2.89Å; L201-G210 PolarHBondContact N-O 3.06Å; L201-G210 PolarHBondContact O-N 3.21Å; L201-Y227 HydrophobicContact CB-CD1 3.95Å; L201-Y227 HydrophobicContact CB-CE1 4.46Å; L201-Y227 HydrophobicContact CB-CG 4.32Å; L201-Y227 HydrophobicContact CD1-CD1 4.4Å; L201-Y227 HydrophobicContact CD1-CE1 4.2Å; L201-Y227 HydrophobicContact CD2-CD1 4.35Å; L201-Y227 HydrophobicContact CD2-CD2 4.12Å; L201-Y227 HydrophobicContact CD2-CG 3.97Å; L201-Y227 HydrophobicContact CG-CD1 4.47Å
202	V	98.1	Very high	93.9	Very high	10 Å²	10	29.8 Å²	29.8	6%	0.061	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.9	-177.3	179.9	0	0	0	0	109.8	Y38 C147 I148 P200 G206 T207	Y38-V202 HydrophobicContact CE2-CG2 3.91Å; Y38-V202 WeakPolarHBondContact OH-CG2 3.38Å; C147-V202 CarbonylContact C-O 3.52Å; C147-V202 VanDerWaalsContact CA-O 3.26Å; C147-V202 WeakPolarHBondContact CA-O 3.29Å; I148-V202 PolarHBondContact N-O 3.49Å; I148-V202 PolarHBondContact O-N 3.35Å; P200-V202 HydrophobicContact CB-CG2 3.74Å; P200-V202 HydrophobicContact CG-CG2 4.04Å; V202-G206 VanDerWaalsContact CG1-C 3.41Å; V202-G206 VanDerWaalsContact CG1-CA 3.48Å; V202-T207 CarbonylContact C-O 3.51Å; V202-T207 VanDerWaalsContact CA-O 3.31Å; V202-T207 WeakPolarHBondContact CA-O 3.4Å
203	C	96.6	Very high	94.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	166.1	-175.5	-50.6	0	0	0	0	112.2	P144 T145 C147 Q205 G206 T207 Y209	P144-C203 HydrophobicContact CB-CB 3.76Å; P144-C203 HydrophobicContact CG-CB 4.36Å; T145-C203 WeakPolarHBondContact O-CB 3.23Å; C147-C203 HydrophobicContact CB-CB 4.05Å; C147-C203 WeakPolarHBondContact CB-SG 3.4Å; C147-C203 WeakPolarHBondContact SG-CB 3.25Å; C147-C203 CovalentContact SG-SG 2.04Å; C147-C203 PolarHBondContact SG-SG 3.23Å; C203-Q205 PolarHBondContact O-N 2.87Å; C203-G206 PolarHBondContact O-N 3.04Å; C203-T207 PolarHBondContact N-O 3.03Å; C203-T207 PolarHBondContact O-N 2.88Å; C203-T207 VanDerWaalsContact O-N 3.16Å; C203-Y209 HydrophobicContact CB-CD2 3.61Å; C203-Y209 HydrophobicContact CB-CE2 3.99Å; C203-Y209 HydrophobicContact CB-CG 4.34Å
204	G	92.8	Very high	94.6	Very high	53 Å²	53	31.7 Å²	31.7	55%	0.546	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-121.5	176.5	0	0	0	0	0	112.6	T145 G206	T145-G204 PolarHBondContact O-N 3.05Å; G204-G206 PolarHBondContact O-N 2.82Å
205	Q	89	Confident	94.8	Very high	200 Å²	200	26.6 Å²	26.6	94%	0.935	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	37.1	-177.4	-62.8	-175.8	-11.3	0	0	113.3	C203	C203-Q205 PolarHBondContact O-N 2.87Å
206	G	94.5	Very high	94.8	Very high	36 Å²	36	28.4 Å²	28.4	37%	0.371	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	28.5	175.4	0	0	0	0	0	114.5	V133 V202 C203 G204	V133-G206 VanDerWaalsContact CG2-O 3.29Å; V133-G206 WeakPolarHBondContact CG2-O 3.11Å; V202-G206 VanDerWaalsContact CG1-C 3.41Å; V202-G206 VanDerWaalsContact CG1-CA 3.48Å; C203-G206 PolarHBondContact O-N 3.04Å; G204-G206 PolarHBondContact O-N 2.82Å
207	T	96.9	Very high	94	Very high	34 Å²	34	33.6 Å²	33.6	21%	0.209	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.9	178	-55.5	0	0	0	0	110.5	L135 A136 V202 C203 Y209	L135-T207 VanDerWaalsContact C-CG2 3.47Å; A136-T207 HydrophobicContact CB-CG2 3.88Å; A136-T207 VanDerWaalsContact N-CG2 3.27Å; V202-T207 CarbonylContact C-O 3.51Å; V202-T207 VanDerWaalsContact CA-O 3.31Å; V202-T207 WeakPolarHBondContact CA-O 3.4Å; C203-T207 PolarHBondContact N-O 3.03Å; C203-T207 PolarHBondContact O-N 2.88Å; C203-T207 VanDerWaalsContact O-N 3.16Å; T207-Y209 HydrophobicContact CG2-CD2 4.28Å; T207-Y209 HydrophobicContact CG2-CE2 3.98Å; T207-Y209 WeakPolarHBondContact O-CD2 3.46Å; T207-Y209 PolarHBondContact O-N 3.26Å
208	A	98.1	Very high	92.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	116	174.7	0	0	0	0	0	110.4	F57 V133 A134 L135 A136 I230	F57-A208 HydrophobicContact CD2-CB 4.45Å; F57-A208 HydrophobicContact CE2-CB 3.91Å; F57-A208 HydrophobicContact CZ-CB 4.43Å; V133-A208 HydrophobicContact CG1-CB 4.02Å; V133-A208 HydrophobicContact CG2-CB 4.08Å; A134-A208 PolarHBondContact O-N 2.87Å; L135-A208 HydrophobicContact CD2-CB 3.95Å; A136-A208 PolarHBondContact N-O 2.93Å; A208-I230 HydrophobicContact CB-CD1 4Å
209	Y	97.6	Very high	91.6	Very high	45 Å²	45	41.1 Å²	41.1	18%	0.176	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-27.1	178.7	-85.2	-95.5	0	0	0	112.8	A136 P144 Y184 L201 C203 T207 I230	A136-Y209 HydrophobicContact CB-CD1 3.49Å; A136-Y209 VanDerWaalsContact CB-CD1 3.49Å; A136-Y209 HydrophobicContact CB-CD2 4.02Å; A136-Y209 HydrophobicContact CB-CE1 3.54Å; A136-Y209 HydrophobicContact CB-CE2 4.07Å; A136-Y209 HydrophobicContact CB-CG 3.75Å; P144-Y209 HydrophobicContact CB-CD1 3.79Å; P144-Y209 HydrophobicContact CB-CD2 4.12Å; P144-Y209 HydrophobicContact CB-CE1 3.76Å; P144-Y209 HydrophobicContact CB-CE2 4.08Å; P144-Y209 HydrophobicContact CB-CG 3.97Å; P144-Y209 HydrophobicContact CG-CD1 3.62Å; P144-Y209 HydrophobicContact CG-CD2 4.41Å; P144-Y209 HydrophobicContact CG-CE1 4.06Å; P144-Y209 HydrophobicContact CG-CG 3.81Å; Y184-Y209 HydrophobicContact CE2-CD1 4.43Å; Y184-Y209 WeakPolarHBondContact CE2-O 3.39Å; L201-Y209 PolarHBondContact O-N 2.89Å; C203-Y209 HydrophobicContact CB-CD2 3.61Å; C203-Y209 HydrophobicContact CB-CE2 3.99Å; C203-Y209 HydrophobicContact CB-CG 4.34Å; T207-Y209 HydrophobicContact CG2-CD2 4.28Å; T207-Y209 HydrophobicContact CG2-CE2 3.98Å; T207-Y209 WeakPolarHBondContact O-CD2 3.46Å; T207-Y209 PolarHBondContact O-N 3.26Å; Y209-I230 WeakPolarHBondContact O-CB 3.24Å; Y209-I230 PolarHBondContact O-N 3.16Å
210	G	97.5	Very high	90	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	165.7	-176.1	0	0	0	0	0	114.6	L201 T228	L201-G210 PolarHBondContact N-O 3.06Å; L201-G210 PolarHBondContact O-N 3.21Å; G210-T228 CarbonylContact C-O 3.55Å; G210-T228 WeakPolarHBondContact CA-O 3.49Å
211	V	98.4	Very high	88.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.1	172.1	-175.7	0	0	0	0	108.4	F57 M65 A67 I115 G199 S213 Y227 T228 I230	F57-V211 HydrophobicContact CE1-CG2 4.04Å; F57-V211 HydrophobicContact CZ-CG2 3.98Å; M65-V211 HydrophobicContact CG-CG2 4.09Å; M65-V211 HydrophobicContact SD-CG2 3.59Å; M65-V211 VanDerWaalsContact SD-CG2 3.59Å; A67-V211 HydrophobicContact CB-CG1 4.13Å; I115-V211 HydrophobicContact CD1-CG2 4.46Å; I115-V211 HydrophobicContact CG1-CG2 4.39Å; G199-V211 WeakPolarHBondContact O-CA 3.43Å; V211-S213 PolarHBondContact O-N 3.03Å; V211-S213 VanDerWaalsContact O-N 3.11Å; V211-Y227 CarbonylContact O-C 3.29Å; V211-Y227 WeakPolarHBondContact O-CA 3.4Å; V211-T228 PolarHBondContact N-O 2.94Å; V211-T228 PolarHBondContact O-N 2.85Å; V211-I230 HydrophobicContact CG2-CD1 4.1Å; V211-I230 HydrophobicContact CG2-CG1 3.97Å
212	V	97.3	Very high	87.4	Confident	7 Å²	7	54.2 Å²	54.2	4%	0.042	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	116.6	176	178.6	0	0	0	0	109.3	V149 P192 G198 G199 Y227	V149-V212 HydrophobicContact CG1-CG2 3.81Å; P192-V212 HydrophobicContact CB-CG1 3.98Å; P192-V212 HydrophobicContact CG-CG1 4.03Å; P192-V212 HydrophobicContact CG-CG2 4.44Å; G198-V212 PolarHBondContact N-O 3.41Å; G199-V212 WeakPolarHBondContact O-CG2 3.48Å; G199-V212 PolarHBondContact O-N 3.22Å; V212-Y227 HydrophobicContact CB-CD1 4.39Å; V212-Y227 HydrophobicContact CG2-CD1 3.92Å; V212-Y227 HydrophobicContact CG2-CE1 3.91Å
213	S	94.8	Very high	86.6	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-81.4	-173.7	176.3	0	0	0	0	111.3	H69 D114 V211 A226	H69-S213 PolarHBondContact CE1-O 2.91Å; D114-S213 WeakPolarHBondContact CB-OG 3.14Å; D114-S213 WeakPolarHBondContact OD2-CB 3.47Å; D114-S213 PolarHBondContact OD2-OG 2.75Å; V211-S213 PolarHBondContact O-N 3.03Å; V211-S213 VanDerWaalsContact O-N 3.11Å; S213-A226 PolarHBondContact N-O 3.48Å
214	F	90.6	Very high	86.3	Confident	55 Å²	55	54.1 Å²	54.1	24%	0.241	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	167.5	-177.9	69	-88.8	0	0	0	112	F111 L183 M224 A226	F111-F214 HydrophobicContact CB-CD1 3.39Å; F111-F214 HydrophobicContact CB-CE1 3.69Å; F111-F214 HydrophobicContact CB-CG 4.19Å; F111-F214 HydrophobicContact CD1-CB 4.09Å; F111-F214 HydrophobicContact CD1-CD1 4.31Å; F111-F214 HydrophobicContact CE1-CB 4.39Å; F111-F214 HydrophobicContact CG-CB 4.23Å; F111-F214 AromaticContact CG-CD1 3.86Å; F111-F214 HydrophobicContact CG-CD1 3.86Å; F111-F214 HydrophobicContact CG-CG 4.19Å; L183-F214 HydrophobicContact CD1-CE1 3.78Å; L183-F214 HydrophobicContact CD1-CZ 4.03Å; F214-M224 HydrophobicContact CE2-CE 3.79Å; F214-M224 HydrophobicContact CZ-CE 4.23Å; F214-A226 HydrophobicContact CD1-CB 3.86Å; F214-A226 HydrophobicContact CD2-CB 4.3Å; F214-A226 HydrophobicContact CE1-CB 3.56Å; F214-A226 HydrophobicContact CE2-CB 4Å; F214-A226 HydrophobicContact CG-CB 4.23Å; F214-A226 HydrophobicContact CZ-CB 3.63Å; F214-A226 PolarHBondContact O-N 2.74Å
215	M	87.2	Confident	86.3	Confident	76 Å²	76	51.8 Å²	51.8	37%	0.374	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.2	170.9	59.8	169.8	-80.2	0	0	110.4	R191 Q217 M224	R191-M215 PolarHBondContact NH1-SD 2.83Å; M215-Q217 HydrophobicContact CE-CB 4.23Å; M215-M224 CarbonylContact C-O 3.42Å; M215-M224 VanDerWaalsContact CA-O 3.26Å; M215-M224 WeakPolarHBondContact CA-O 3.26Å
216	S	81.5	Confident	86.5	Confident	47 Å²	47	42.2 Å²	42.2	33%	0.329	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124	167.9	-173.9	0	0	0	0	108.6	S223 M224	S216-S223 WeakPolarHBondContact O-CA 3.35Å; S216-M224 PolarHBondContact N-O 2.88Å; S216-M224 PolarHBondContact O-N 3.22Å
217	Q	76.3	Confident	86.6	Confident	108 Å²	108	40.5 Å²	40.5	51%	0.505	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119.4	-178.6	-169.9	168.9	23.8	0	0	109.8	M215 S219 A220	M215-Q217 HydrophobicContact CE-CB 4.23Å; Q217-S219 WeakPolarHBondContact CG-O 3.18Å; Q217-S219 PolarHBondContact NE2-O 2.78Å; Q217-S219 VanDerWaalsContact NE2-O 3.13Å; Q217-A220 PolarHBondContact NE2-O 3.32Å
218	Y	72.1	Confident	86.6	Confident	126 Å²	126	38.9 Å²	38.9	49%	0.494	21%	0.209	S	C	.	.	S	Bend	trans	-90.6	-34.9	177	-62.1	-58.9	0	0	0	112.2	L222 M224	Y218-L222 HydrophobicContact CD2-CD2 4.39Å; Y218-L222 HydrophobicContact CD2-CG 4.33Å; Y218-L222 PolarHBondContact N-O 2.84Å; Y218-M224 HydrophobicContact CD2-CB 4.44Å; Y218-M224 HydrophobicContact CE2-CB 3.6Å
219	S	69.7	Low	86.5	Confident	61 Å²	61	40.1 Å²	40.1	43%	0.427	22%	0.215	S	C	.	.	S	Bend	trans	-151.3	177.1	175	73.2	0	0	0	0	110.7	Q217 D221 L222	Q217-S219 WeakPolarHBondContact CG-O 3.18Å; Q217-S219 PolarHBondContact NE2-O 2.78Å; Q217-S219 VanDerWaalsContact NE2-O 3.13Å; S219-D221 PolarHBondContact O-N 3.36Å; S219-D221 VanDerWaalsContact O-N 3.13Å; S219-L222 PolarHBondContact N-O 2.86Å; S219-L222 PolarHBondContact O-N 3.32Å; S219-L222 WeakPolarHBondContact OG-CB 3.36Å; S219-L222 PolarHBondContact OG-N 3.27Å
220	A	65.6	Low	86.5	Confident	85 Å²	85	38 Å²	38	70%	0.702	21%	0.206	S	C	*	.	S	Bend	trans	-51	-38.8	178.8	0	0	0	0	0	112.4	Q217	Q217-A220 PolarHBondContact NE2-O 3.32Å
221	D	67.3	Low	86.4	Confident	118 Å²	118	38.6 Å²	38.6	63%	0.631	21%	0.21	S	C	*	.	S	Bend	trans	-108.5	-3.6	-173.2	-59.1	-42.4	0	0	0	114	T189 S219	T189-D221 WeakPolarHBondContact CA-O 3.01Å; T189-D221 HydrophobicContact CG2-CB 4.24Å; T189-D221 WeakPolarHBondContact CG2-O 3.31Å; S219-D221 PolarHBondContact O-N 3.36Å; S219-D221 VanDerWaalsContact O-N 3.13Å
222	L	73.1	Confident	86.3	Confident	72 Å²	72	40.7 Å²	40.7	38%	0.377	22%	0.224	S	C	.	.			trans	-125.3	113.9	-176.3	-170.8	64.6	0	0	0	111.4	N187 Y218 S219	N187-L222 HydrophobicContact CB-CD1 4.26Å; Y218-L222 HydrophobicContact CD2-CD2 4.39Å; Y218-L222 HydrophobicContact CD2-CG 4.33Å; Y218-L222 PolarHBondContact N-O 2.84Å; S219-L222 PolarHBondContact N-O 2.86Å; S219-L222 PolarHBondContact O-N 3.32Å; S219-L222 WeakPolarHBondContact OG-CB 3.36Å; S219-L222 PolarHBondContact OG-N 3.27Å
223	S	82.3	Confident	86.2	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.7	171.5	-57.8	0	0	0	0	110.5	N187 G188 R191 S216	N187-S223 WeakPolarHBondContact CA-O 3.48Å; G188-S223 PolarHBondContact N-O 2.81Å; G188-S223 PolarHBondContact O-N 2.86Å; R191-S223 WeakPolarHBondContact CD-OG 3.26Å; S216-S223 WeakPolarHBondContact O-CA 3.35Å
224	M	90.1	Very high	86.2	Confident	9 Å²	9	41.8 Å²	41.8	4%	0.044	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.6	159.1	-174.3	-164.9	81.1	0	0	108.2	C185 S186 N187 F214 M215 S216 Y218 A226	C185-M224 HydrophobicContact CB-CG 4.2Å; C185-M224 HydrophobicContact CB-SD 4.46Å; S186-M224 WeakPolarHBondContact O-CA 3.43Å; N187-M224 WeakPolarHBondContact OD1-CA 3.36Å; N187-M224 WeakPolarHBondContact OD1-CB 3.41Å; N187-M224 WeakPolarHBondContact OD1-CG 3.39Å; F214-M224 HydrophobicContact CE2-CE 3.79Å; F214-M224 HydrophobicContact CZ-CE 4.23Å; M215-M224 CarbonylContact C-O 3.42Å; M215-M224 VanDerWaalsContact CA-O 3.26Å; M215-M224 WeakPolarHBondContact CA-O 3.26Å; S216-M224 PolarHBondContact N-O 2.88Å; S216-M224 PolarHBondContact O-N 3.22Å; Y218-M224 HydrophobicContact CD2-CB 4.44Å; Y218-M224 HydrophobicContact CE2-CB 3.6Å; M224-A226 HydrophobicContact CE-CB 4.23Å
225	V	92.3	Very high	86.5	Confident	3 Å²	3	46 Å²	46	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.8	170.7	-173.5	0	0	0	0	107.6	C185 S186 R191 P192 Y227	C185-V225 VanDerWaalsContact CA-O 3.3Å; C185-V225 WeakPolarHBondContact CA-O 3.4Å; S186-V225 PolarHBondContact N-O 3.11Å; S186-V225 PolarHBondContact O-N 3.04Å; R191-V225 HydrophobicContact CB-CG2 3.78Å; P192-V225 HydrophobicContact CG-CG1 3.84Å; V225-Y227 HydrophobicContact CB-CE2 4.1Å; V225-Y227 HydrophobicContact CG1-CE1 3.8Å; V225-Y227 HydrophobicContact CG1-CE2 3.9Å; V225-Y227 VanDerWaalsContact CG1-CZ 3.43Å; V225-Y227 WeakPolarHBondContact CG1-OH 3.08Å
226	A	94.3	Very high	87	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	139.8	176.5	0	0	0	0	0	111	L183 Y184 S213 F214 M224	L183-A226 HydrophobicContact CD1-CB 4.12Å; Y184-A226 WeakPolarHBondContact O-CA 3.47Å; S213-A226 PolarHBondContact N-O 3.48Å; F214-A226 HydrophobicContact CD1-CB 3.86Å; F214-A226 HydrophobicContact CD2-CB 4.3Å; F214-A226 HydrophobicContact CE1-CB 3.56Å; F214-A226 HydrophobicContact CE2-CB 4Å; F214-A226 HydrophobicContact CG-CB 4.23Å; F214-A226 HydrophobicContact CZ-CB 3.63Å; F214-A226 PolarHBondContact O-N 2.74Å; M224-A226 HydrophobicContact CE-CB 4.23Å
227	Y	96.2	Very high	87.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.8	176.1	-45	-95.3	0	0	0	109.5	V149 V170 L172 L183 Y184 S186 L201 V211 V212 V225 K229	V149-Y227 HydrophobicContact CG2-CE1 3.63Å; V170-Y227 HydrophobicContact CG1-CE2 4.34Å; L172-Y227 HydrophobicContact CD2-CD2 4.34Å; L172-Y227 HydrophobicContact CD2-CE2 4.25Å; L183-Y227 CarbonylContact C-O 3.48Å; L183-Y227 VanDerWaalsContact CA-O 3.25Å; L183-Y227 WeakPolarHBondContact CA-O 3.32Å; Y184-Y227 PolarHBondContact N-O 3.25Å; Y184-Y227 PolarHBondContact O-N 2.98Å; S186-Y227 WeakPolarHBondContact OG-CE2 3.45Å; S186-Y227 PolarHBondContact OG-OH 3.18Å; S186-Y227 VanDerWaalsContact OG-OH 3.06Å; L201-Y227 HydrophobicContact CB-CD1 3.95Å; L201-Y227 HydrophobicContact CB-CE1 4.46Å; L201-Y227 HydrophobicContact CB-CG 4.32Å; L201-Y227 HydrophobicContact CD1-CD1 4.4Å; L201-Y227 HydrophobicContact CD1-CE1 4.2Å; L201-Y227 HydrophobicContact CD2-CD1 4.35Å; L201-Y227 HydrophobicContact CD2-CD2 4.12Å; L201-Y227 HydrophobicContact CD2-CG 3.97Å; L201-Y227 HydrophobicContact CG-CD1 4.47Å; V211-Y227 CarbonylContact O-C 3.29Å; V211-Y227 WeakPolarHBondContact O-CA 3.4Å; V212-Y227 HydrophobicContact CB-CD1 4.39Å; V212-Y227 HydrophobicContact CG2-CD1 3.92Å; V212-Y227 HydrophobicContact CG2-CE1 3.91Å; V225-Y227 HydrophobicContact CB-CE2 4.1Å; V225-Y227 HydrophobicContact CG1-CE1 3.8Å; V225-Y227 HydrophobicContact CG1-CE2 3.9Å; V225-Y227 VanDerWaalsContact CG1-CZ 3.43Å; V225-Y227 WeakPolarHBondContact CG1-OH 3.08Å; Y227-K229 PolarHBondContact O-N 3.13Å
228	T	97	Very high	88.7	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	123.1	175.1	-53.4	0	0	0	0	109.6	D114 I115 G210 V211 I230 Y233	D114-T228 PolarHBondContact O-OG1 3.49Å; I115-T228 HydrophobicContact CB-CG2 4.08Å; I115-T228 HydrophobicContact CG2-CG2 4.46Å; G210-T228 CarbonylContact C-O 3.55Å; G210-T228 WeakPolarHBondContact CA-O 3.49Å; V211-T228 PolarHBondContact N-O 2.94Å; V211-T228 PolarHBondContact O-N 2.85Å; T228-I230 PolarHBondContact O-N 3.13Å; T228-I230 VanDerWaalsContact O-N 3.16Å; T228-Y233 HydrophobicContact CG2-CD2 4.02Å; T228-Y233 HydrophobicContact CG2-CE2 3.43Å; T228-Y233 VanDerWaalsContact CG2-CE2 3.43Å
229	K	95.9	Very high	89.9	Confident	26 Å²	26	37.2 Å²	37.2	11%	0.113	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	98.3	-173.1	-179.5	166.2	179.8	-174.3	0	111	D139 K182 Y184 Y227 P231 C232 Y233	D139-K229 VanDerWaalsContact CG-NZ 3.26Å; D139-K229 WeakPolarHBondContact OD1-CE 3.26Å; D139-K229 IonicContact OD1-NZ 2.77Å; D139-K229 PolarHBondContact OD1-NZ 2.98Å; D139-K229 IonicContact OD2-NZ 3.33Å; D139-K229 PolarHBondContact OD2-NZ 3.17Å; K182-K229 WeakPolarHBondContact O-CB 3.44Å; K182-K229 PolarHBondContact O-N 2.9Å; Y184-K229 HydrophobicContact CD1-CD 4.3Å; Y184-K229 HydrophobicContact CD2-CB 4.12Å; Y184-K229 HydrophobicContact CD2-CG 4.11Å; Y184-K229 HydrophobicContact CE1-CD 3.77Å; Y184-K229 HydrophobicContact CE1-CG 4.16Å; Y184-K229 HydrophobicContact CE2-CB 4.03Å; Y184-K229 HydrophobicContact CE2-CD 4.1Å; Y184-K229 HydrophobicContact CE2-CG 3.54Å; Y184-K229 VanDerWaalsContact OH-CE 3.25Å; Y184-K229 WeakPolarHBondContact OH-CE 3.47Å; Y227-K229 PolarHBondContact O-N 3.13Å; K229-P231 VanDerWaalsContact C-CD 3.45Å; K229-C232 WeakPolarHBondContact O-CB 3.39Å; K229-C232 PolarHBondContact O-N 2.9Å; K229-Y233 VanDerWaalsContact O-CD2 3.24Å; K229-Y233 WeakPolarHBondContact O-CD2 3.47Å
230	I	97.2	Very high	91.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-50.8	-44.2	-174.2	-68.1	171.7	0	0	0	113.5	F57 M65 L135 A208 Y209 V211 T228 C232 Y233 I237	F57-I230 HydrophobicContact CE2-CD1 4.27Å; F57-I230 HydrophobicContact CZ-CD1 3.8Å; M65-I230 HydrophobicContact SD-CD1 4.03Å; M65-I230 HydrophobicContact SD-CG1 4.15Å; L135-I230 HydrophobicContact CB-CG2 4.18Å; L135-I230 HydrophobicContact CD1-CG2 4.25Å; L135-I230 HydrophobicContact CD2-CD1 4.25Å; L135-I230 HydrophobicContact CD2-CG2 4.19Å; L135-I230 HydrophobicContact CG-CG2 4.45Å; A208-I230 HydrophobicContact CB-CD1 4Å; Y209-I230 WeakPolarHBondContact O-CB 3.24Å; Y209-I230 PolarHBondContact O-N 3.16Å; V211-I230 HydrophobicContact CG2-CD1 4.1Å; V211-I230 HydrophobicContact CG2-CG1 3.97Å; T228-I230 PolarHBondContact O-N 3.13Å; T228-I230 VanDerWaalsContact O-N 3.16Å; I230-C232 PolarHBondContact O-N 3.01Å; I230-Y233 PolarHBondContact O-N 2.99Å; I230-I237 HydrophobicContact CG2-CD1 4.04Å
231	P	95.8	Very high	92.8	Very high	12 Å²	12	32.2 Å²	32.2	8%	0.078	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-55.8	-28.1	-179.6	-29	35.5	0	0	0	115.1	A136 N138 D139 K229 Y233 S234	A136-P231 HydrophobicContact CB-CG 3.76Å; N138-P231 WeakPolarHBondContact O-CB 3.26Å; D139-P231 HydrophobicContact CB-CB 4.17Å; K229-P231 VanDerWaalsContact C-CD 3.45Å; P231-Y233 PolarHBondContact O-N 3.06Å; P231-S234 PolarHBondContact O-OG 3.39Å
232	C	95.1	Very high	94.3	Very high	44 Å²	44	34.1 Å²	34.1	30%	0.297	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-73.1	-6.7	177.8	-58.2	0	0	0	0	113.4	K182 K229 I230	K182-C232 HydrophobicContact CB-CB 4.09Å; K182-C232 HydrophobicContact CD-CB 4.07Å; K182-C232 HydrophobicContact CG-CB 4.21Å; K229-C232 WeakPolarHBondContact O-CB 3.39Å; K229-C232 PolarHBondContact O-N 2.9Å; I230-C232 PolarHBondContact O-N 3.01Å
233	Y	96.2	Very high	95.4	Very high	6 Å²	6	36.2 Å²	36.2	2%	0.024	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-121.6	6.9	-175.1	-60.1	-85.1	0	0	0	113.4	H103 D113 I115 K182 T228 K229 I230 P231 D235 W236 I237	H103-Y233 AromaticContact CD2-CD1 3.59Å; H103-Y233 AromaticContact CD2-CE1 3.83Å; H103-Y233 AromaticContact NE2-CD1 3.63Å; H103-Y233 AromaticContact NE2-CE1 3.73Å; D113-Y233 WeakPolarHBondContact CA-OH 3.05Å; D113-Y233 HydrophobicContact CB-CE1 3.99Å; D113-Y233 WeakPolarHBondContact OD1-CE1 3.47Å; D113-Y233 VanDerWaalsContact OD1-CZ 3.28Å; D113-Y233 PolarHBondContact OD1-OH 3.29Å; I115-Y233 HydrophobicContact CD1-CG 4.33Å; I115-Y233 HydrophobicContact CG2-CD1 3.95Å; I115-Y233 HydrophobicContact CG2-CE1 4.18Å; I115-Y233 HydrophobicContact CG2-CG 4.18Å; K182-Y233 HydrophobicContact CB-CE2 4.35Å; K182-Y233 HydrophobicContact CD-CE2 4.49Å; K182-Y233 WeakPolarHBondContact CD-OH 3.25Å; T228-Y233 HydrophobicContact CG2-CD2 4.02Å; T228-Y233 HydrophobicContact CG2-CE2 3.43Å; T228-Y233 VanDerWaalsContact CG2-CE2 3.43Å; K229-Y233 VanDerWaalsContact O-CD2 3.24Å; K229-Y233 WeakPolarHBondContact O-CD2 3.47Å; I230-Y233 PolarHBondContact O-N 2.99Å; P231-Y233 PolarHBondContact O-N 3.06Å; Y233-D235 VanDerWaalsContact C-N 3.3Å; Y233-D235 PolarHBondContact O-N 3.38Å; Y233-W236 WeakPolarHBondContact O-CB 3.04Å; Y233-W236 PolarHBondContact O-N 3.43Å; Y233-I237 WeakPolarHBondContact O-CD1 3.47Å; Y233-I237 VanDerWaalsContact O-CG1 3.26Å; Y233-I237 WeakPolarHBondContact O-CG1 3.4Å; Y233-I237 PolarHBondContact O-N 3.42Å
234	S	95.1	Very high	96	Very high	27 Å²	27	36.3 Å²	36.3	19%	0.189	19%	0.19	C	C	.	.	H	α-helix	trans	-51.9	-44	-175.8	-59.9	0	0	0	0	113.8	P231 I237 T238	P231-S234 PolarHBondContact O-OG 3.39Å; S234-I237 PolarHBondContact O-N 2.55Å; S234-T238 WeakPolarHBondContact O-CB 3Å; S234-T238 PolarHBondContact O-N 3.07Å; S234-T238 PolarHBondContact O-OG1 3.24Å
235	D	95.6	Very high	96.1	Very high	143 Å²	143	39.3 Å²	39.3	77%	0.765	21%	0.206	S	C	*	.	H	α-helix	trans	-66	-43.3	177.7	-73	-16.3	0	0	0	112.1	Y233 S239	Y233-D235 VanDerWaalsContact C-N 3.3Å; Y233-D235 PolarHBondContact O-N 3.38Å; D235-S239 WeakPolarHBondContact O-CB 3.47Å; D235-S239 PolarHBondContact O-N 2.58Å
236	W	97.4	Very high	95.8	Very high	30 Å²	30	43.4 Å²	43.4	11%	0.114	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-45.6	177.6	174.4	86.6	0	0	0	111.3	F101 H103 E104 I115 L117 Y233 S239 T240	F101-W236 WeakPolarHBondContact O-CH2 3.41Å; F101-W236 WeakPolarHBondContact O-CZ2 3.1Å; H103-W236 HydrophobicContact CB-CH2 4.35Å; H103-W236 HydrophobicContact CB-CZ2 3.95Å; H103-W236 AromaticContact CD2-CD1 3.56Å; H103-W236 AromaticContact CD2-CD2 3.44Å; H103-W236 VanDerWaalsContact CD2-CD2 3.44Å; H103-W236 AromaticContact CD2-CE2 3.54Å; H103-W236 AromaticContact CD2-CG 3.51Å; H103-W236 AromaticContact CD2-NE1 3.56Å; H103-W236 AromaticContact NE2-CD1 3.74Å; H103-W236 AromaticContact NE2-CG 3.81Å; E104-W236 PolarHBondContact OE2-NE1 2Å; I115-W236 HydrophobicContact CD1-CZ3 4.17Å; I115-W236 HydrophobicContact CG1-CZ3 4.04Å; I115-W236 HydrophobicContact CG2-CE3 4.32Å; I115-W236 HydrophobicContact CG2-CH2 4.38Å; I115-W236 HydrophobicContact CG2-CZ3 3.95Å; L117-W236 HydrophobicContact CD1-CH2 4.25Å; L117-W236 HydrophobicContact CD1-CZ3 4.12Å; L117-W236 HydrophobicContact CG-CH2 3.96Å; L117-W236 HydrophobicContact CG-CZ3 3.95Å; Y233-W236 WeakPolarHBondContact O-CB 3.04Å; Y233-W236 PolarHBondContact O-N 3.43Å; W236-S239 PolarHBondContact O-N 3.09Å; W236-T240 WeakPolarHBondContact O-CB 3.3Å; W236-T240 PolarHBondContact O-N 2.94Å; W236-T240 PolarHBondContact O-OG1 2.84Å
237	I	98	Very high	94.5	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-57.3	-54.3	178	-66.2	159.5	0	0	0	109.4	L59 M65 I115 L117 L135 I230 Y233 S234 S239 T240 M241	L59-I237 HydrophobicContact CD1-CG2 4.4Å; M65-I237 HydrophobicContact CE-CD1 3.62Å; M65-I237 HydrophobicContact CE-CG1 3.95Å; M65-I237 HydrophobicContact CE-CG2 4.38Å; I115-I237 HydrophobicContact CD1-CD1 4.21Å; I115-I237 HydrophobicContact CD1-CG1 4.36Å; L117-I237 HydrophobicContact CD1-CG2 4.36Å; L135-I237 HydrophobicContact CD1-CD1 4.04Å; L135-I237 HydrophobicContact CD1-CG2 4.09Å; I230-I237 HydrophobicContact CG2-CD1 4.04Å; Y233-I237 WeakPolarHBondContact O-CD1 3.47Å; Y233-I237 VanDerWaalsContact O-CG1 3.26Å; Y233-I237 WeakPolarHBondContact O-CG1 3.4Å; Y233-I237 PolarHBondContact O-N 3.42Å; S234-I237 PolarHBondContact O-N 2.55Å; I237-S239 PolarHBondContact O-N 3.13Å; I237-T240 PolarHBondContact O-N 3.29Å; I237-M241 HydrophobicContact CG2-SD 3.71Å; I237-M241 VanDerWaalsContact O-CG 3.31Å; I237-M241 WeakPolarHBondContact O-CG 3.32Å; I237-M241 PolarHBondContact O-N 3.23Å
238	T	96.9	Very high	92.4	Very high	92 Å²	92	59.3 Å²	59.3	56%	0.564	31%	0.312	S	S	*	.	H	α-helix	trans	-62.3	-46.3	-177	-56.8	0	0	0	0	111.9	S234 T240 K242	S234-T238 WeakPolarHBondContact O-CB 3Å; S234-T238 PolarHBondContact O-N 3.07Å; S234-T238 PolarHBondContact O-OG1 3.24Å; T238-T240 PolarHBondContact O-N 3.07Å; T238-K242 WeakPolarHBondContact O-CB 3.04Å; T238-K242 PolarHBondContact O-N 3.02Å
239	S	97.5	Very high	92.2	Very high	47 Å²	47	62.3 Å²	62.3	33%	0.329	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-42.6	179.2	-173.7	0	0	0	0	111.8	D235 W236 I237 K243	D235-S239 WeakPolarHBondContact O-CB 3.47Å; D235-S239 PolarHBondContact O-N 2.58Å; W236-S239 PolarHBondContact O-N 3.09Å; I237-S239 PolarHBondContact O-N 3.13Å; S239-K243 WeakPolarHBondContact O-CB 3.18Å; S239-K243 VanDerWaalsContact O-CG 3.23Å; S239-K243 WeakPolarHBondContact O-CG 3.34Å; S239-K243 PolarHBondContact O-N 2.9Å; S239-K243 WeakPolarHBondContact OG-CE 3.19Å; S239-K243 PolarHBondContact OG-NZ 3.43Å
240	T	98.2	Very high	92	Very high	10 Å²	10	64.2 Å²	64.2	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-66.5	-48.4	-179.8	-62.2	0	0	0	0	111.4	F101 L117 W236 I237 T238 K242 K243 A244	F101-T240 HydrophobicContact CB-CG2 3.61Å; F101-T240 HydrophobicContact CD1-CG2 3.82Å; F101-T240 HydrophobicContact CD2-CG2 4.41Å; F101-T240 HydrophobicContact CG-CG2 3.71Å; L117-T240 HydrophobicContact CD1-CG2 3.82Å; W236-T240 WeakPolarHBondContact O-CB 3.3Å; W236-T240 PolarHBondContact O-N 2.94Å; W236-T240 PolarHBondContact O-OG1 2.84Å; I237-T240 PolarHBondContact O-N 3.29Å; T238-T240 PolarHBondContact O-N 3.07Å; T240-K242 VanDerWaalsContact C-N 3.34Å; T240-K242 PolarHBondContact O-N 3.04Å; T240-K243 PolarHBondContact O-N 3.11Å; T240-A244 VanDerWaalsContact O-CB 3.23Å; T240-A244 WeakPolarHBondContact O-CB 3.05Å; T240-A244 PolarHBondContact O-N 3.29Å
241	M	97.8	Very high	91.7	Very high	31 Å²	31	67.7 Å²	67.7	15%	0.153	36%	0.357	C	S	.	.	H	α-helix	trans	-59.3	-45.3	176.9	-69.1	172.2	65.6	0	0	111.3	L59 N60 F63 L117 I237 A244 L245	L59-M241 HydrophobicContact CD1-SD 4.12Å; N60-M241 WeakPolarHBondContact ND2-CE 3.5Å; F63-M241 HydrophobicContact CB-CE 4.19Å; F63-M241 HydrophobicContact CD1-CG 4.08Å; F63-M241 HydrophobicContact CD2-CB 4.37Å; F63-M241 HydrophobicContact CD2-CE 3.69Å; F63-M241 HydrophobicContact CD2-CG 4.02Å; F63-M241 HydrophobicContact CE1-CG 4.2Å; F63-M241 HydrophobicContact CE2-CB 4.07Å; F63-M241 HydrophobicContact CE2-CE 4.37Å; F63-M241 HydrophobicContact CE2-CG 4.15Å; F63-M241 HydrophobicContact CG-CE 4.08Å; F63-M241 HydrophobicContact CG-CG 3.99Å; F63-M241 HydrophobicContact CZ-CB 4.19Å; F63-M241 HydrophobicContact CZ-CG 4.25Å; L117-M241 HydrophobicContact CD1-CG 3.78Å; I237-M241 HydrophobicContact CG2-SD 3.71Å; I237-M241 VanDerWaalsContact O-CG 3.31Å; I237-M241 WeakPolarHBondContact O-CG 3.32Å; I237-M241 PolarHBondContact O-N 3.23Å; M241-A244 PolarHBondContact O-N 3.31Å; M241-L245 WeakPolarHBondContact O-CG 3.18Å; M241-L245 PolarHBondContact O-N 3.2Å; M241-L245 VanDerWaalsContact O-N 3.08Å
242	K	97.4	Very high	91.5	Very high	158 Å²	158	71 Å²	71	69%	0.687	37%	0.374	S	S	*	.	H	α-helix	trans	-60.1	-49	177.6	-175.2	178.3	-179.2	178.6	0	112.3	T238 T240 A244 L245 S246	T238-K242 WeakPolarHBondContact O-CB 3.04Å; T238-K242 PolarHBondContact O-N 3.02Å; T240-K242 VanDerWaalsContact C-N 3.34Å; T240-K242 PolarHBondContact O-N 3.04Å; K242-A244 VanDerWaalsContact C-N 3.28Å; K242-A244 PolarHBondContact O-N 2.94Å; K242-L245 PolarHBondContact O-N 3.35Å; K242-S246 PolarHBondContact O-N 3.11Å; K242-S246 VanDerWaalsContact O-N 3.08Å
243	K	96.2	Very high	91.2	Very high	117 Å²	117	72.7 Å²	72.7	51%	0.509	38%	0.379	S	S	.	.	H	α-helix	trans	-63.2	-34.5	178.4	-73.8	169.3	-176.7	169	0	112.5	S239 T240 S246 K247	S239-K243 WeakPolarHBondContact O-CB 3.18Å; S239-K243 VanDerWaalsContact O-CG 3.23Å; S239-K243 WeakPolarHBondContact O-CG 3.34Å; S239-K243 PolarHBondContact O-N 2.9Å; S239-K243 WeakPolarHBondContact OG-CE 3.19Å; S239-K243 PolarHBondContact OG-NZ 3.43Å; T240-K243 PolarHBondContact O-N 3.11Å; K243-S246 PolarHBondContact O-OG 3.04Å; K243-K247 WeakPolarHBondContact O-CG 3.42Å
244	A	95.6	Very high	90.9	Very high	3 Å²	3	77.1 Å²	77.1	3%	0.025	40%	0.402	C	S	.	.	H	α-helix	trans	-73.7	-29.4	-179.5	0	0	0	0	0	112.5	F63 F101 K119 T240 M241 K242	F63-A244 HydrophobicContact CE1-CB 3.95Å; F63-A244 HydrophobicContact CZ-CB 3.7Å; F101-A244 HydrophobicContact CE1-CB 4.07Å; F101-A244 HydrophobicContact CE2-CB 3.82Å; F101-A244 HydrophobicContact CZ-CB 3.42Å; F101-A244 VanDerWaalsContact CZ-CB 3.42Å; K119-A244 HydrophobicContact CD-CB 4.29Å; K119-A244 PolarHBondContact NZ-O 3.24Å; T240-A244 VanDerWaalsContact O-CB 3.23Å; T240-A244 WeakPolarHBondContact O-CB 3.05Å; T240-A244 PolarHBondContact O-N 3.29Å; M241-A244 PolarHBondContact O-N 3.31Å; K242-A244 VanDerWaalsContact C-N 3.28Å; K242-A244 PolarHBondContact O-N 2.94Å
245	L	93.1	Very high	90.6	Very high	73 Å²	73	80.7 Å²	80.7	38%	0.382	42%	0.417	S	S	.	.	H	α-helix	trans	-81.2	-30	174	-68.1	172.4	0	0	0	113.1	D62 F63 M241 K242 K247	D62-L245 HydrophobicContact CB-CD2 4.39Å; F63-L245 HydrophobicContact CE2-CD1 4.17Å; F63-L245 HydrophobicContact CE2-CD2 4.01Å; F63-L245 HydrophobicContact CE2-CG 3.9Å; F63-L245 HydrophobicContact CZ-CD2 4.46Å; F63-L245 HydrophobicContact CZ-CG 4.25Å; M241-L245 WeakPolarHBondContact O-CG 3.18Å; M241-L245 PolarHBondContact O-N 3.2Å; M241-L245 VanDerWaalsContact O-N 3.08Å; K242-L245 PolarHBondContact O-N 3.35Å; L245-K247 VanDerWaalsContact C-N 3.27Å; L245-K247 PolarHBondContact O-N 3.46Å
246	S	85.9	Confident	90.2	Very high	89 Å²	89	75.9 Å²	75.9	62%	0.622	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-4	-178.8	73.5	0	0	0	0	115	K242 K243	K242-S246 PolarHBondContact O-N 3.11Å; K242-S246 VanDerWaalsContact O-N 3.08Å; K243-S246 PolarHBondContact O-OG 3.04Å
247	K	66.4	Low	89.6	Confident	167 Å²	167	79.8 Å²	79.8	73%	0.726	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	10.8	-177	-74.9	-174.9	177.1	-170.6	0	113.4	K243 L245	K243-K247 WeakPolarHBondContact O-CG 3.42Å; L245-K247 VanDerWaalsContact C-N 3.27Å; L245-K247 PolarHBondContact O-N 3.46Å
248	N	52.3	Low	88.8	Confident	166 Å²	166	86.6 Å²	86.6	89%	0.888	45%	0.45	S	S	*	.			trans	-101.4	0	172.4	-76.6	9.6	0	0	0	110.6	K119	K119-N248 VanDerWaalsContact NZ-CG 3.27Å; K119-N248 PolarHBondContact NZ-ND2 2.77Å; K119-N248 PolarHBondContact NZ-OD1 3.19Å

Retrieved 248 of 248 residues in 99.4 ms (Link to these results)

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