A0A077YZ37_TRITR Loading...

Sodium:potassium transporting atpase subunit

AlphaFold DB , UniProt , Accession A0A077YZ37, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 300 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	44.9	Very low	45.1	Very low	257 Å²	257	142 Å²	142	100%	1.266	86%	0.864	S	S	*	*				0	124.2	0	-70.7	151.4	121.4	0	0	106.5
2	G	42.3	Very low	45.3	Very low	79 Å²	79	145.1 Å²	145.1	81%	0.814	86%	0.861	S	S	*	*			cis	-177.7	148.1	0.3	0	0	0	0	0	102.1
3	S	43.8	Very low	45	Very low	127 Å²	127	148.9 Å²	148.9	89%	0.888	86%	0.86	S	S	*	*			cis	-167.2	151.1	46	-165.3	0	0	0	0	109.2
4	K	45.6	Very low	44.9	Very low	206 Å²	206	144.9 Å²	144.9	90%	0.896	85%	0.853	S	S	*	*			trans	-67.4	162.9	170.9	-65.3	166.3	168.7	176.7	0	110.9
5	G	44.4	Very low	44.9	Very low	81 Å²	81	147.3 Å²	147.3	84%	0.835	85%	0.849	S	S	*	*			trans	173.5	81	161.1	0	0	0	0	0	114.4
6	L	44.6	Very low	45.1	Very low	158 Å²	158	148.8 Å²	148.8	83%	0.827	85%	0.846	S	S	*	*			trans	-74.7	141.8	171.1	-134.8	93.8	0	0	0	110.7
7	A	48.6	Very low	45.7	Very low	102 Å²	102	146.4 Å²	146.4	84%	0.843	84%	0.841	S	S	*	*			trans	-155	114.7	150.4	0	0	0	0	0	110.4
8	N	41.7	Very low	46.2	Very low	146 Å²	146	147.3 Å²	147.3	78%	0.781	84%	0.836	S	S	*	*			trans	-98.1	140.9	172.5	-75.8	-35.7	0	0	0	109.5
9	S	49.1	Very low	46.7	Very low	119 Å²	119	147.4 Å²	147.4	83%	0.832	83%	0.826	S	S	*	*			trans	-160.1	120.7	151.6	56.8	0	0	0	0	111.3
10	H	44.6	Very low	47.9	Very low	186 Å²	186	141.9 Å²	141.9	86%	0.861	80%	0.804	S	S	*	*			trans	-67.9	158.8	173.6	-111.2	-72.1	0	0	0	112.1
11	P	46.1	Very low	49.2	Very low	101 Å²	101	143.5 Å²	143.5	66%	0.656	80%	0.802	S	S	*	*				-151.4	168.2	108.2	36.3	-17.3	0	0	0	117
12	E	48.3	Very low	50.7	Low	179 Å²	179	137 Å²	137	84%	0.836	77%	0.772	S	S	*	*			trans	75.7	114.4	146.4	-107.1	170.6	114.7	0	0	123.3
13	K	40.9	Very low	52	Low	195 Å²	195	141.5 Å²	141.5	85%	0.848	77%	0.765	S	S	*	*			trans	-92.2	116	158.7	-77.2	-174.1	175.9	-179.6	0	109.8
14	A	43.3	Very low	53.2	Low	92 Å²	92	138.9 Å²	138.9	76%	0.76	75%	0.746	S	S	*	*			trans	-174.5	92.7	152.5	0	0	0	0	0	113.2
15	K	45	Very low	54.3	Low	181 Å²	181	135.4 Å²	135.4	79%	0.787	73%	0.731	S	S	*	*			trans	-177.4	42.2	148.3	-125.8	178	-179.1	179	0	113.3
16	Q	49.1	Very low	55.5	Low	172 Å²	172	136.3 Å²	136.3	80%	0.804	72%	0.717	S	S	*	*			trans	-94.5	-1.3	-160.5	-152.1	150.7	-7.9	0	0	116.5
17	S	54.7	Low	56.5	Low	108 Å²	108	135.3 Å²	135.3	76%	0.755	71%	0.708	S	S	*	*	S	Bend	trans	-97.4	-31.1	-174	-168.2	0	0	0	0	116.4	G20	S17-G20 PolarHBondContact O-N 2.91Å
18	E	54.7	Low	57.4	Low	163 Å²	163	136.7 Å²	136.7	76%	0.762	70%	0.695	S	S	*	*	H	α-helix	trans	-83.2	-31.2	-175.5	-149.7	179.9	156.1	0	0	112.3	G20 K21	E18-G20 PolarHBondContact O-N 3.46Å; E18-G20 VanDerWaalsContact O-N 3.09Å; E18-K21 PolarHBondContact O-N 2.75Å
19	K	55.2	Low	58.5	Low	148 Å²	148	131.8 Å²	131.8	64%	0.643	67%	0.668	S	S	*	*	H	α-helix	trans	-59.9	-18.8	170.3	-72	-177.1	174.9	-179.8	0	112.6	R23	K19-R23 WeakPolarHBondContact O-CB 3.27Å; K19-R23 VanDerWaalsContact O-CG 3.27Å; K19-R23 WeakPolarHBondContact O-CG 3.48Å; K19-R23 PolarHBondContact O-N 2.94Å; K19-R23 VanDerWaalsContact O-N 3.09Å
20	G	71.1	Confident	59.2	Low	38 Å²	38	132 Å²	132	39%	0.392	65%	0.652	S	S	.	*	H	α-helix	trans	-71.9	-42.4	177.4	0	0	0	0	0	113.8	S17 E18 S24	S17-G20 PolarHBondContact O-N 2.91Å; E18-G20 PolarHBondContact O-N 3.46Å; E18-G20 VanDerWaalsContact O-N 3.09Å; G20-S24 WeakPolarHBondContact O-CB 3.47Å; G20-S24 PolarHBondContact O-N 2.98Å
21	K	75.7	Confident	60.1	Low	175 Å²	175	126.2 Å²	126.2	76%	0.761	63%	0.627	S	S	*	*	H	α-helix	trans	-69.3	-43.7	179.4	-75.1	-173.6	180	-178.9	0	111.7	E18 S24 F25	E18-K21 PolarHBondContact O-N 2.75Å; K21-S24 PolarHBondContact O-N 3.41Å; K21-F25 VanDerWaalsContact O-CB 3.28Å; K21-F25 WeakPolarHBondContact O-CB 3.35Å; K21-F25 PolarHBondContact O-N 2.63Å
22	L	75.8	Confident	60.8	Low	122 Å²	122	125.6 Å²	125.6	64%	0.639	62%	0.623	S	S	*	*	H	α-helix	trans	-69.5	-39.9	-180	-130.5	147	0	0	0	111.3	F25 L26	L22-F25 PolarHBondContact O-N 3.33Å; L22-L26 HydrophobicContact CD2-CD1 3.92Å; L22-L26 HydrophobicContact CD2-CG 4.46Å; L22-L26 WeakPolarHBondContact O-CB 3.3Å; L22-L26 WeakPolarHBondContact O-CD1 3.49Å; L22-L26 WeakPolarHBondContact O-CG 3.4Å; L22-L26 PolarHBondContact O-N 3.46Å
23	R	70.7	Confident	61.4	Low	173 Å²	173	128.1 Å²	128.1	65%	0.653	63%	0.625	S	S	*	*	H	α-helix	trans	-65.4	-41.8	170.4	-81.2	-176.2	171.7	-171.1	-3.5	112.7	K19 F25 L26 E27	K19-R23 WeakPolarHBondContact O-CB 3.27Å; K19-R23 VanDerWaalsContact O-CG 3.27Å; K19-R23 WeakPolarHBondContact O-CG 3.48Å; K19-R23 PolarHBondContact O-N 2.94Å; K19-R23 VanDerWaalsContact O-N 3.09Å; R23-F25 VanDerWaalsContact C-N 3.31Å; R23-F25 PolarHBondContact O-N 2.93Å; R23-L26 CarbonylContact O-C 3.55Å; R23-L26 PolarHBondContact O-N 2.96Å; R23-E27 WeakPolarHBondContact O-CB 3.15Å; R23-E27 WeakPolarHBondContact O-CG 3.45Å; R23-E27 PolarHBondContact O-N 3.36Å
24	S	67	Low	62.3	Low	71 Å²	71	124.7 Å²	124.7	50%	0.497	61%	0.612	S	S	.	*	H	α-helix	trans	-63	-39.1	175.5	172	0	0	0	0	111.5	G20 K21 E27 F28	G20-S24 WeakPolarHBondContact O-CB 3.47Å; G20-S24 PolarHBondContact O-N 2.98Å; K21-S24 PolarHBondContact O-N 3.41Å; S24-E27 PolarHBondContact O-N 2.61Å; S24-F28 VanDerWaalsContact O-CB 3.23Å; S24-F28 WeakPolarHBondContact O-CB 3.38Å; S24-F28 PolarHBondContact O-N 2.83Å
25	F	70.3	Confident	62.9	Low	134 Å²	134	128.7 Å²	128.7	59%	0.588	61%	0.612	S	S	*	*	H	α-helix	trans	-68.5	-37.9	174.7	-156.4	-100	0	0	0	111.7	K21 L22 R23 F28 L29	K21-F25 VanDerWaalsContact O-CB 3.28Å; K21-F25 WeakPolarHBondContact O-CB 3.35Å; K21-F25 PolarHBondContact O-N 2.63Å; L22-F25 PolarHBondContact O-N 3.33Å; R23-F25 VanDerWaalsContact C-N 3.31Å; R23-F25 PolarHBondContact O-N 2.93Å; F25-F28 WeakPolarHBondContact O-CB 3.17Å; F25-F28 PolarHBondContact O-N 3.32Å; F25-L29 HydrophobicContact CD1-CD1 3.66Å; F25-L29 HydrophobicContact CD1-CG 4.3Å; F25-L29 HydrophobicContact CE1-CD1 3.71Å; F25-L29 HydrophobicContact CE1-CG 4.32Å; F25-L29 WeakPolarHBondContact O-CB 3.41Å; F25-L29 VanDerWaalsContact O-CG 3.26Å; F25-L29 WeakPolarHBondContact O-CG 3.32Å; F25-L29 PolarHBondContact O-N 3.47Å
26	L	68.2	Low	63.5	Low	100 Å²	100	126.2 Å²	126.2	52%	0.524	60%	0.601	S	S	.	*	H	α-helix	trans	-68.7	-39.5	173.6	-75.7	162	0	0	0	112.5	L22 R23 F28 L29 Y30	L22-L26 HydrophobicContact CD2-CD1 3.92Å; L22-L26 HydrophobicContact CD2-CG 4.46Å; L22-L26 WeakPolarHBondContact O-CB 3.3Å; L22-L26 WeakPolarHBondContact O-CD1 3.49Å; L22-L26 WeakPolarHBondContact O-CG 3.4Å; L22-L26 PolarHBondContact O-N 3.46Å; R23-L26 CarbonylContact O-C 3.55Å; R23-L26 PolarHBondContact O-N 2.96Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-L29 PolarHBondContact O-N 2.76Å; L26-Y30 WeakPolarHBondContact O-CB 3.18Å; L26-Y30 PolarHBondContact O-N 3.18Å
27	E	66.6	Low	64	Low	137 Å²	137	120 Å²	120	64%	0.64	58%	0.576	S	S	*	*	H	α-helix	trans	-67.7	-33.2	172.7	-78.4	176.8	177.1	0	0	111.6	R23 S24 Y30	R23-E27 WeakPolarHBondContact O-CB 3.15Å; R23-E27 WeakPolarHBondContact O-CG 3.45Å; R23-E27 PolarHBondContact O-N 3.36Å; S24-E27 PolarHBondContact O-N 2.61Å; E27-Y30 CarbonylContact O-C 3.3Å
28	F	66.8	Low	64.6	Low	130 Å²	130	119.6 Å²	119.6	57%	0.57	56%	0.56	S	S	*	*	H	α-helix	trans	-67.1	-41.2	171.3	178.9	-97.5	0	0	0	111.5	S24 F25 L26 Y30 F38	S24-F28 VanDerWaalsContact O-CB 3.23Å; S24-F28 WeakPolarHBondContact O-CB 3.38Å; S24-F28 PolarHBondContact O-N 2.83Å; F25-F28 WeakPolarHBondContact O-CB 3.17Å; F25-F28 PolarHBondContact O-N 3.32Å; L26-F28 VanDerWaalsContact C-N 3.33Å; F28-Y30 VanDerWaalsContact C-N 3.35Å; F28-F38 WeakPolarHBondContact O-CD2 3.46Å
29	L	64.5	Low	65.6	Low	43 Å²	43	114 Å²	114	23%	0.225	54%	0.542	C	S	.	.	H	α-helix	trans	-75.4	-20.7	178.2	-74.7	170.8	0	0	0	113.9	F25 L26 F38 A39	F25-L29 HydrophobicContact CD1-CD1 3.66Å; F25-L29 HydrophobicContact CD1-CG 4.3Å; F25-L29 HydrophobicContact CE1-CD1 3.71Å; F25-L29 HydrophobicContact CE1-CG 4.32Å; F25-L29 WeakPolarHBondContact O-CB 3.41Å; F25-L29 VanDerWaalsContact O-CG 3.26Å; F25-L29 WeakPolarHBondContact O-CG 3.32Å; F25-L29 PolarHBondContact O-N 3.47Å; L26-L29 PolarHBondContact O-N 2.76Å; L29-F38 HydrophobicContact CD2-CB 4.37Å; L29-F38 WeakPolarHBondContact O-CB 3.46Å; L29-F38 PolarHBondContact O-N 2.73Å; L29-A39 PolarHBondContact O-N 3.1Å
30	Y	65.6	Low	66.7	Low	123 Å²	123	113.4 Å²	113.4	48%	0.482	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	100.4	-177.8	-175.7	-100.9	0	0	0	109.8	L26 E27 F28 P32 V37	L26-Y30 WeakPolarHBondContact O-CB 3.18Å; L26-Y30 PolarHBondContact O-N 3.18Å; E27-Y30 CarbonylContact O-C 3.3Å; F28-Y30 VanDerWaalsContact C-N 3.35Å; Y30-P32 HydrophobicContact CD1-CB 4.42Å; Y30-P32 HydrophobicContact CE1-CB 3.99Å; Y30-P32 WeakPolarHBondContact O-CD 3.43Å; Y30-V37 HydrophobicContact CD2-CG2 4.16Å; Y30-V37 HydrophobicContact CE2-CG2 4.15Å
31	N	62	Low	67.4	Low	65 Å²	65	115.6 Å²	115.6	35%	0.348	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	105.9	171.2	-172.1	-9	0	0	0	109.3	R33 E34 K35	N31-R33 PolarHBondContact O-N 2.66Å; N31-R33 VanDerWaalsContact O-N 3.11Å; N31-R33 PolarHBondContact OD1-N 3.47Å; N31-E34 PolarHBondContact O-N 3.49Å; N31-K35 PolarHBondContact O-N 3.34Å
32	P	62.2	Low	67.8	Low	89 Å²	89	110.3 Å²	110.3	58%	0.578	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-17.4	-176	26.2	-34.7	0	0	0	113.3	Y30	Y30-P32 HydrophobicContact CD1-CB 4.42Å; Y30-P32 HydrophobicContact CE1-CB 3.99Å; Y30-P32 WeakPolarHBondContact O-CD 3.43Å
33	R	60.5	Low	68.4	Low	232 Å²	232	109.7 Å²	109.7	88%	0.875	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-30.7	-177.3	-69.2	-174.9	-177.5	171.2	2.2	113.9	N31	N31-R33 PolarHBondContact O-N 2.66Å; N31-R33 VanDerWaalsContact O-N 3.11Å; N31-R33 PolarHBondContact OD1-N 3.47Å
34	E	60.3	Low	69.5	Low	122 Å²	122	107.4 Å²	107.4	57%	0.57	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-3.3	-179.2	-73.8	-162.8	-166.1	0	0	113.8	N31 K36	N31-E34 PolarHBondContact O-N 3.49Å; E34-K36 HydrophobicContact CB-CB 4.3Å; E34-K36 HydrophobicContact CB-CD 4.48Å; E34-K36 HydrophobicContact CB-CG 4.37Å; E34-K36 PolarHBondContact O-N 2.96Å; E34-K36 IonicContact OE2-NZ 3.88Å; E34-K36 PolarHBondContact OE2-NZ 3.1Å
35	K	55.3	Low	70.7	Confident	177 Å²	177	109.3 Å²	109.3	77%	0.77	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	21.3	-169.6	-62.9	-172.8	178.7	-178.2	0	113.4	N31	N31-K35 PolarHBondContact O-N 3.34Å
36	K	56.9	Low	71.9	Confident	128 Å²	128	107.9 Å²	107.9	56%	0.557	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	115.2	176.8	-77.2	-179.7	-173.8	162.8	0	108.5	E34 F38	E34-K36 HydrophobicContact CB-CB 4.3Å; E34-K36 HydrophobicContact CB-CD 4.48Å; E34-K36 HydrophobicContact CB-CG 4.37Å; E34-K36 PolarHBondContact O-N 2.96Å; E34-K36 IonicContact OE2-NZ 3.88Å; E34-K36 PolarHBondContact OE2-NZ 3.1Å; K36-F38 PolarHBondContact O-N 3.17Å
37	V	59.4	Low	73.3	Confident	43 Å²	43	106.7 Å²	106.7	26%	0.261	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	106.2	-177.4	-173.5	0	0	0	0	107.3	Y30 A39 E40 I41	Y30-V37 HydrophobicContact CD2-CG2 4.16Å; Y30-V37 HydrophobicContact CE2-CG2 4.15Å; V37-A39 HydrophobicContact CG1-CB 3.68Å; V37-A39 PolarHBondContact O-N 2.98Å; V37-E40 HydrophobicContact CB-CB 3.78Å; V37-E40 HydrophobicContact CG1-CB 4Å; V37-E40 PolarHBondContact O-N 3.48Å; V37-E40 VanDerWaalsContact O-N 3.07Å; V37-I41 PolarHBondContact O-N 3.13Å
38	F	68.3	Low	74.7	Confident	98 Å²	98	104.5 Å²	104.5	43%	0.43	50%	0.497	S	S	.	.	H	α-helix	trans	-57.3	-33.9	171.2	-95.3	-92.7	0	0	0	110.1	F28 L29 K36 E40 I41 T42	F28-F38 WeakPolarHBondContact O-CD2 3.46Å; L29-F38 HydrophobicContact CD2-CB 4.37Å; L29-F38 WeakPolarHBondContact O-CB 3.46Å; L29-F38 PolarHBondContact O-N 2.73Å; K36-F38 PolarHBondContact O-N 3.17Å; F38-E40 VanDerWaalsContact C-N 3.33Å; F38-E40 PolarHBondContact O-N 3.04Å; F38-I41 PolarHBondContact O-N 2.86Å; F38-T42 WeakPolarHBondContact O-CB 3.33Å; F38-T42 PolarHBondContact O-N 3.14Å; F38-T42 PolarHBondContact O-OG1 3.4Å
39	A	74.3	Confident	76.1	Confident	47 Å²	47	104.9 Å²	104.9	39%	0.388	50%	0.496	S	S	.	.	H	α-helix	trans	-61	-34.8	175.2	0	0	0	0	0	113.9	L29 V37 L43	L29-A39 PolarHBondContact O-N 3.1Å; V37-A39 HydrophobicContact CG1-CB 3.68Å; V37-A39 PolarHBondContact O-N 2.98Å; A39-L43 VanDerWaalsContact O-CB 3.3Å; A39-L43 WeakPolarHBondContact O-CB 3.4Å; A39-L43 PolarHBondContact O-N 2.85Å
40	E	79.8	Confident	77.7	Confident	135 Å²	135	106.2 Å²	106.2	63%	0.631	51%	0.509	S	S	*	.	H	α-helix	trans	-71.2	-42.6	177.9	-174.4	177.8	-179.8	0	0	110.5	V37 F38 L43 F44	V37-E40 HydrophobicContact CB-CB 3.78Å; V37-E40 HydrophobicContact CG1-CB 4Å; V37-E40 PolarHBondContact O-N 3.48Å; V37-E40 VanDerWaalsContact O-N 3.07Å; F38-E40 VanDerWaalsContact C-N 3.33Å; F38-E40 PolarHBondContact O-N 3.04Å; E40-L43 PolarHBondContact O-N 3.48Å; E40-F44 WeakPolarHBondContact O-CB 3.4Å; E40-F44 PolarHBondContact O-N 2.9Å
41	I	85.4	Confident	79.2	Confident	83 Å²	83	104.3 Å²	104.3	43%	0.426	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-46.5	173.4	-61.2	172.3	0	0	0	110	V37 F38 F44 Y45	V37-I41 PolarHBondContact O-N 3.13Å; F38-I41 PolarHBondContact O-N 2.86Å; I41-F44 WeakPolarHBondContact O-CB 3.36Å; I41-F44 PolarHBondContact O-N 2.99Å; I41-Y45 HydrophobicContact CG2-CD2 3.71Å; I41-Y45 HydrophobicContact CG2-CE2 3.66Å; I41-Y45 VanDerWaalsContact O-CD2 3.24Å; I41-Y45 WeakPolarHBondContact O-CD2 3.42Å; I41-Y45 PolarHBondContact O-N 2.86Å
42	T	84.4	Confident	80.9	Confident	65 Å²	65	104.8 Å²	104.8	40%	0.399	52%	0.515	S	S	.	.	H	α-helix	trans	-61.6	-45.1	177.9	-59.4	0	0	0	0	111.9	F38 Y45 I46	F38-T42 WeakPolarHBondContact O-CB 3.33Å; F38-T42 PolarHBondContact O-N 3.14Å; F38-T42 PolarHBondContact O-OG1 3.4Å; T42-Y45 PolarHBondContact O-N 3.08Å; T42-I46 HydrophobicContact CG2-CD1 3.9Å; T42-I46 HydrophobicContact CG2-CG1 4.44Å; T42-I46 VanDerWaalsContact O-CG1 3.3Å; T42-I46 WeakPolarHBondContact O-CG1 3.46Å; T42-I46 PolarHBondContact O-N 3.36Å
43	L	88.7	Confident	82.6	Confident	108 Å²	108	103.3 Å²	103.3	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-62.1	-43.8	176.8	178.9	63.2	0	0	0	111.5	A39 E40 Y45 I46 V47	A39-L43 VanDerWaalsContact O-CB 3.3Å; A39-L43 WeakPolarHBondContact O-CB 3.4Å; A39-L43 PolarHBondContact O-N 2.85Å; E40-L43 PolarHBondContact O-N 3.48Å; L43-Y45 PolarHBondContact O-N 3.35Å; L43-I46 PolarHBondContact O-N 3.32Å; L43-V47 HydrophobicContact CD1-CG2 4.27Å; L43-V47 WeakPolarHBondContact O-CG2 3.18Å; L43-V47 PolarHBondContact O-N 3.1Å
44	F	92.3	Very high	84.3	Confident	125 Å²	125	93.8 Å²	93.8	55%	0.548	48%	0.484	S	S	.	.	H	α-helix	trans	-55.2	-50.3	174.3	169.5	-95.6	0	0	0	111.1	E40 I41 I46 V47 F48	E40-F44 WeakPolarHBondContact O-CB 3.4Å; E40-F44 PolarHBondContact O-N 2.9Å; I41-F44 WeakPolarHBondContact O-CB 3.36Å; I41-F44 PolarHBondContact O-N 2.99Å; F44-I46 PolarHBondContact O-N 3.41Å; F44-V47 PolarHBondContact O-N 3.26Å; F44-F48 WeakPolarHBondContact O-CB 3.5Å; F44-F48 PolarHBondContact O-N 3.1Å
45	Y	94	Very high	86.1	Confident	111 Å²	111	94.2 Å²	94.2	44%	0.435	48%	0.484	S	S	.	.	H	α-helix	trans	-65.7	-36.3	179	-83	-73.7	0	0	0	112.9	I41 T42 L43 Y49	I41-Y45 HydrophobicContact CG2-CD2 3.71Å; I41-Y45 HydrophobicContact CG2-CE2 3.66Å; I41-Y45 VanDerWaalsContact O-CD2 3.24Å; I41-Y45 WeakPolarHBondContact O-CD2 3.42Å; I41-Y45 PolarHBondContact O-N 2.86Å; T42-Y45 PolarHBondContact O-N 3.08Å; L43-Y45 PolarHBondContact O-N 3.35Å; Y45-Y49 HydrophobicContact CD1-CD2 4.08Å; Y45-Y49 AromaticContact CD1-CE2 3.49Å; Y45-Y49 HydrophobicContact CD1-CE2 3.49Å; Y45-Y49 VanDerWaalsContact CD1-CE2 3.49Å; Y45-Y49 HydrophobicContact CE1-CE2 4.27Å; Y45-Y49 HydrophobicContact CG-CE2 4.29Å; Y45-Y49 VanDerWaalsContact O-CB 3.3Å; Y45-Y49 WeakPolarHBondContact O-CB 3.35Å; Y45-Y49 WeakPolarHBondContact O-CD2 3.07Å; Y45-Y49 PolarHBondContact O-N 3.2Å
46	I	95	Very high	88.1	Confident	104 Å²	104	92.1 Å²	92.1	53%	0.533	48%	0.475	S	S	.	.	H	α-helix	trans	-61	-50.7	174.9	-72	167.4	0	0	0	110.7	T42 L43 F44 S50	T42-I46 HydrophobicContact CG2-CD1 3.9Å; T42-I46 HydrophobicContact CG2-CG1 4.44Å; T42-I46 VanDerWaalsContact O-CG1 3.3Å; T42-I46 WeakPolarHBondContact O-CG1 3.46Å; T42-I46 PolarHBondContact O-N 3.36Å; L43-I46 PolarHBondContact O-N 3.32Å; F44-I46 PolarHBondContact O-N 3.41Å; I46-S50 WeakPolarHBondContact O-CB 3.09Å; I46-S50 PolarHBondContact O-N 3.17Å; I46-S50 PolarHBondContact O-OG 3.09Å
47	V	96.2	Very high	90.1	Very high	76 Å²	76	88.7 Å²	88.7	46%	0.461	47%	0.471	S	S	.	.	H	α-helix	trans	-64.7	-47.7	179.7	175.9	0	0	0	0	110.1	L43 F44 Y49 S50 C51	L43-V47 HydrophobicContact CD1-CG2 4.27Å; L43-V47 WeakPolarHBondContact O-CG2 3.18Å; L43-V47 PolarHBondContact O-N 3.1Å; F44-V47 PolarHBondContact O-N 3.26Å; V47-Y49 PolarHBondContact O-N 3.25Å; V47-S50 PolarHBondContact O-N 3.34Å; V47-S50 PolarHBondContact O-OG 3.45Å; V47-C51 PolarHBondContact O-N 3.28Å; V47-C51 PolarHBondContact O-SG 3.26Å; V47-C51 VanDerWaalsContact O-SG 3.4Å
48	F	96.7	Very high	91.9	Very high	90 Å²	90	91.7 Å²	91.7	40%	0.395	48%	0.484	S	S	.	.	H	α-helix	trans	-57.1	-50	178.8	177.7	-106.2	0	0	0	112.3	F44 S50 C51 L52	F44-F48 WeakPolarHBondContact O-CB 3.5Å; F44-F48 PolarHBondContact O-N 3.1Å; F48-S50 VanDerWaalsContact C-N 3.34Å; F48-S50 PolarHBondContact O-N 3.25Å; F48-C51 PolarHBondContact O-N 2.81Å; F48-L52 HydrophobicContact CD1-CD1 3.92Å; F48-L52 HydrophobicContact CE1-CD1 3.32Å; F48-L52 HydrophobicContact CE1-CG 4.19Å; F48-L52 HydrophobicContact CE2-CD1 4.32Å; F48-L52 HydrophobicContact CE2-CG 4.41Å; F48-L52 HydrophobicContact CZ-CD1 3.56Å; F48-L52 HydrophobicContact CZ-CD2 4.48Å; F48-L52 HydrophobicContact CZ-CG 4.12Å; F48-L52 PolarHBondContact O-N 3.15Å
49	Y	97.3	Very high	93.2	Very high	139 Å²	139	90.4 Å²	90.4	55%	0.545	48%	0.482	S	S	.	.	H	α-helix	trans	-68.5	-31.2	178.2	-78.2	-61.6	0	0	0	112.8	Y45 V47 L52 A53	Y45-Y49 HydrophobicContact CD1-CD2 4.08Å; Y45-Y49 AromaticContact CD1-CE2 3.49Å; Y45-Y49 HydrophobicContact CD1-CE2 3.49Å; Y45-Y49 VanDerWaalsContact CD1-CE2 3.49Å; Y45-Y49 HydrophobicContact CE1-CE2 4.27Å; Y45-Y49 HydrophobicContact CG-CE2 4.29Å; Y45-Y49 VanDerWaalsContact O-CB 3.3Å; Y45-Y49 WeakPolarHBondContact O-CB 3.35Å; Y45-Y49 WeakPolarHBondContact O-CD2 3.07Å; Y45-Y49 PolarHBondContact O-N 3.2Å; V47-Y49 PolarHBondContact O-N 3.25Å; Y49-L52 HydrophobicContact CD1-CD1 4.05Å; Y49-L52 HydrophobicContact CE1-CD1 4.3Å; Y49-L52 PolarHBondContact O-N 3.15Å; Y49-A53 VanDerWaalsContact O-CB 3.28Å; Y49-A53 WeakPolarHBondContact O-CB 3.19Å; Y49-A53 PolarHBondContact O-N 3.41Å
50	S	97	Very high	94.3	Very high	70 Å²	70	91.8 Å²	91.8	49%	0.49	48%	0.481	S	S	.	.	H	α-helix	trans	-64.8	-41.3	172.8	77.1	0	0	0	0	111.9	I46 V47 F48 A53 G54	I46-S50 WeakPolarHBondContact O-CB 3.09Å; I46-S50 PolarHBondContact O-N 3.17Å; I46-S50 PolarHBondContact O-OG 3.09Å; V47-S50 PolarHBondContact O-N 3.34Å; V47-S50 PolarHBondContact O-OG 3.45Å; F48-S50 VanDerWaalsContact C-N 3.34Å; F48-S50 PolarHBondContact O-N 3.25Å; S50-A53 PolarHBondContact O-N 3.14Å; S50-G54 PolarHBondContact O-N 3.29Å
51	C	97.4	Very high	95	Very high	83 Å²	83	87.6 Å²	87.6	56%	0.561	47%	0.47	S	S	*	.	H	α-helix	trans	-65.9	-42.8	174.4	-66.8	0	0	0	0	111.6	V47 F48 G54 F55	V47-C51 PolarHBondContact O-N 3.28Å; V47-C51 PolarHBondContact O-SG 3.26Å; V47-C51 VanDerWaalsContact O-SG 3.4Å; F48-C51 PolarHBondContact O-N 2.81Å; C51-G54 PolarHBondContact O-N 3.28Å; C51-F55 WeakPolarHBondContact O-CB 3.42Å; C51-F55 PolarHBondContact O-N 2.96Å
52	L	97.4	Very high	95.5	Very high	75 Å²	75	87.7 Å²	87.7	39%	0.393	47%	0.47	S	S	.	.	H	α-helix	trans	-62.5	-42.9	175.1	-75.3	-179.5	0	0	0	112.3	F48 Y49 G54 F55 F56	F48-L52 HydrophobicContact CD1-CD1 3.92Å; F48-L52 HydrophobicContact CE1-CD1 3.32Å; F48-L52 HydrophobicContact CE1-CG 4.19Å; F48-L52 HydrophobicContact CE2-CD1 4.32Å; F48-L52 HydrophobicContact CE2-CG 4.41Å; F48-L52 HydrophobicContact CZ-CD1 3.56Å; F48-L52 HydrophobicContact CZ-CD2 4.48Å; F48-L52 HydrophobicContact CZ-CG 4.12Å; F48-L52 PolarHBondContact O-N 3.15Å; Y49-L52 HydrophobicContact CD1-CD1 4.05Å; Y49-L52 HydrophobicContact CE1-CD1 4.3Å; Y49-L52 PolarHBondContact O-N 3.15Å; L52-G54 VanDerWaalsContact C-N 3.35Å; L52-F55 PolarHBondContact O-N 3.41Å; L52-F56 WeakPolarHBondContact O-CB 3.42Å; L52-F56 PolarHBondContact O-N 2.97Å
53	A	97.6	Very high	96	Very high	58 Å²	58	90.1 Å²	90.1	48%	0.479	48%	0.476	S	S	.	.	H	α-helix	trans	-63.1	-41.5	176.2	0	0	0	0	0	111.4	Y49 S50 F56 A57	Y49-A53 VanDerWaalsContact O-CB 3.28Å; Y49-A53 WeakPolarHBondContact O-CB 3.19Å; Y49-A53 PolarHBondContact O-N 3.41Å; S50-A53 PolarHBondContact O-N 3.14Å; A53-F56 PolarHBondContact O-N 3.24Å; A53-A57 WeakPolarHBondContact O-CB 3.37Å; A53-A57 PolarHBondContact O-N 3.08Å
54	G	97.6	Very high	96.1	Very high	32 Å²	32	90 Å²	90	33%	0.33	48%	0.475	S	S	.	.	H	α-helix	trans	-62.2	-46.3	173.5	0	0	0	0	0	112.7	S50 C51 L52 F56 A57 I58	S50-G54 PolarHBondContact O-N 3.29Å; C51-G54 PolarHBondContact O-N 3.28Å; L52-G54 VanDerWaalsContact C-N 3.35Å; G54-F56 PolarHBondContact O-N 2.79Å; G54-A57 PolarHBondContact O-N 3.48Å; G54-I58 VanDerWaalsContact O-CG1 3.29Å; G54-I58 WeakPolarHBondContact O-CG1 3.32Å; G54-I58 PolarHBondContact O-N 3.43Å
55	F	97.5	Very high	96.1	Very high	132 Å²	132	91.9 Å²	91.9	58%	0.579	49%	0.486	S	S	*	.	H	α-helix	trans	-60.6	-44.9	175.2	178.3	-107	0	0	0	111.8	C51 L52 I58 N59	C51-F55 WeakPolarHBondContact O-CB 3.42Å; C51-F55 PolarHBondContact O-N 2.96Å; L52-F55 PolarHBondContact O-N 3.41Å; F55-I58 PolarHBondContact O-N 2.99Å; F55-N59 WeakPolarHBondContact CD1-ND2 3.38Å; F55-N59 WeakPolarHBondContact CE1-ND2 3.32Å; F55-N59 VanDerWaalsContact CE2-ND2 3.31Å; F55-N59 WeakPolarHBondContact CE2-ND2 3.25Å; F55-N59 WeakPolarHBondContact CZ-ND2 3.44Å; F55-N59 PolarHBondContact O-N 3.32Å; F55-N59 PolarHBondContact O-ND2 3.03Å
56	F	98	Very high	95.9	Very high	132 Å²	132	93.3 Å²	93.3	58%	0.579	50%	0.5	S	S	*	.	H	α-helix	trans	-60.9	-45.3	174.9	177.7	-97.9	0	0	0	111.8	L52 A53 G54 I58 N59 M60	L52-F56 WeakPolarHBondContact O-CB 3.42Å; L52-F56 PolarHBondContact O-N 2.97Å; A53-F56 PolarHBondContact O-N 3.24Å; G54-F56 PolarHBondContact O-N 2.79Å; F56-I58 VanDerWaalsContact C-N 3.34Å; F56-I58 PolarHBondContact O-N 2.92Å; F56-N59 PolarHBondContact O-N 3.18Å; F56-M60 HydrophobicContact CE1-CE 4.01Å; F56-M60 HydrophobicContact CE2-CE 4.07Å; F56-M60 HydrophobicContact CZ-CE 3.42Å; F56-M60 VanDerWaalsContact CZ-CE 3.42Å; F56-M60 VanDerWaalsContact O-CB 3.31Å; F56-M60 WeakPolarHBondContact O-CB 3.44Å; F56-M60 PolarHBondContact O-N 3.15Å
57	A	97.7	Very high	95.6	Very high	56 Å²	56	91 Å²	91	46%	0.463	49%	0.491	S	S	.	.	H	α-helix	trans	-61.9	-40.2	178.4	0	0	0	0	0	112.3	A53 G54 M60 A61	A53-A57 WeakPolarHBondContact O-CB 3.37Å; A53-A57 PolarHBondContact O-N 3.08Å; G54-A57 PolarHBondContact O-N 3.48Å; A57-M60 PolarHBondContact O-N 2.82Å; A57-A61 WeakPolarHBondContact O-CB 3.16Å; A57-A61 PolarHBondContact O-N 2.7Å
58	I	97.2	Very high	95.1	Very high	106 Å²	106	92.3 Å²	92.3	54%	0.544	50%	0.495	S	S	.	.	H	α-helix	trans	-63.8	-49.1	175.1	-68.2	164.8	0	0	0	110.6	G54 F55 F56 M60 A61 I62	G54-I58 VanDerWaalsContact O-CG1 3.29Å; G54-I58 WeakPolarHBondContact O-CG1 3.32Å; G54-I58 PolarHBondContact O-N 3.43Å; F55-I58 PolarHBondContact O-N 2.99Å; F56-I58 VanDerWaalsContact C-N 3.34Å; F56-I58 PolarHBondContact O-N 2.92Å; I58-M60 VanDerWaalsContact C-N 3.31Å; I58-M60 PolarHBondContact O-N 2.9Å; I58-A61 PolarHBondContact O-N 2.86Å; I58-I62 HydrophobicContact CG2-CD1 4Å; I58-I62 WeakPolarHBondContact O-CG1 3.11Å; I58-I62 PolarHBondContact O-N 3.29Å
59	N	96.9	Very high	94.6	Very high	71 Å²	71	94.1 Å²	94.1	38%	0.38	52%	0.519	S	S	.	.	H	α-helix	trans	-61.5	-40.4	177.6	-73.6	-62.8	0	0	0	111.9	F55 F56 I62 F63	F55-N59 WeakPolarHBondContact CD1-ND2 3.38Å; F55-N59 WeakPolarHBondContact CE1-ND2 3.32Å; F55-N59 VanDerWaalsContact CE2-ND2 3.31Å; F55-N59 WeakPolarHBondContact CE2-ND2 3.25Å; F55-N59 WeakPolarHBondContact CZ-ND2 3.44Å; F55-N59 PolarHBondContact O-N 3.32Å; F55-N59 PolarHBondContact O-ND2 3.03Å; F56-N59 PolarHBondContact O-N 3.18Å; N59-I62 PolarHBondContact O-N 2.55Å; N59-F63 WeakPolarHBondContact O-CB 3.48Å; N59-F63 PolarHBondContact O-N 2.94Å
60	M	95.7	Very high	93.9	Very high	76 Å²	76	92.5 Å²	92.5	37%	0.374	52%	0.515	S	S	.	.	H	α-helix	trans	-64	-42	175.7	-173.2	61	70.8	0	0	111.4	F56 A57 I58 F63 L64	F56-M60 HydrophobicContact CE1-CE 4.01Å; F56-M60 HydrophobicContact CE2-CE 4.07Å; F56-M60 HydrophobicContact CZ-CE 3.42Å; F56-M60 VanDerWaalsContact CZ-CE 3.42Å; F56-M60 VanDerWaalsContact O-CB 3.31Å; F56-M60 WeakPolarHBondContact O-CB 3.44Å; F56-M60 PolarHBondContact O-N 3.15Å; A57-M60 PolarHBondContact O-N 2.82Å; I58-M60 VanDerWaalsContact C-N 3.31Å; I58-M60 PolarHBondContact O-N 2.9Å; M60-F63 PolarHBondContact O-N 3.27Å; M60-F63 HydrophobicContact SD-CD1 4.14Å; M60-L64 HydrophobicContact CG-CD1 4.22Å; M60-L64 HydrophobicContact CG-CG 4.49Å; M60-L64 VanDerWaalsContact O-CG 3.31Å; M60-L64 WeakPolarHBondContact O-CG 3.37Å; M60-L64 PolarHBondContact O-N 3.09Å; M60-L64 HydrophobicContact SD-CG 4.43Å
61	A	95.8	Very high	93.3	Very high	47 Å²	47	90.7 Å²	90.7	39%	0.388	50%	0.501	S	S	.	.	H	α-helix	trans	-62.8	-43.7	177	0	0	0	0	0	112	A57 I58 L64 Q65	A57-A61 WeakPolarHBondContact O-CB 3.16Å; A57-A61 PolarHBondContact O-N 2.7Å; I58-A61 PolarHBondContact O-N 2.86Å; A61-L64 PolarHBondContact O-N 2.75Å; A61-Q65 WeakPolarHBondContact O-CG 3.27Å; A61-Q65 PolarHBondContact O-N 3.39Å; A61-Q65 VanDerWaalsContact O-N 3.1Å
62	I	95.7	Very high	92.8	Very high	85 Å²	85	89.9 Å²	89.9	44%	0.436	50%	0.495	S	S	.	.	H	α-helix	trans	-61.8	-46.7	174.4	-65.8	166.6	0	0	0	110.2	I58 N59 L64 Q65 L66	I58-I62 HydrophobicContact CG2-CD1 4Å; I58-I62 WeakPolarHBondContact O-CG1 3.11Å; I58-I62 PolarHBondContact O-N 3.29Å; N59-I62 PolarHBondContact O-N 2.55Å; I62-L64 PolarHBondContact O-N 3.04Å; I62-Q65 PolarHBondContact O-N 3.49Å; I62-L66 HydrophobicContact CG2-CD1 4.01Å; I62-L66 HydrophobicContact CG2-CG 4.5Å; I62-L66 WeakPolarHBondContact O-CG 3.18Å; I62-L66 PolarHBondContact O-N 3.43Å; I62-L66 VanDerWaalsContact O-N 3.12Å
63	F	94.1	Very high	92.1	Very high	116 Å²	116	95.6 Å²	95.6	51%	0.509	51%	0.511	S	S	.	.	H	α-helix	trans	-57.2	-46.9	178.2	174.5	-101.8	0	0	0	112.1	N59 M60 Q65 L66 T67	N59-F63 WeakPolarHBondContact O-CB 3.48Å; N59-F63 PolarHBondContact O-N 2.94Å; M60-F63 PolarHBondContact O-N 3.27Å; M60-F63 HydrophobicContact SD-CD1 4.14Å; F63-Q65 VanDerWaalsContact C-N 3.29Å; F63-Q65 PolarHBondContact O-N 3.37Å; F63-L66 PolarHBondContact O-N 3.35Å; F63-L66 VanDerWaalsContact O-N 3.11Å; F63-T67 HydrophobicContact CE1-CG2 4.19Å; F63-T67 HydrophobicContact CE2-CG2 4.4Å; F63-T67 HydrophobicContact CZ-CG2 4.07Å; F63-T67 PolarHBondContact O-N 3.09Å
64	L	92.3	Very high	91.3	Very high	107 Å²	107	100.4 Å²	100.4	56%	0.56	52%	0.518	S	S	*	.	H	α-helix	trans	-65.7	-29.5	178.8	-68.9	174.4	0	0	0	113.2	M60 A61 I62 L66 T67	M60-L64 HydrophobicContact CG-CD1 4.22Å; M60-L64 HydrophobicContact CG-CG 4.49Å; M60-L64 VanDerWaalsContact O-CG 3.31Å; M60-L64 WeakPolarHBondContact O-CG 3.37Å; M60-L64 PolarHBondContact O-N 3.09Å; M60-L64 HydrophobicContact SD-CG 4.43Å; A61-L64 PolarHBondContact O-N 2.75Å; I62-L64 PolarHBondContact O-N 3.04Å; L64-L66 VanDerWaalsContact C-N 3.34Å; L64-T67 PolarHBondContact O-OG1 3.24Å
65	Q	90.8	Very high	90.6	Very high	164 Å²	164	104.2 Å²	104.2	77%	0.766	52%	0.523	S	S	*	.	H	α-helix	trans	-73.6	-25.9	173.6	-72.5	177.3	5.9	0	0	113	A61 I62 F63	A61-Q65 WeakPolarHBondContact O-CG 3.27Å; A61-Q65 PolarHBondContact O-N 3.39Å; A61-Q65 VanDerWaalsContact O-N 3.1Å; I62-Q65 PolarHBondContact O-N 3.49Å; F63-Q65 VanDerWaalsContact C-N 3.29Å; F63-Q65 PolarHBondContact O-N 3.37Å
66	L	90.7	Very high	89.6	Confident	140 Å²	140	98.9 Å²	98.9	73%	0.733	51%	0.506	S	S	*	.	H	α-helix	trans	-83.7	-11.8	177.6	-66.5	172.1	0	0	0	113.1	I62 F63 L64	I62-L66 HydrophobicContact CG2-CD1 4.01Å; I62-L66 HydrophobicContact CG2-CG 4.5Å; I62-L66 WeakPolarHBondContact O-CG 3.18Å; I62-L66 PolarHBondContact O-N 3.43Å; I62-L66 VanDerWaalsContact O-N 3.12Å; F63-L66 PolarHBondContact O-N 3.35Å; F63-L66 VanDerWaalsContact O-N 3.11Å; L64-L66 VanDerWaalsContact C-N 3.34Å
67	T	88.4	Confident	88.4	Confident	56 Å²	56	102 Å²	102	34%	0.344	52%	0.519	S	S	.	.	S	Bend	trans	-89.2	135.8	177.2	53.4	0	0	0	0	111.4	F63 L64	F63-T67 HydrophobicContact CE1-CG2 4.19Å; F63-T67 HydrophobicContact CE2-CG2 4.4Å; F63-T67 HydrophobicContact CZ-CG2 4.07Å; F63-T67 PolarHBondContact O-N 3.09Å; L64-T67 PolarHBondContact O-OG1 3.24Å
68	D	86.4	Confident	87	Confident	104 Å²	104	103.1 Å²	103.1	56%	0.556	54%	0.536	S	S	*	.			trans	-65.5	137.6	169.5	-169.1	-30.2	0	0	0	109.7	K70 V71	D68-K70 PolarHBondContact OD1-N 2.74Å; D68-V71 HydrophobicContact CB-CG2 4.35Å
69	S	85.2	Confident	86.2	Confident	128 Å²	128	98.9 Å²	98.9	90%	0.895	52%	0.516	S	S	*	.	S	Bend	trans	-80.1	-20.9	179.2	64.2	0	0	0	0	113.9
70	K	83.3	Confident	85.1	Confident	104 Å²	104	104.4 Å²	104.4	45%	0.452	54%	0.544	S	S	.	.	S	Bend	trans	-95.4	-42.2	-175.3	-170.4	175	-178.2	176.5	0	112.3	D68 D147 V248	D68-K70 PolarHBondContact OD1-N 2.74Å; K70-D147 IonicContact NZ-OD1 3.19Å; K70-D147 PolarHBondContact NZ-OD1 3.43Å; K70-V248 HydrophobicContact CG-CB 4.22Å; K70-V248 HydrophobicContact CG-CG1 4.14Å; K70-V248 WeakPolarHBondContact O-CG1 3.39Å
71	V	84.3	Confident	83.9	Confident	33 Å²	33	106.5 Å²	106.5	20%	0.2	56%	0.555	C	S	.	*	S	Bend	trans	-125.8	141.4	-176.1	-65.2	0	0	0	0	111.3	D68 Y75 I186 V248	D68-V71 HydrophobicContact CB-CG2 4.35Å; V71-Y75 HydrophobicContact CB-CE1 4.04Å; V71-Y75 HydrophobicContact CG2-CE1 4.19Å; V71-I186 HydrophobicContact CG1-CD1 4.48Å; V71-V248 HydrophobicContact CG1-CG2 3.99Å
72	P	85.6	Confident	83.2	Confident	66 Å²	66	105.4 Å²	105.4	43%	0.429	55%	0.549	S	S	.	.			trans	-62.9	153.1	172.9	28.7	-34.2	0	0	0	110.1	Y74 Y75 I186	P72-Y74 VanDerWaalsContact C-N 3.28Å; P72-Y74 PolarHBondContact O-N 3.47Å; P72-Y75 HydrophobicContact CG-CD1 4Å; P72-Y75 HydrophobicContact CG-CG 4.38Å; P72-Y75 WeakPolarHBondContact O-CD1 3.36Å; P72-Y75 VanDerWaalsContact O-CE1 3.28Å; P72-Y75 WeakPolarHBondContact O-CE1 3.38Å; P72-I186 VanDerWaalsContact CD-CD1 3.45Å; P72-I186 HydrophobicContact CG-CD1 3.98Å
73	R	82.5	Confident	82.7	Confident	194 Å²	194	105.5 Å²	105.5	73%	0.732	55%	0.549	S	S	*	.	S	Bend	trans	-64.5	-33.6	178.4	-176.8	173.9	-179.9	171.6	0.4	113.2
74	Y	82.7	Confident	82.6	Confident	160 Å²	160	100.9 Å²	100.9	63%	0.627	53%	0.53	S	S	*	.	S	Bend	trans	-120.2	104.6	-178	-59	-75.7	0	0	0	109.4	P72	P72-Y74 VanDerWaalsContact C-N 3.28Å; P72-Y74 PolarHBondContact O-N 3.47Å
75	Y	81.1	Confident	82.6	Confident	111 Å²	111	95.9 Å²	95.9	44%	0.435	50%	0.503	S	S	.	.			trans	-140.5	155.8	169.8	59.5	-80	0	0	0	110.1	V71 P72 I186	V71-Y75 HydrophobicContact CB-CE1 4.04Å; V71-Y75 HydrophobicContact CG2-CE1 4.19Å; P72-Y75 HydrophobicContact CG-CD1 4Å; P72-Y75 HydrophobicContact CG-CG 4.38Å; P72-Y75 WeakPolarHBondContact O-CD1 3.36Å; P72-Y75 VanDerWaalsContact O-CE1 3.28Å; P72-Y75 WeakPolarHBondContact O-CE1 3.38Å; Y75-I186 HydrophobicContact CD2-CB 3.82Å; Y75-I186 HydrophobicContact CD2-CG2 3.82Å; Y75-I186 HydrophobicContact CE2-CB 4.27Å; Y75-I186 HydrophobicContact CE2-CG2 3.73Å; Y75-I186 HydrophobicContact CG-CB 4.35Å
76	G	77.4	Confident	82.7	Confident	21 Å²	21	88.5 Å²	88.5	22%	0.216	47%	0.471	C	S	.	.	S	Bend	trans	78.3	-147.4	179.6	0	0	0	0	0	113.1	G78 S79 I83	G76-G78 PolarHBondContact O-N 3.43Å; G76-S79 PolarHBondContact N-OG 2.87Å; G76-S79 WeakPolarHBondContact O-CB 3.21Å; G76-S79 PolarHBondContact O-N 2.81Å; G76-S79 VanDerWaalsContact O-N 3.07Å; G76-S79 PolarHBondContact O-OG 3.12Å; G76-I83 VanDerWaalsContact C-CG2 3.49Å
77	K	72.6	Confident	82.9	Confident	196 Å²	196	82.6 Å²	82.6	85%	0.852	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	116.2	-170.2	-165.8	175.7	179.9	178.9	0	110.4	I83	K77-I83 HydrophobicContact CB-CG2 3.87Å; K77-I83 VanDerWaalsContact N-CG2 3.27Å
78	G	69.4	Low	83.2	Confident	80 Å²	80	81 Å²	81	83%	0.825	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.1	-1.7	-177.5	0	0	0	0	0	115	G76	G76-G78 PolarHBondContact O-N 3.43Å
79	S	79.3	Confident	83.6	Confident	18 Å²	18	77 Å²	77	13%	0.126	41%	0.412	C	S	.	.	S	Bend	trans	-83.4	157.1	168.1	70.9	0	0	0	0	111.4	G76 I81 G82	G76-S79 PolarHBondContact N-OG 2.87Å; G76-S79 WeakPolarHBondContact O-CB 3.21Å; G76-S79 PolarHBondContact O-N 2.81Å; G76-S79 VanDerWaalsContact O-N 3.07Å; G76-S79 PolarHBondContact O-OG 3.12Å; S79-I81 PolarHBondContact O-N 3.34Å; S79-G82 PolarHBondContact O-N 3.34Å; S79-G82 PolarHBondContact OG-N 3.5Å
80	I	73.2	Confident	84.1	Confident	187 Å²	187	72.4 Å²	72.4	96%	0.959	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-30.4	174.6	-61.5	170.7	0	0	0	111.2	G82	I80-G82 VanDerWaalsContact C-N 3.29Å
81	I	71.3	Confident	84.7	Confident	119 Å²	119	67.5 Å²	67.5	61%	0.61	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-27.5	177.1	-58.4	171.7	0	0	0	111.2	S79 L185	S79-I81 PolarHBondContact O-N 3.34Å; I81-L185 HydrophobicContact CG2-CD2 3.64Å
82	G	80.4	Confident	84.9	Confident	25 Å²	25	70.2 Å²	70.2	26%	0.258	36%	0.362	S	S	.	.			trans	72.6	-160.2	-179	0	0	0	0	0	114	S79 I80	S79-G82 PolarHBondContact O-N 3.34Å; S79-G82 PolarHBondContact OG-N 3.5Å; I80-G82 VanDerWaalsContact C-N 3.29Å
83	I	85.9	Confident	85.1	Confident	86 Å²	86	68.5 Å²	68.5	44%	0.441	35%	0.349	S	S	.	.	S	Bend	trans	-117.1	4.4	-178.9	57.4	170.4	0	0	0	112.9	G76 K77 W188	G76-I83 VanDerWaalsContact C-CG2 3.49Å; K77-I83 HydrophobicContact CB-CG2 3.87Å; K77-I83 VanDerWaalsContact N-CG2 3.27Å; I83-W188 PolarHBondContact O-NE1 2.96Å
84	N	91.6	Very high	85.2	Confident	20 Å²	20	67.8 Å²	67.8	11%	0.107	35%	0.346	C	S	.	.			trans	-108.6	111.8	-172.6	-169.4	8.3	0	0	0	109.6	M282	N84-M282 WeakPolarHBondContact ND2-CA 3.33Å; N84-M282 VanDerWaalsContact ND2-CB 3.35Å; N84-M282 WeakPolarHBondContact ND2-CB 3.28Å; N84-M282 PolarHBondContact ND2-N 2.88Å; N84-M282 PolarHBondContact ND2-O 3.19Å; N84-M282 PolarHBondContact OD1-N 3.23Å
85	P	92.3	Very high	85.3	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.006	36%	0.359	C	S	.	.			trans	-71.2	136.6	-178	29.5	-34.4	0	0	0	111	L182 L185 W188 I281 G290	P85-L182 HydrophobicContact CB-CD2 4.08Å; P85-L182 HydrophobicContact CG-CD2 4.02Å; P85-L185 HydrophobicContact CB-CD1 3.99Å; P85-L185 HydrophobicContact CB-CG 4.39Å; P85-W188 HydrophobicContact CG-CD2 4.43Å; P85-W188 HydrophobicContact CG-CH2 4.16Å; P85-W188 HydrophobicContact CG-CZ2 3.74Å; P85-I281 HydrophobicContact CG-CD1 4.31Å; P85-I281 HydrophobicContact CG-CG1 4.16Å; P85-G290 WeakPolarHBondContact O-CA 3.36Å; P85-G290 PolarHBondContact O-N 2.86Å
86	G	92.6	Very high	85.4	Confident	9 Å²	9	66.5 Å²	66.5	9%	0.093	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-73.2	164.8	160.7	0	0	0	0	0	111.1	N183	G86-N183 PolarHBondContact O-N 2.75Å
87	M	95	Very high	85.6	Confident	17 Å²	17	69.3 Å²	69.3	8%	0.084	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	153.1	169.9	-68.5	-179.2	78.3	0	0	110.9	L180 T181 L182 V215 A276 V292	M87-L180 HydrophobicContact CE-CB 4.1Å; M87-L180 HydrophobicContact CE-CD1 4.36Å; M87-T181 CarbonylContact C-O 3.58Å; M87-T181 VanDerWaalsContact CA-O 3.3Å; M87-T181 WeakPolarHBondContact CA-O 3.43Å; M87-L182 HydrophobicContact CG-CD2 3.75Å; M87-V215 HydrophobicContact CE-CG1 4.12Å; M87-A276 HydrophobicContact CE-CB 4.05Å; M87-A276 HydrophobicContact CG-CB 3.9Å; M87-A276 HydrophobicContact SD-CB 3.41Å; M87-A276 WeakPolarHBondContact SD-CB 3.49Å; M87-A276 PolarHBondContact SD-N 3.15Å; M87-V292 HydrophobicContact CB-CB 3.71Å; M87-V292 HydrophobicContact CB-CG1 3.84Å; M87-V292 HydrophobicContact CE-CG1 4.31Å; M87-V292 HydrophobicContact SD-CG1 4.45Å
88	G	94.3	Very high	86.1	Confident	21 Å²	21	68.8 Å²	68.8	22%	0.216	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.9	169.7	0	0	0	0	0	110	T181	G88-T181 PolarHBondContact N-O 3.23Å; G88-T181 PolarHBondContact O-N 2.9Å; G88-T181 PolarHBondContact O-OG1 2.91Å
89	Y	96.2	Very high	87	Confident	20 Å²	20	66.7 Å²	66.7	8%	0.078	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	160.1	177.3	75.6	-81.4	0	0	0	111.8	P91 W92 T100 I102 I178 V179 V292 F294	Y89-P91 WeakPolarHBondContact CE2-O 3.23Å; Y89-W92 HydrophobicContact CE2-CB 4.33Å; Y89-T100 WeakPolarHBondContact OH-CA 3.4Å; Y89-T100 PolarHBondContact OH-O 2.97Å; Y89-I102 HydrophobicContact CD2-CD1 4.35Å; Y89-I102 HydrophobicContact CE2-CD1 4.09Å; Y89-I102 HydrophobicContact CE2-CG1 4.5Å; Y89-I178 HydrophobicContact CD2-CG2 4.24Å; Y89-V179 CarbonylContact C-O 3.57Å; Y89-V179 WeakPolarHBondContact CA-O 3.41Å; Y89-V292 HydrophobicContact CD1-CG2 3.55Å; Y89-V292 HydrophobicContact CE1-CG2 4.39Å; Y89-V292 HydrophobicContact CG-CG2 4.39Å; Y89-F294 HydrophobicContact CD1-CB 4.11Å; Y89-F294 HydrophobicContact CD1-CD1 4.24Å; Y89-F294 HydrophobicContact CD2-CB 4.15Å; Y89-F294 HydrophobicContact CD2-CD1 4.29Å; Y89-F294 HydrophobicContact CD2-CG 4.25Å; Y89-F294 HydrophobicContact CE1-CB 3.76Å; Y89-F294 HydrophobicContact CE2-CB 3.83Å; Y89-F294 HydrophobicContact CE2-CG 4.36Å; Y89-F294 HydrophobicContact CG-CB 4.29Å; Y89-F294 HydrophobicContact CG-CD1 4Å; Y89-F294 HydrophobicContact CG-CG 4.35Å
90	Q	95.6	Very high	87.7	Confident	33 Å²	33	67.3 Å²	67.3	15%	0.154	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.6	163.4	-66.2	-67.8	-45.9	0	0	108.7	L119 F122 I178 V179	Q90-L119 HydrophobicContact CB-CD2 3.95Å; Q90-F122 HydrophobicContact CG-CD2 3.79Å; Q90-F122 HydrophobicContact CG-CE2 4.04Å; Q90-F122 HydrophobicContact CG-CG 4.3Å; Q90-I178 WeakPolarHBondContact O-CG2 3.42Å; Q90-V179 HydrophobicContact CB-CB 4.05Å; Q90-V179 HydrophobicContact CB-CG1 4.48Å; Q90-V179 PolarHBondContact N-O 2.86Å; Q90-V179 PolarHBondContact O-N 2.9Å
91	P	94.5	Very high	88.7	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.006	32%	0.315	C	S	.	.			cis	-86.9	123	11.3	24.7	-18.8	0	0	0	113.4	Y89 Y115 Q118 L119 F171	Y89-P91 WeakPolarHBondContact CE2-O 3.23Å; P91-Y115 HydrophobicContact CB-CD1 4.05Å; P91-Y115 HydrophobicContact CG-CD1 3.83Å; P91-Y115 HydrophobicContact CG-CG 4.08Å; P91-Q118 HydrophobicContact CB-CB 4.12Å; P91-Q118 HydrophobicContact CB-CG 3.97Å; P91-L119 HydrophobicContact CB-CD2 4.38Å; P91-L119 HydrophobicContact CB-CG 3.99Å; P91-L119 HydrophobicContact CG-CD1 4.06Å; P91-L119 HydrophobicContact CG-CD2 4.49Å; P91-L119 HydrophobicContact CG-CG 4.01Å; P91-F171 HydrophobicContact CG-CE1 4.48Å; P91-F171 HydrophobicContact CG-CE2 4.49Å; P91-F171 HydrophobicContact CG-CZ 3.74Å
92	W	90.1	Very high	89.9	Confident	89 Å²	89	55 Å²	55	34%	0.337	29%	0.286	S	S	.	.			trans	-106.1	126.6	166.3	178.6	63.9	0	0	0	108.8	Y89 R94 P97 Q118	Y89-W92 HydrophobicContact CE2-CB 4.33Å; W92-R94 HydrophobicContact CZ3-CG 4.44Å; W92-P97 HydrophobicContact CH2-CB 4.34Å; W92-P97 HydrophobicContact CZ2-CB 3.86Å; W92-Q118 PolarHBondContact O-NE2 3.22Å
93	L	90.1	Very high	90.6	Very high	30 Å²	30	56.8 Å²	56.8	16%	0.157	29%	0.285	C	S	.	.			trans	-85.5	132.6	-176.8	-61.8	179.4	0	0	0	110	K114 Y115 Q118	L93-K114 HydrophobicContact CD1-CD 3.67Å; L93-K114 HydrophobicContact CD1-CG 4.07Å; L93-K114 HydrophobicContact CD2-CB 4.44Å; L93-K114 HydrophobicContact CD2-CG 4.44Å; L93-Y115 HydrophobicContact CD1-CD1 4.03Å; L93-Y115 HydrophobicContact CD1-CE1 3.47Å; L93-Y115 VanDerWaalsContact CD1-CE1 3.47Å; L93-Y115 HydrophobicContact CD2-CD1 4.03Å; L93-Y115 HydrophobicContact CD2-CE1 4.31Å; L93-Y115 HydrophobicContact CG-CD1 3.97Å; L93-Y115 HydrophobicContact CG-CE1 3.75Å; L93-Q118 HydrophobicContact CD2-CB 4.28Å
94	R	84.4	Confident	91.1	Very high	180 Å²	180	52.7 Å²	52.7	68%	0.679	26%	0.264	S	S	*	.	S	Bend	trans	-81.2	-23.1	-180	-59.2	-177.5	105.6	179	7	112.9	W92 D96	W92-R94 HydrophobicContact CZ3-CG 4.44Å; R94-D96 VanDerWaalsContact C-N 3.29Å
95	D	84.7	Confident	91.3	Very high	166 Å²	166	53.3 Å²	53.3	89%	0.888	27%	0.267	S	S	*	.	S	Bend	trans	-76.5	-21.3	-177.2	-58.4	-35.1	0	0	0	112.1
96	D	83.4	Confident	91.3	Very high	77 Å²	77	56.3 Å²	56.3	41%	0.412	28%	0.28	S	S	.	.			trans	-129.7	78.9	173.8	-170.1	-8.6	0	0	0	109.3	R94 E98 S99	R94-D96 VanDerWaalsContact C-N 3.29Å; D96-E98 PolarHBondContact O-N 2.99Å; D96-S99 PolarHBondContact O-N 3.11Å; D96-S99 WeakPolarHBondContact OD1-CB 3.49Å; D96-S99 PolarHBondContact OD1-N 2.94Å; D96-S99 WeakPolarHBondContact OD2-CB 3.48Å
97	P	80.8	Confident	91.3	Very high	81 Å²	81	60.4 Å²	60.4	53%	0.526	31%	0.308	S	S	.	.	S	Bend	trans	-72.1	-15.3	-174.4	30	-35.6	0	0	0	113.3	W92	W92-P97 HydrophobicContact CH2-CB 4.34Å; W92-P97 HydrophobicContact CZ2-CB 3.86Å
98	E	83.3	Confident	91.3	Very high	184 Å²	184	63 Å²	63	86%	0.86	32%	0.322	S	S	*	.	S	Bend	trans	-87.2	-27.7	-179.4	-62.8	-170.9	163.4	0	0	111.7	D96	D96-E98 PolarHBondContact O-N 2.99Å
99	S	88.7	Confident	91.3	Very high	37 Å²	37	65.2 Å²	65.2	26%	0.259	33%	0.332	S	S	.	.			trans	-82.2	130.6	178	-171.2	0	0	0	0	112.9	D96 L101	D96-S99 PolarHBondContact O-N 3.11Å; D96-S99 WeakPolarHBondContact OD1-CB 3.49Å; D96-S99 PolarHBondContact OD1-N 2.94Å; D96-S99 WeakPolarHBondContact OD2-CB 3.48Å; S99-L101 WeakPolarHBondContact OG-CB 3.04Å; S99-L101 PolarHBondContact OG-N 3.13Å; S99-L101 VanDerWaalsContact OG-N 3.15Å
100	T	93.4	Very high	91.2	Very high	31 Å²	31	68.2 Å²	68.2	19%	0.19	36%	0.356	C	S	.	.			trans	-98.1	7.3	166.9	45	0	0	0	0	112.9	Y89 E295	Y89-T100 WeakPolarHBondContact OH-CA 3.4Å; Y89-T100 PolarHBondContact OH-O 2.97Å; T100-E295 PolarHBondContact O-N 3.04Å
101	L	95.1	Very high	91.1	Very high	48 Å²	48	67.2 Å²	67.2	25%	0.251	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	126.1	-173.3	-178.4	61.6	0	0	0	113	S99 Y115 L269 E295 L297	S99-L101 WeakPolarHBondContact OG-CB 3.04Å; S99-L101 PolarHBondContact OG-N 3.13Å; S99-L101 VanDerWaalsContact OG-N 3.15Å; L101-Y115 PolarHBondContact O-OH 2.84Å; L101-L269 HydrophobicContact CD1-CD1 3.47Å; L101-L269 VanDerWaalsContact CD1-CD1 3.47Å; L101-E295 HydrophobicContact CB-CB 4.47Å; L101-E295 HydrophobicContact CD1-CB 3.9Å; L101-L297 HydrophobicContact CD1-CB 4Å
102	I	96.1	Very high	91.1	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	101.2	165.1	-55.7	179.4	0	0	0	107.7	Y89 I104 Y115 F171 I178 F294 E295 L296 L297	Y89-I102 HydrophobicContact CD2-CD1 4.35Å; Y89-I102 HydrophobicContact CE2-CD1 4.09Å; Y89-I102 HydrophobicContact CE2-CG1 4.5Å; I102-I104 HydrophobicContact CG2-CD1 4.39Å; I102-I104 HydrophobicContact CG2-CG1 4.28Å; I102-Y115 HydrophobicContact CB-CE1 4.48Å; I102-Y115 HydrophobicContact CG1-CE1 4.36Å; I102-Y115 HydrophobicContact CG2-CD1 4.41Å; I102-Y115 HydrophobicContact CG2-CD2 4.36Å; I102-Y115 HydrophobicContact CG2-CE1 4.33Å; I102-Y115 HydrophobicContact CG2-CE2 4.37Å; I102-Y115 HydrophobicContact CG2-CG 4.42Å; I102-F171 HydrophobicContact CG2-CE1 3.66Å; I102-F171 HydrophobicContact CG2-CZ 4.23Å; I102-I178 HydrophobicContact CD1-CD1 3.51Å; I102-I178 HydrophobicContact CD1-CG1 4.29Å; I102-F294 HydrophobicContact CD1-CD2 4.13Å; I102-E295 PolarHBondContact N-O 3.41Å; I102-L296 HydrophobicContact CB-CD1 4.05Å; I102-L296 HydrophobicContact CG2-CD1 3.98Å; I102-L297 PolarHBondContact O-N 3.21Å
103	Y	95	Very high	91.3	Very high	62 Å²	62	67.3 Å²	67.3	24%	0.243	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.1	178.6	178	-113	0	0	0	111.3	N105 Y115 L297 D299	Y103-N105 HydrophobicContact CE1-CB 4.1Å; Y103-N105 PolarHBondContact OH-ND2 3.48Å; Y103-Y115 PolarHBondContact N-OH 2.82Å; Y103-Y115 VanDerWaalsContact N-OH 3.14Å; Y103-Y115 WeakPolarHBondContact O-CE2 3.46Å; Y103-L297 HydrophobicContact CD2-CB 4.14Å; Y103-L297 HydrophobicContact CD2-CD2 3.72Å; Y103-L297 HydrophobicContact CD2-CG 3.87Å; Y103-L297 HydrophobicContact CE2-CD2 3.85Å; Y103-L297 HydrophobicContact CE2-CG 4.07Å; Y103-D299 HydrophobicContact CE2-CB 4.33Å; Y103-D299 WeakPolarHBondContact CE2-OD2 2.88Å; Y103-D299 VanDerWaalsContact CZ-OD2 3.32Å; Y103-D299 PolarHBondContact OH-OD2 2.82Å
104	I	96	Very high	91.5	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.2	179.2	-53.5	179.2	0	0	0	108.1	I102 Y112 F171 P176 L296 L297 V298 D299	I102-I104 HydrophobicContact CG2-CD1 4.39Å; I102-I104 HydrophobicContact CG2-CG1 4.28Å; I104-Y112 HydrophobicContact CG2-CD1 4.09Å; I104-F171 HydrophobicContact CD1-CD1 3.47Å; I104-F171 VanDerWaalsContact CD1-CD1 3.47Å; I104-F171 HydrophobicContact CD1-CE1 3.78Å; I104-F171 HydrophobicContact CD1-CG 4.31Å; I104-F171 HydrophobicContact CG1-CD1 3.84Å; I104-F171 HydrophobicContact CG1-CE1 4.17Å; I104-P176 HydrophobicContact CD1-CB 3.63Å; I104-P176 HydrophobicContact CD1-CG 3.6Å; I104-L296 HydrophobicContact CD1-CD1 4.14Å; I104-L297 PolarHBondContact N-O 3.47Å; I104-V298 HydrophobicContact CB-CG2 4.43Å; I104-V298 HydrophobicContact CD1-CG2 4.33Å; I104-V298 CarbonylContact O-C 3.56Å; I104-V298 WeakPolarHBondContact O-CA 3.46Å; I104-D299 PolarHBondContact O-N 2.82Å
105	N	95.7	Very high	92	Very high	33 Å²	33	62.5 Å²	62.5	18%	0.176	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.7	166	-174.6	-56	0	0	0	107.8	Y103 S107 D108 S111 D299 P300	Y103-N105 HydrophobicContact CE1-CB 4.1Å; Y103-N105 PolarHBondContact OH-ND2 3.48Å; N105-S107 PolarHBondContact O-N 2.03Å; N105-S107 WeakPolarHBondContact OD1-CA 3.5Å; N105-S107 VanDerWaalsContact OD1-CB 3.3Å; N105-S107 WeakPolarHBondContact OD1-CB 3.4Å; N105-S107 PolarHBondContact OD1-N 2.84Å; N105-D108 HydrophobicContact CB-CB 4.3Å; N105-D108 CarbonylContact O-C 3.54Å; N105-D108 PolarHBondContact O-N 3.14Å; N105-D108 VanDerWaalsContact O-O 3.1Å; N105-D108 PolarHBondContact OD1-N 2.93Å; N105-S111 WeakPolarHBondContact CB-OG 3.03Å; N105-S111 PolarHBondContact N-OG 3.23Å; N105-S111 PolarHBondContact O-OG 3.41Å; N105-D299 HydrophobicContact CB-CB 4.49Å; N105-P300 PolarHBondContact OD1-O 2.84Å
106	K	92.2	Very high	92.6	Very high	64 Å²	64	54.6 Å²	54.6	28%	0.278	30%	0.297	S	S	.	.	S	Bend	trans	-66.4	-30.3	-176.5	-61.8	178.8	-161	-163.9	0	111.9	E266 V298 D299 P300	K106-E266 WeakPolarHBondContact CE-OE1 3.01Å; K106-E266 IonicContact NZ-OE1 3.47Å; K106-E266 PolarHBondContact NZ-OE1 2.83Å; K106-V298 VanDerWaalsContact CE-CG1 3.42Å; K106-V298 HydrophobicContact CG-CG1 4.42Å; K106-D299 WeakPolarHBondContact CG-O 3.36Å; K106-D299 PolarHBondContact N-O 3.42Å; K106-D299 VanDerWaalsContact N-O 3.13Å; K106-P300 WeakPolarHBondContact CB-OXT 3.3Å
107	S	93	Very high	93.2	Very high	95 Å²	95	54.4 Å²	54.4	66%	0.664	30%	0.295	S	S	*	.	S	Bend	trans	-76.3	-27.6	178.9	-64.8	0	0	0	0	113.5	N105 P109 P300	N105-S107 PolarHBondContact O-N 2.03Å; N105-S107 WeakPolarHBondContact OD1-CA 3.5Å; N105-S107 VanDerWaalsContact OD1-CB 3.3Å; N105-S107 WeakPolarHBondContact OD1-CB 3.4Å; N105-S107 PolarHBondContact OD1-N 2.84Å; S107-P109 WeakPolarHBondContact O-CD 3.43Å; S107-P300 PolarHBondContact OG-O 3.23Å; S107-P300 PolarHBondContact OG-OXT 2.84Å
108	D	95.1	Very high	93.8	Very high	71 Å²	71	52.3 Å²	52.3	38%	0.38	28%	0.279	S	S	.	.			trans	-115.2	101.8	179.9	178.9	17.8	0	0	0	112.8	N105 S110 S111	N105-D108 HydrophobicContact CB-CB 4.3Å; N105-D108 CarbonylContact O-C 3.54Å; N105-D108 PolarHBondContact O-N 3.14Å; N105-D108 VanDerWaalsContact O-O 3.1Å; N105-D108 PolarHBondContact OD1-N 2.93Å; D108-S110 PolarHBondContact O-N 3.49Å; D108-S110 VanDerWaalsContact O-N 3.1Å; D108-S110 VanDerWaalsContact OD1-CB 3.27Å; D108-S110 WeakPolarHBondContact OD1-CB 3.49Å; D108-S110 PolarHBondContact OD1-N 2.8Å; D108-S110 PolarHBondContact OD1-OG 3.09Å; D108-S110 PolarHBondContact OD2-OG 2.03Å; D108-S111 WeakPolarHBondContact O-CB 3.32Å; D108-S111 PolarHBondContact O-N 2.67Å; D108-S111 VanDerWaalsContact O-N 3.1Å; D108-S111 PolarHBondContact O-OG 3.4Å
109	P	93.6	Very high	94.5	Very high	68 Å²	68	43.5 Å²	43.5	44%	0.442	24%	0.238	S	C	.	.	H	α-helix	trans	-56.6	-25.8	175.8	-26.5	35.4	0	0	0	115.2	S107 S111 Y112 Q113	S107-P109 WeakPolarHBondContact O-CD 3.43Å; P109-S111 PolarHBondContact O-N 2.86Å; P109-Y112 HydrophobicContact CB-CE1 4.34Å; P109-Y112 PolarHBondContact O-N 2.92Å; P109-Q113 WeakPolarHBondContact O-CB 3.05Å; P109-Q113 PolarHBondContact O-N 2.86Å
110	S	93.9	Very high	94.8	Very high	82 Å²	82	45.3 Å²	45.3	57%	0.573	24%	0.239	S	C	*	.	H	α-helix	trans	-67	-27.3	-179.3	86.3	0	0	0	0	112.3	D108 Y112	D108-S110 PolarHBondContact O-N 3.49Å; D108-S110 VanDerWaalsContact O-N 3.1Å; D108-S110 VanDerWaalsContact OD1-CB 3.27Å; D108-S110 WeakPolarHBondContact OD1-CB 3.49Å; D108-S110 PolarHBondContact OD1-N 2.8Å; D108-S110 PolarHBondContact OD1-OG 3.09Å; D108-S110 PolarHBondContact OD2-OG 2.03Å; S110-Y112 PolarHBondContact O-N 2.67Å
111	S	93.5	Very high	94.9	Very high	13 Å²	13	50 Å²	50	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-45.8	179.3	68.7	0	0	0	0	112.4	N105 D108 P109 K114	N105-S111 WeakPolarHBondContact CB-OG 3.03Å; N105-S111 PolarHBondContact N-OG 3.23Å; N105-S111 PolarHBondContact O-OG 3.41Å; D108-S111 WeakPolarHBondContact O-CB 3.32Å; D108-S111 PolarHBondContact O-N 2.67Å; D108-S111 VanDerWaalsContact O-N 3.1Å; D108-S111 PolarHBondContact O-OG 3.4Å; P109-S111 PolarHBondContact O-N 2.86Å; S111-K114 WeakPolarHBondContact O-CE 3.32Å
112	Y	94.2	Very high	94.9	Very high	22 Å²	22	49.4 Å²	49.4	9%	0.086	25%	0.252	C	S	.	.	H	α-helix	trans	-99.9	-14.4	-173.8	61.2	-103.9	0	0	0	114.8	I104 P109 S110 K114 Y115 V116 F171	I104-Y112 HydrophobicContact CG2-CD1 4.09Å; P109-Y112 HydrophobicContact CB-CE1 4.34Å; P109-Y112 PolarHBondContact O-N 2.92Å; S110-Y112 PolarHBondContact O-N 2.67Å; Y112-K114 PolarHBondContact O-N 3.33Å; Y112-K114 VanDerWaalsContact O-N 3.15Å; Y112-Y115 WeakPolarHBondContact O-CB 2.92Å; Y112-Y115 PolarHBondContact O-N 3.38Å; Y112-V116 HydrophobicContact CD2-CG2 3.88Å; Y112-V116 PolarHBondContact O-N 2.94Å; Y112-V116 VanDerWaalsContact O-N 3.15Å; Y112-F171 HydrophobicContact CD2-CB 3.78Å; Y112-F171 HydrophobicContact CE2-CB 4.47Å; Y112-F171 HydrophobicContact CG-CB 3.97Å
113	Q	95	Very high	94.8	Very high	70 Å²	70	49.6 Å²	49.6	33%	0.327	25%	0.253	S	S	.	.	H	α-helix	trans	-53.6	-39.1	-177.5	-177	65	33.4	0	0	112.7	P109 Y115 V116 D117	P109-Q113 WeakPolarHBondContact O-CB 3.05Å; P109-Q113 PolarHBondContact O-N 2.86Å; Q113-Y115 VanDerWaalsContact C-N 3.3Å; Q113-Y115 PolarHBondContact O-N 2.92Å; Q113-V116 PolarHBondContact O-N 3.09Å; Q113-D117 PolarHBondContact NE2-OD1 3.18Å; Q113-D117 PolarHBondContact NE2-OD2 3.36Å; Q113-D117 VanDerWaalsContact NE2-OD2 3.09Å; Q113-D117 PolarHBondContact O-N 2.91Å
114	K	94.5	Very high	94.8	Very high	102 Å²	102	49.7 Å²	49.7	44%	0.443	26%	0.262	S	S	.	.	H	α-helix	trans	-58.4	-38.5	176.9	63	-174.6	-177.9	170.9	0	113.1	L93 S111 Y112 Q118	L93-K114 HydrophobicContact CD1-CD 3.67Å; L93-K114 HydrophobicContact CD1-CG 4.07Å; L93-K114 HydrophobicContact CD2-CB 4.44Å; L93-K114 HydrophobicContact CD2-CG 4.44Å; S111-K114 WeakPolarHBondContact O-CE 3.32Å; Y112-K114 PolarHBondContact O-N 3.33Å; Y112-K114 VanDerWaalsContact O-N 3.15Å; K114-Q118 WeakPolarHBondContact O-CB 3.35Å; K114-Q118 PolarHBondContact O-N 3.12Å; K114-Q118 VanDerWaalsContact O-N 3.12Å
115	Y	95.4	Very high	94.6	Very high	7 Å²	7	53.9 Å²	53.9	3%	0.027	28%	0.281	C	S	.	.	H	α-helix	trans	-72.9	-41.4	178.2	-61.5	-66.8	0	0	0	111	P91 L93 L101 I102 Y103 Y112 Q113 D117 Q118 L119 F171	P91-Y115 HydrophobicContact CB-CD1 4.05Å; P91-Y115 HydrophobicContact CG-CD1 3.83Å; P91-Y115 HydrophobicContact CG-CG 4.08Å; L93-Y115 HydrophobicContact CD1-CD1 4.03Å; L93-Y115 HydrophobicContact CD1-CE1 3.47Å; L93-Y115 VanDerWaalsContact CD1-CE1 3.47Å; L93-Y115 HydrophobicContact CD2-CD1 4.03Å; L93-Y115 HydrophobicContact CD2-CE1 4.31Å; L93-Y115 HydrophobicContact CG-CD1 3.97Å; L93-Y115 HydrophobicContact CG-CE1 3.75Å; L101-Y115 PolarHBondContact O-OH 2.84Å; I102-Y115 HydrophobicContact CB-CE1 4.48Å; I102-Y115 HydrophobicContact CG1-CE1 4.36Å; I102-Y115 HydrophobicContact CG2-CD1 4.41Å; I102-Y115 HydrophobicContact CG2-CD2 4.36Å; I102-Y115 HydrophobicContact CG2-CE1 4.33Å; I102-Y115 HydrophobicContact CG2-CE2 4.37Å; I102-Y115 HydrophobicContact CG2-CG 4.42Å; Y103-Y115 PolarHBondContact N-OH 2.82Å; Y103-Y115 VanDerWaalsContact N-OH 3.14Å; Y103-Y115 WeakPolarHBondContact O-CE2 3.46Å; Y112-Y115 WeakPolarHBondContact O-CB 2.92Å; Y112-Y115 PolarHBondContact O-N 3.38Å; Q113-Y115 VanDerWaalsContact C-N 3.3Å; Q113-Y115 PolarHBondContact O-N 2.92Å; Y115-D117 PolarHBondContact O-N 3.31Å; Y115-Q118 PolarHBondContact O-N 3.06Å; Y115-L119 PolarHBondContact O-N 3.36Å; Y115-F171 HydrophobicContact CD2-CE1 4.18Å; Y115-F171 HydrophobicContact CG-CE1 4.06Å
116	V	96.3	Very high	94.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-43.8	176.3	-180	0	0	0	0	110.9	Y112 Q113 L119 R120 F169 F171	Y112-V116 HydrophobicContact CD2-CG2 3.88Å; Y112-V116 PolarHBondContact O-N 2.94Å; Y112-V116 VanDerWaalsContact O-N 3.15Å; Q113-V116 PolarHBondContact O-N 3.09Å; V116-L119 PolarHBondContact O-N 3.04Å; V116-R120 WeakPolarHBondContact O-CG 3.15Å; V116-R120 PolarHBondContact O-N 3.01Å; V116-F169 HydrophobicContact CG1-CD2 4.01Å; V116-F169 HydrophobicContact CG1-CE2 4.09Å; V116-F171 HydrophobicContact CG2-CB 3.95Å; V116-F171 HydrophobicContact CG2-CD2 4.31Å; V116-F171 HydrophobicContact CG2-CG 4.12Å
117	D	95.6	Very high	94.6	Very high	72 Å²	72	55.7 Å²	55.7	39%	0.385	29%	0.287	S	S	.	.	H	α-helix	trans	-66.8	-38.2	178.4	-71.5	-26.9	0	0	0	112.3	Q113 Y115 L119 R120 K121	Q113-D117 PolarHBondContact NE2-OD1 3.18Å; Q113-D117 PolarHBondContact NE2-OD2 3.36Å; Q113-D117 VanDerWaalsContact NE2-OD2 3.09Å; Q113-D117 PolarHBondContact O-N 2.91Å; Y115-D117 PolarHBondContact O-N 3.31Å; D117-L119 VanDerWaalsContact C-N 3.35Å; D117-R120 PolarHBondContact O-N 2.9Å; D117-R120 IonicContact OD1-CZ 3.4Å; D117-R120 IonicContact OD1-NH1 2.55Å; D117-R120 PolarHBondContact OD1-NH1 3.44Å; D117-K121 WeakPolarHBondContact O-CB 3.47Å; D117-K121 PolarHBondContact O-N 3.46Å
118	Q	95.2	Very high	94.5	Very high	37 Å²	37	54.5 Å²	54.5	17%	0.173	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-41.3	172.1	178.4	59.6	17.9	0	0	111.8	P91 W92 L93 K114 Y115 K121 F122	P91-Q118 HydrophobicContact CB-CB 4.12Å; P91-Q118 HydrophobicContact CB-CG 3.97Å; W92-Q118 PolarHBondContact O-NE2 3.22Å; L93-Q118 HydrophobicContact CD2-CB 4.28Å; K114-Q118 WeakPolarHBondContact O-CB 3.35Å; K114-Q118 PolarHBondContact O-N 3.12Å; K114-Q118 VanDerWaalsContact O-N 3.12Å; Y115-Q118 PolarHBondContact O-N 3.06Å; Q118-K121 WeakPolarHBondContact O-CB 3.49Å; Q118-K121 PolarHBondContact O-N 2.97Å; Q118-F122 PolarHBondContact O-N 3.41Å
119	L	96.3	Very high	94.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.9	-42.7	174.5	-75.8	173.1	0	0	0	112.3	Q90 P91 Y115 V116 D117 K121 F122 Y123 F169 F171 V179	Q90-L119 HydrophobicContact CB-CD2 3.95Å; P91-L119 HydrophobicContact CB-CD2 4.38Å; P91-L119 HydrophobicContact CB-CG 3.99Å; P91-L119 HydrophobicContact CG-CD1 4.06Å; P91-L119 HydrophobicContact CG-CD2 4.49Å; P91-L119 HydrophobicContact CG-CG 4.01Å; Y115-L119 PolarHBondContact O-N 3.36Å; V116-L119 PolarHBondContact O-N 3.04Å; D117-L119 VanDerWaalsContact C-N 3.35Å; L119-K121 VanDerWaalsContact C-N 3.26Å; L119-K121 PolarHBondContact O-N 2.78Å; L119-F122 WeakPolarHBondContact O-CA 2.87Å; L119-F122 WeakPolarHBondContact O-CB 3.39Å; L119-F122 PolarHBondContact O-N 3.36Å; L119-F122 VanDerWaalsContact O-N 3.09Å; L119-Y123 WeakPolarHBondContact O-CD2 3.37Å; L119-Y123 PolarHBondContact O-N 3.11Å; L119-F169 HydrophobicContact CB-CD1 4.34Å; L119-F169 HydrophobicContact CB-CD2 3.66Å; L119-F169 HydrophobicContact CB-CE1 4.12Å; L119-F169 HydrophobicContact CB-CE2 3.38Å; L119-F169 HydrophobicContact CB-CG 4.13Å; L119-F169 HydrophobicContact CB-CZ 3.62Å; L119-F169 HydrophobicContact CD1-CB 3.68Å; L119-F169 HydrophobicContact CD1-CD1 4.11Å; L119-F169 HydrophobicContact CD1-CD2 3.65Å; L119-F169 HydrophobicContact CD1-CE2 4.28Å; L119-F169 HydrophobicContact CD1-CG 3.55Å; L119-F169 HydrophobicContact CG-CD2 4.31Å; L119-F169 HydrophobicContact CG-CE2 4.47Å; L119-F169 HydrophobicContact CG-CG 4.45Å; L119-F171 HydrophobicContact CD1-CD2 4.43Å; L119-F171 HydrophobicContact CD1-CE2 3.63Å; L119-F171 HydrophobicContact CD1-CZ 4.3Å; L119-V179 HydrophobicContact CD2-CG2 3.83Å
120	R	95.9	Very high	94.1	Very high	75 Å²	75	57.8 Å²	57.8	28%	0.283	29%	0.286	S	S	.	.	H	α-helix	trans	-57	-42.5	173.3	-72.4	175.7	-176.2	131.1	2.5	111.4	V116 D117 Y123 S124 F169	V116-R120 WeakPolarHBondContact O-CG 3.15Å; V116-R120 PolarHBondContact O-N 3.01Å; D117-R120 PolarHBondContact O-N 2.9Å; D117-R120 IonicContact OD1-CZ 3.4Å; D117-R120 IonicContact OD1-NH1 2.55Å; D117-R120 PolarHBondContact OD1-NH1 3.44Å; R120-Y123 PolarHBondContact O-N 3.48Å; R120-S124 PolarHBondContact O-N 3.41Å; R120-F169 HydrophobicContact CG-CE2 4Å; R120-F169 HydrophobicContact CG-CZ 4.32Å
121	K	95.4	Very high	93.8	Very high	130 Å²	130	58.1 Å²	58.1	57%	0.565	28%	0.282	S	S	*	.	H	α-helix	trans	-63.5	-43	174.9	-174.3	177.1	-177.7	173.6	0	111.7	D117 Q118 L119 S124	D117-K121 WeakPolarHBondContact O-CB 3.47Å; D117-K121 PolarHBondContact O-N 3.46Å; Q118-K121 WeakPolarHBondContact O-CB 3.49Å; Q118-K121 PolarHBondContact O-N 2.97Å; L119-K121 VanDerWaalsContact C-N 3.26Å; L119-K121 PolarHBondContact O-N 2.78Å; K121-S124 WeakPolarHBondContact O-CB 3.39Å; K121-S124 PolarHBondContact O-N 2.88Å; K121-S124 PolarHBondContact O-OG 2.79Å
122	F	95.1	Very high	93.7	Very high	35 Å²	35	58.6 Å²	58.6	15%	0.154	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-47.2	173.4	178.3	-94.4	0	0	0	111.6	Q90 Q118 L119 S124 K125 Y126 V179 T181 F256	Q90-F122 HydrophobicContact CG-CD2 3.79Å; Q90-F122 HydrophobicContact CG-CE2 4.04Å; Q90-F122 HydrophobicContact CG-CG 4.3Å; Q118-F122 PolarHBondContact O-N 3.41Å; L119-F122 WeakPolarHBondContact O-CA 2.87Å; L119-F122 WeakPolarHBondContact O-CB 3.39Å; L119-F122 PolarHBondContact O-N 3.36Å; L119-F122 VanDerWaalsContact O-N 3.09Å; F122-S124 VanDerWaalsContact C-N 3.31Å; F122-S124 PolarHBondContact O-N 3.47Å; F122-K125 PolarHBondContact O-N 2.86Å; F122-Y126 HydrophobicContact CD1-CE2 4.07Å; F122-Y126 AromaticContact CE1-CE2 3.61Å; F122-Y126 HydrophobicContact CE1-CE2 3.61Å; F122-Y126 HydrophobicContact CE2-CE2 4.37Å; F122-Y126 AromaticContact CZ-CE2 3.78Å; F122-Y126 HydrophobicContact CZ-CE2 3.78Å; F122-Y126 WeakPolarHBondContact CZ-OH 3.21Å; F122-Y126 WeakPolarHBondContact O-CD2 3.43Å; F122-V179 HydrophobicContact CE1-CG1 3.82Å; F122-V179 HydrophobicContact CZ-CG1 3.94Å; F122-T181 HydrophobicContact CE2-CG2 4.38Å; F122-T181 HydrophobicContact CZ-CG2 4.04Å; F122-F256 AromaticContact CE1-CD1 3.89Å; F122-F256 HydrophobicContact CE1-CD1 3.89Å; F122-F256 AromaticContact CE1-CE1 3.88Å; F122-F256 HydrophobicContact CE1-CE1 3.88Å; F122-F256 HydrophobicContact CE1-CG 4.31Å; F122-F256 HydrophobicContact CE1-CZ 4.28Å; F122-F256 HydrophobicContact CZ-CD1 4.11Å; F122-F256 HydrophobicContact CZ-CE1 4.5Å
123	Y	94.5	Very high	93.6	Very high	4 Å²	4	60 Å²	60	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-31.8	-179.7	-85.1	-127.9	0	0	0	112.4	L119 R120 K125 Y126 F155 E165 F169 V179 F256	L119-Y123 WeakPolarHBondContact O-CD2 3.37Å; L119-Y123 PolarHBondContact O-N 3.11Å; R120-Y123 PolarHBondContact O-N 3.48Å; Y123-K125 PolarHBondContact O-N 2.93Å; Y123-K125 VanDerWaalsContact O-N 3.1Å; Y123-Y126 WeakPolarHBondContact O-CB 3.5Å; Y123-Y126 PolarHBondContact O-N 2.85Å; Y123-F155 HydrophobicContact CD1-CD1 4.21Å; Y123-F155 AromaticContact CD1-CE1 3.49Å; Y123-F155 HydrophobicContact CD1-CE1 3.49Å; Y123-F155 VanDerWaalsContact CD1-CE1 3.49Å; Y123-F155 HydrophobicContact CD1-CZ 4.41Å; Y123-F155 AromaticContact CE1-CD1 3.94Å; Y123-F155 HydrophobicContact CE1-CD1 3.94Å; Y123-F155 AromaticContact CE1-CE1 3.48Å; Y123-F155 HydrophobicContact CE1-CE1 3.48Å; Y123-F155 VanDerWaalsContact CE1-CE1 3.48Å; Y123-F155 HydrophobicContact CG-CE1 4.37Å; Y123-E165 HydrophobicContact CD1-CG 4.2Å; Y123-F169 AromaticContact CD1-CE1 3.96Å; Y123-F169 HydrophobicContact CD1-CE1 3.96Å; Y123-F169 HydrophobicContact CD1-CZ 4.4Å; Y123-F169 AromaticContact CD2-CE1 3.91Å; Y123-F169 HydrophobicContact CD2-CE1 3.91Å; Y123-F169 HydrophobicContact CD2-CZ 4.18Å; Y123-F169 AromaticContact CE1-CE1 3.68Å; Y123-F169 HydrophobicContact CE1-CE1 3.68Å; Y123-F169 HydrophobicContact CE2-CD1 4.36Å; Y123-F169 AromaticContact CE2-CE1 3.65Å; Y123-F169 HydrophobicContact CE2-CE1 3.65Å; Y123-F169 HydrophobicContact CE2-CZ 4.35Å; Y123-F169 HydrophobicContact CG-CE1 4.11Å; Y123-F169 HydrophobicContact CG-CZ 4.26Å; Y123-F169 AromaticContact CZ-CE1 3.55Å; Y123-V179 HydrophobicContact CE2-CG2 4.18Å; Y123-F256 HydrophobicContact CE2-CZ 4.33Å
124	S	94.2	Very high	93.4	Very high	64 Å²	64	61.3 Å²	61.3	45%	0.448	30%	0.296	S	S	.	.	H	α-helix	trans	-54.2	-33.7	-179.4	75.9	0	0	0	0	113.5	R120 K121 F122 Y126 K127	R120-S124 PolarHBondContact O-N 3.41Å; K121-S124 WeakPolarHBondContact O-CB 3.39Å; K121-S124 PolarHBondContact O-N 2.88Å; K121-S124 PolarHBondContact O-OG 2.79Å; F122-S124 VanDerWaalsContact C-N 3.31Å; F122-S124 PolarHBondContact O-N 3.47Å; S124-Y126 PolarHBondContact O-N 2.84Å; S124-K127 WeakPolarHBondContact O-CB 3.32Å; S124-K127 PolarHBondContact O-N 3.07Å
125	K	92.8	Very high	93.1	Very high	88 Å²	88	56.5 Å²	56.5	38%	0.383	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-60	-36.1	177.2	-178.6	-179.9	175.4	-177	0	112.5	F122 Y123 K127	F122-K125 PolarHBondContact O-N 2.86Å; Y123-K125 PolarHBondContact O-N 2.93Å; Y123-K125 VanDerWaalsContact O-N 3.1Å; K125-K127 VanDerWaalsContact C-N 3.31Å
126	Y	93.9	Very high	92.6	Very high	5 Å²	5	62.1 Å²	62.1	2%	0.02	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-84.9	-7	-174.6	-62.3	-93.5	0	0	0	113.1	F122 Y123 S124 N128 F152 F155 H253 Q254 F256	F122-Y126 HydrophobicContact CD1-CE2 4.07Å; F122-Y126 AromaticContact CE1-CE2 3.61Å; F122-Y126 HydrophobicContact CE1-CE2 3.61Å; F122-Y126 HydrophobicContact CE2-CE2 4.37Å; F122-Y126 AromaticContact CZ-CE2 3.78Å; F122-Y126 HydrophobicContact CZ-CE2 3.78Å; F122-Y126 WeakPolarHBondContact CZ-OH 3.21Å; F122-Y126 WeakPolarHBondContact O-CD2 3.43Å; Y123-Y126 WeakPolarHBondContact O-CB 3.5Å; Y123-Y126 PolarHBondContact O-N 2.85Å; S124-Y126 PolarHBondContact O-N 2.84Å; Y126-N128 VanDerWaalsContact C-N 3.29Å; Y126-F152 HydrophobicContact CD1-CB 3.75Å; Y126-F152 HydrophobicContact CD1-CD1 4.37Å; Y126-F152 HydrophobicContact CD1-CG 4.15Å; Y126-F152 HydrophobicContact CE1-CB 4.16Å; Y126-F152 HydrophobicContact CE1-CG 4.33Å; Y126-F155 HydrophobicContact CG-CZ 4.1Å; Y126-H253 HydrophobicContact CD1-CB 3.93Å; Y126-H253 AromaticContact CD1-CG 3.83Å; Y126-H253 AromaticContact CD1-ND1 3.75Å; Y126-H253 HydrophobicContact CE1-CB 3.95Å; Y126-H253 PolarHBondContact O-CE1 3.02Å; Y126-Q254 VanDerWaalsContact CE1-O 3.22Å; Y126-Q254 WeakPolarHBondContact CE1-O 3.24Å; Y126-Q254 PolarHBondContact OH-O 2.87Å; Y126-F256 HydrophobicContact CD1-CE1 4.26Å; Y126-F256 HydrophobicContact CD2-CE1 4.37Å; Y126-F256 HydrophobicContact CE1-CD1 4.07Å; Y126-F256 AromaticContact CE1-CE1 3.83Å; Y126-F256 HydrophobicContact CE1-CE1 3.83Å; Y126-F256 HydrophobicContact CE2-CD1 4.4Å; Y126-F256 AromaticContact CE2-CE1 3.98Å; Y126-F256 HydrophobicContact CE2-CE1 3.98Å; Y126-F256 AromaticContact CZ-CD1 3.79Å; Y126-F256 AromaticContact CZ-CE1 3.68Å
127	K	92.4	Very high	91.7	Very high	129 Å²	129	63.3 Å²	63.3	56%	0.561	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-74.1	-21.8	173.9	-61	-177.4	-178.5	178.4	0	111.9	S124 K125 L129 E165	S124-K127 WeakPolarHBondContact O-CB 3.32Å; S124-K127 PolarHBondContact O-N 3.07Å; K125-K127 VanDerWaalsContact C-N 3.31Å; K127-L129 PolarHBondContact O-N 2.94Å; K127-E165 WeakPolarHBondContact CE-OE1 3.21Å; K127-E165 VanDerWaalsContact NZ-CD 3.32Å; K127-E165 IonicContact NZ-OE1 2.67Å; K127-E165 PolarHBondContact NZ-OE1 2.9Å; K127-E165 IonicContact NZ-OE2 2.67Å; K127-E165 PolarHBondContact NZ-OE2 3.26Å
128	N	91.4	Very high	90.7	Very high	71 Å²	71	64.8 Å²	64.8	38%	0.38	33%	0.331	S	S	.	.			trans	-83.7	109.2	176.5	-178.3	12.9	0	0	0	110.7	Y126 N130 N251 H253	Y126-N128 VanDerWaalsContact C-N 3.29Å; N128-N130 VanDerWaalsContact OD1-CB 3.25Å; N128-N130 WeakPolarHBondContact OD1-CB 3.13Å; N128-N130 VanDerWaalsContact OD1-CG 3.31Å; N128-N130 PolarHBondContact OD1-N 2.84Å; N128-N130 PolarHBondContact OD1-ND2 3.47Å; N128-N251 PolarHBondContact O-ND2 2.92Å; N128-H253 PolarHBondContact O-CE1 2.7Å; N128-H253 PolarHBondContact O-NE2 3.29Å
129	L	90.8	Very high	89.9	Confident	91 Å²	91	71 Å²	71	48%	0.476	36%	0.36	S	S	.	.			trans	-95.3	3.5	178.2	-59	179	0	0	0	113.6	K127 T132 A151	K127-L129 PolarHBondContact O-N 2.94Å; L129-T132 VanDerWaalsContact C-OG1 3.32Å; L129-T132 WeakPolarHBondContact CA-OG1 3.46Å; L129-T132 PolarHBondContact O-N 3.04Å; L129-T132 PolarHBondContact O-OG1 3.2Å; L129-A151 HydrophobicContact CD2-CB 4.18Å
130	N	90.5	Very high	89.2	Confident	116 Å²	116	74.1 Å²	74.1	62%	0.62	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	143.2	176.3	-61.7	-17.3	0	0	0	110.2	N128 T132 N251	N128-N130 VanDerWaalsContact OD1-CB 3.25Å; N128-N130 WeakPolarHBondContact OD1-CB 3.13Å; N128-N130 VanDerWaalsContact OD1-CG 3.31Å; N128-N130 PolarHBondContact OD1-N 2.84Å; N128-N130 PolarHBondContact OD1-ND2 3.47Å; N130-T132 PolarHBondContact O-N 3.24Å; N130-N251 WeakPolarHBondContact O-CB 3.14Å; N130-N251 PolarHBondContact O-ND2 2.79Å
131	D	87.8	Confident	88.8	Confident	89 Å²	89	72 Å²	72	48%	0.476	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	30.2	-174.8	-57.1	-36.4	0	0	0	113.8	I148 K250 N251	D131-I148 WeakPolarHBondContact O-CG2 3.26Å; D131-K250 HydrophobicContact CB-CB 4.08Å; D131-N251 HydrophobicContact CB-CB 4.19Å
132	T	90.7	Very high	88.5	Confident	24 Å²	24	65.9 Å²	65.9	15%	0.147	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	156.5	171.3	71.3	0	0	0	0	111.4	L129 N130 I148 A149 N251	L129-T132 VanDerWaalsContact C-OG1 3.32Å; L129-T132 WeakPolarHBondContact CA-OG1 3.46Å; L129-T132 PolarHBondContact O-N 3.04Å; L129-T132 PolarHBondContact O-OG1 3.2Å; N130-T132 PolarHBondContact O-N 3.24Å; T132-I148 VanDerWaalsContact C-CG2 3.46Å; T132-A149 CarbonylContact C-O 3.57Å; T132-A149 VanDerWaalsContact CA-O 3.29Å; T132-A149 WeakPolarHBondContact CA-O 3.39Å; T132-N251 HydrophobicContact CG2-CB 4.29Å; T132-N251 WeakPolarHBondContact CG2-ND2 3.41Å
133	R	91.2	Very high	87.9	Confident	51 Å²	51	66 Å²	66	19%	0.192	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151	176.3	69.3	-167.6	-174.3	117.8	-2.5	110.8	N141 Q144 I148 A149 C150 A151	R133-N141 PolarHBondContact NH2-O 3.38Å; R133-Q144 VanDerWaalsContact CZ-OE1 3.24Å; R133-I148 HydrophobicContact CB-CG2 3.89Å; R133-I148 HydrophobicContact CG-CG2 4.08Å; R133-A149 PolarHBondContact N-O 3.1Å; R133-C150 CarbonylContact O-C 3.52Å; R133-C150 WeakPolarHBondContact O-CA 3.2Å; R133-A151 PolarHBondContact O-N 3.25Å
134	Q	90.4	Very high	87.2	Confident	98 Å²	98	69.1 Å²	69.1	46%	0.458	36%	0.362	S	S	.	.			trans	-76.7	133.4	173	-62.4	-61.2	-25.4	0	0	109.4
135	C	89.2	Confident	86.3	Confident	1 Å²	1	74 Å²	74	1%	0.007	38%	0.383	C	S	.	.			trans	-121.5	90.8	179.2	-64.8	0	0	0	0	108.6	E140 C150 K242	C135-E140 VanDerWaalsContact CA-OE2 3.25Å; C135-E140 WeakPolarHBondContact CA-OE2 3.44Å; C135-E140 HydrophobicContact CB-CB 4.08Å; C135-C150 HydrophobicContact CB-CB 3.7Å; C135-C150 WeakPolarHBondContact CB-SG 3.4Å; C135-C150 WeakPolarHBondContact SG-CA 3.44Å; C135-C150 WeakPolarHBondContact SG-CB 3.33Å; C135-C150 CovalentContact SG-SG 2.03Å; C135-C150 PolarHBondContact SG-SG 2.62Å; C135-K242 HydrophobicContact CB-CD 4.43Å; C135-K242 PolarHBondContact O-NZ 3.27Å
136	N	84.2	Confident	85.7	Confident	125 Å²	125	72.3 Å²	72.3	67%	0.668	38%	0.38	S	S	*	.			trans	-104	-24.3	-174.3	-65.1	-23.3	0	0	0	112.1	E140	N136-E140 PolarHBondContact N-OE2 2.82Å
137	G	78.5	Confident	85.1	Confident	24 Å²	24	77.4 Å²	77.4	25%	0.247	41%	0.408	C	S	.	.	S	Bend	trans	-77.2	152.3	-179.2	0	0	0	0	0	113.4	E139 E140	G137-E139 PolarHBondContact O-N 2.96Å; G137-E140 PolarHBondContact N-OE2 3.33Å; G137-E140 PolarHBondContact O-N 2.92Å; G137-E140 VanDerWaalsContact O-N 3.15Å
138	P	74	Confident	84.9	Confident	103 Å²	103	74.7 Å²	74.7	67%	0.669	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.3	176.6	26.9	-34.1	0	0	0	112.9
139	E	78.5	Confident	85	Confident	167 Å²	167	71.3 Å²	71.3	78%	0.78	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-7.9	176.7	-59.6	-171.9	170.2	0	0	112.9	G137 N141	G137-E139 PolarHBondContact O-N 2.96Å; E139-N141 PolarHBondContact O-N 3.36Å
140	E	82.4	Confident	85.1	Confident	67 Å²	67	67 Å²	67	31%	0.313	36%	0.358	S	S	.	.			trans	-80.5	110	-178.5	-67.3	-178.6	168.5	0	0	110.3	C135 N136 G137 K242	C135-E140 VanDerWaalsContact CA-OE2 3.25Å; C135-E140 WeakPolarHBondContact CA-OE2 3.44Å; C135-E140 HydrophobicContact CB-CB 4.08Å; N136-E140 PolarHBondContact N-OE2 2.82Å; G137-E140 PolarHBondContact N-OE2 3.33Å; G137-E140 PolarHBondContact O-N 2.92Å; G137-E140 VanDerWaalsContact O-N 3.15Å; E140-K242 VanDerWaalsContact O-CB 3.29Å; E140-K242 WeakPolarHBondContact O-CB 3.43Å
141	N	87.3	Confident	85.3	Confident	31 Å²	31	61.5 Å²	61.5	17%	0.166	33%	0.329	C	S	.	.	S	Bend	trans	-145.8	170.9	175.9	61.7	48.8	0	0	0	110.9	R133 E139 S143 Q144 K242	R133-N141 PolarHBondContact NH2-O 3.38Å; E139-N141 PolarHBondContact O-N 3.36Å; N141-S143 PolarHBondContact O-N 2.93Å; N141-S143 VanDerWaalsContact OD1-CA 3.3Å; N141-S143 WeakPolarHBondContact OD1-CA 3.14Å; N141-S143 WeakPolarHBondContact OD1-CB 3.22Å; N141-S143 PolarHBondContact OD1-N 3.32Å; N141-S143 PolarHBondContact OD1-OG 3.47Å; N141-Q144 PolarHBondContact O-N 3.1Å; N141-K242 VanDerWaalsContact CA-O 3.25Å; N141-K242 WeakPolarHBondContact CA-O 3.44Å; N141-K242 HydrophobicContact CB-CB 4.32Å; N141-K242 WeakPolarHBondContact CB-O 3.28Å
142	N	88.8	Confident	85.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	4.2	178.1	-72.3	-29.1	0	0	0	114	Q144 A149 C150 K242 F243 F244 P245 K247 M249	N142-Q144 VanDerWaalsContact C-N 3.3Å; N142-A149 WeakPolarHBondContact OD1-CA 3.07Å; N142-C150 PolarHBondContact OD1-N 3.07Å; N142-C150 PolarHBondContact OD1-SG 3.46Å; N142-K242 PolarHBondContact N-O 3.46Å; N142-F243 VanDerWaalsContact ND2-C 3.26Å; N142-F243 PolarHBondContact ND2-O 3.07Å; N142-F244 PolarHBondContact N-O 2.98Å; N142-P245 VanDerWaalsContact CB-O 3.31Å; N142-P245 WeakPolarHBondContact CB-O 3.44Å; N142-K247 WeakPolarHBondContact O-CE 3.18Å; N142-K247 PolarHBondContact O-NZ 2.73Å; N142-M249 HydrophobicContact CB-CE 3.87Å; N142-M249 HydrophobicContact CB-SD 4.39Å
143	S	82.7	Confident	85.6	Confident	37 Å²	37	58.9 Å²	58.9	26%	0.259	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-21.1	173.6	-46.8	0	0	0	0	112.4	N141 K189 P245 K247	N141-S143 PolarHBondContact O-N 2.93Å; N141-S143 VanDerWaalsContact OD1-CA 3.3Å; N141-S143 WeakPolarHBondContact OD1-CA 3.14Å; N141-S143 WeakPolarHBondContact OD1-CB 3.22Å; N141-S143 PolarHBondContact OD1-N 3.32Å; N141-S143 PolarHBondContact OD1-OG 3.47Å; S143-K189 VanDerWaalsContact CB-NZ 3.34Å; S143-K189 WeakPolarHBondContact OG-CE 3.37Å; S143-K189 PolarHBondContact OG-NZ 3.07Å; S143-P245 WeakPolarHBondContact OG-CD 3.4Å; S143-K247 PolarHBondContact O-NZ 3.43Å
144	Q	80.1	Confident	85.7	Confident	70 Å²	70	58 Å²	58	33%	0.327	31%	0.312	S	S	.	.	S	Bend	trans	-58.2	153	176.8	-63.3	178.9	-0.2	0	0	111	R133 N141 N142 T146 K247	R133-Q144 VanDerWaalsContact CZ-OE1 3.24Å; N141-Q144 PolarHBondContact O-N 3.1Å; N142-Q144 VanDerWaalsContact C-N 3.3Å; Q144-T146 PolarHBondContact O-N 3.48Å; Q144-K247 PolarHBondContact O-NZ 3.46Å
145	D	74.4	Confident	85.8	Confident	168 Å²	168	55.3 Å²	55.3	90%	0.898	30%	0.298	S	S	*	.	S	Bend	trans	-81	64.6	-175.8	-162.8	23.4	0	0	0	110.8
146	T	79.8	Confident	85.9	Confident	51 Å²	51	58 Å²	58	31%	0.313	32%	0.321	S	S	.	.			trans	-132.5	137.8	-179.8	61.8	0	0	0	0	109.4	Q144 I148	Q144-T146 PolarHBondContact O-N 3.48Å; T146-I148 PolarHBondContact O-N 3.16Å; T146-I148 PolarHBondContact OG1-O 3.06Å
147	D	82.9	Confident	86.3	Confident	113 Å²	113	53.8 Å²	53.8	60%	0.604	30%	0.303	S	S	*	.	S	Bend	trans	-74.2	-1.8	173.4	-84	-43.9	0	0	0	113.5	K70 M249	K70-D147 IonicContact NZ-OD1 3.19Å; K70-D147 PolarHBondContact NZ-OD1 3.43Å; D147-M249 WeakPolarHBondContact O-CB 3.41Å
148	I	87.9	Confident	87.1	Confident	71 Å²	71	52.7 Å²	52.7	36%	0.364	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-104.7	130.3	-174.9	-62.6	176.7	0	0	0	110	D131 T132 R133 T146	D131-I148 WeakPolarHBondContact O-CG2 3.26Å; T132-I148 VanDerWaalsContact C-CG2 3.46Å; R133-I148 HydrophobicContact CB-CG2 3.89Å; R133-I148 HydrophobicContact CG-CG2 4.08Å; T146-I148 PolarHBondContact O-N 3.16Å; T146-I148 PolarHBondContact OG1-O 3.06Å
149	A	92.3	Very high	88.1	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	155.1	-179.4	0	0	0	0	0	113.2	T132 R133 N142 A151 M249 Y252	T132-A149 CarbonylContact C-O 3.57Å; T132-A149 VanDerWaalsContact CA-O 3.29Å; T132-A149 WeakPolarHBondContact CA-O 3.39Å; R133-A149 PolarHBondContact N-O 3.1Å; N142-A149 WeakPolarHBondContact OD1-CA 3.07Å; A149-A151 PolarHBondContact O-N 3.39Å; A149-M249 HydrophobicContact CB-CB 4.14Å; A149-M249 HydrophobicContact CB-CE 4.09Å; A149-M249 HydrophobicContact CB-SD 3.9Å; A149-Y252 HydrophobicContact CB-CD2 3.76Å
150	C	93.6	Very high	88.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	129.1	168.2	-63.9	0	0	0	0	111.5	R133 C135 N142 F243	R133-C150 CarbonylContact O-C 3.52Å; R133-C150 WeakPolarHBondContact O-CA 3.2Å; C135-C150 HydrophobicContact CB-CB 3.7Å; C135-C150 WeakPolarHBondContact CB-SG 3.4Å; C135-C150 WeakPolarHBondContact SG-CA 3.44Å; C135-C150 WeakPolarHBondContact SG-CB 3.33Å; C135-C150 CovalentContact SG-SG 2.03Å; C135-C150 PolarHBondContact SG-SG 2.62Å; N142-C150 PolarHBondContact OD1-N 3.07Å; N142-C150 PolarHBondContact OD1-SG 3.46Å; C150-F243 HydrophobicContact CB-CD1 3.97Å; C150-F243 HydrophobicContact CB-CE1 4.2Å
151	A	94	Very high	89.4	Confident	2 Å²	2	49.9 Å²	49.9	2%	0.017	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-69.6	135.1	171.7	0	0	0	0	0	110.1	L129 R133 A149 D153 F243	L129-A151 HydrophobicContact CD2-CB 4.18Å; R133-A151 PolarHBondContact O-N 3.25Å; A149-A151 PolarHBondContact O-N 3.39Å; A151-D153 PolarHBondContact O-N 3.31Å; A151-F243 WeakPolarHBondContact O-CE1 3.35Å
152	F	94.3	Very high	89.8	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.035	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-65.2	121.1	173.3	-173.7	-98.1	0	0	0	111.3	Y126 Q154 F155 I158 F243 H253 F256	Y126-F152 HydrophobicContact CD1-CB 3.75Å; Y126-F152 HydrophobicContact CD1-CD1 4.37Å; Y126-F152 HydrophobicContact CD1-CG 4.15Å; Y126-F152 HydrophobicContact CE1-CB 4.16Å; Y126-F152 HydrophobicContact CE1-CG 4.33Å; F152-Q154 HydrophobicContact CE1-CB 3.83Å; F152-Q154 HydrophobicContact CE2-CB 4.09Å; F152-Q154 HydrophobicContact CE2-CG 3.99Å; F152-Q154 HydrophobicContact CZ-CB 3.56Å; F152-Q154 HydrophobicContact CZ-CG 4Å; F152-F155 AromaticContact CD1-CD2 3.94Å; F152-F155 HydrophobicContact CD1-CD2 3.94Å; F152-F155 HydrophobicContact CD1-CE1 4.34Å; F152-F155 AromaticContact CD1-CE2 3.56Å; F152-F155 HydrophobicContact CD1-CE2 3.56Å; F152-F155 AromaticContact CD1-CZ 3.76Å; F152-F155 HydrophobicContact CD1-CZ 3.76Å; F152-F155 HydrophobicContact CE1-CD1 4.46Å; F152-F155 HydrophobicContact CE1-CD2 4.39Å; F152-F155 HydrophobicContact CE1-CE1 4.23Å; F152-F155 HydrophobicContact CE1-CE2 4.21Å; F152-F155 HydrophobicContact CE1-CZ 4.1Å; F152-I158 HydrophobicContact CE1-CD1 3.91Å; F152-I158 HydrophobicContact CZ-CD1 4.16Å; F152-F243 HydrophobicContact CD2-CE1 4.41Å; F152-F243 HydrophobicContact CD2-CE2 4.33Å; F152-F243 HydrophobicContact CD2-CZ 4.01Å; F152-H253 HydrophobicContact CB-CB 3.99Å; F152-H253 PolarHBondContact N-ND1 2.92Å; F152-F256 AromaticContact CD1-CE1 3.87Å; F152-F256 HydrophobicContact CD1-CE1 3.87Å; F152-F256 HydrophobicContact CD1-CZ 4.09Å; F152-F256 HydrophobicContact CD2-CD1 4.34Å; F152-F256 HydrophobicContact CD2-CE1 4.27Å; F152-F256 HydrophobicContact CE1-CD1 4.22Å; F152-F256 AromaticContact CE1-CE1 3.42Å; F152-F256 HydrophobicContact CE1-CE1 3.42Å; F152-F256 VanDerWaalsContact CE1-CE1 3.42Å; F152-F256 AromaticContact CE1-CE2 3.95Å; F152-F256 HydrophobicContact CE1-CE2 3.95Å; F152-F256 AromaticContact CE1-CZ 3.26Å; F152-F256 HydrophobicContact CE1-CZ 3.26Å; F152-F256 AromaticContact CE2-CD1 3.83Å; F152-F256 HydrophobicContact CE2-CD1 3.83Å; F152-F256 AromaticContact CE2-CE1 3.87Å; F152-F256 HydrophobicContact CE2-CE1 3.87Å; F152-F256 HydrophobicContact CE2-CG 4.19Å; F152-F256 HydrophobicContact CE2-CZ 4.27Å; F152-F256 HydrophobicContact CG-CE1 4.25Å; F152-F256 AromaticContact CZ-CD1 3.73Å; F152-F256 HydrophobicContact CZ-CD1 3.73Å; F152-F256 AromaticContact CZ-CD2 3.95Å; F152-F256 HydrophobicContact CZ-CD2 3.95Å; F152-F256 AromaticContact CZ-CE1 3.39Å; F152-F256 HydrophobicContact CZ-CE1 3.39Å; F152-F256 AromaticContact CZ-CE2 3.64Å; F152-F256 HydrophobicContact CZ-CE2 3.64Å; F152-F256 HydrophobicContact CZ-CG 4Å; F152-F256 AromaticContact CZ-CZ 3.36Å; F152-F256 HydrophobicContact CZ-CZ 3.36Å
153	D	92.2	Very high	90.1	Very high	49 Å²	49	52.2 Å²	52.2	26%	0.262	28%	0.282	S	S	.	.			trans	-118.7	4.9	-168.8	67	-18.8	0	0	0	114	A151 F155 K242 F243	A151-D153 PolarHBondContact O-N 3.31Å; D153-F155 VanDerWaalsContact C-N 3.25Å; D153-F155 PolarHBondContact O-N 3.31Å; D153-K242 VanDerWaalsContact CG-NZ 3.3Å; D153-K242 IonicContact OD1-NZ 3.27Å; D153-K242 PolarHBondContact OD1-NZ 2.94Å; D153-K242 IonicContact OD2-NZ 2.61Å; D153-K242 PolarHBondContact OD2-NZ 2.81Å; D153-F243 WeakPolarHBondContact OD1-CZ 3.47Å
154	Q	91.4	Very high	90.6	Very high	33 Å²	33	50.5 Å²	50.5	15%	0.154	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	1.1	-174.6	-56.2	-62	-54	0	0	114	F152 A156 A157 I158	F152-Q154 HydrophobicContact CE1-CB 3.83Å; F152-Q154 HydrophobicContact CE2-CB 4.09Å; F152-Q154 HydrophobicContact CE2-CG 3.99Å; F152-Q154 HydrophobicContact CZ-CB 3.56Å; F152-Q154 HydrophobicContact CZ-CG 4Å; Q154-A156 PolarHBondContact O-N 2.8Å; Q154-A156 VanDerWaalsContact O-N 3.15Å; Q154-A157 PolarHBondContact O-N 3.39Å; Q154-I158 VanDerWaalsContact O-CG1 3.32Å; Q154-I158 WeakPolarHBondContact O-CG1 3.49Å; Q154-I158 PolarHBondContact O-N 2.94Å; Q154-I158 VanDerWaalsContact O-N 3.16Å
155	F	93	Very high	91.3	Very high	41 Å²	41	49.8 Å²	49.8	18%	0.18	27%	0.267	C	S	.	.	H	α-helix	trans	-56.7	-33.3	-177.5	-73	-64.3	0	0	0	113.9	Y123 Y126 F152 D153 I158 R159 F256	Y123-F155 HydrophobicContact CD1-CD1 4.21Å; Y123-F155 AromaticContact CD1-CE1 3.49Å; Y123-F155 HydrophobicContact CD1-CE1 3.49Å; Y123-F155 VanDerWaalsContact CD1-CE1 3.49Å; Y123-F155 HydrophobicContact CD1-CZ 4.41Å; Y123-F155 AromaticContact CE1-CD1 3.94Å; Y123-F155 HydrophobicContact CE1-CD1 3.94Å; Y123-F155 AromaticContact CE1-CE1 3.48Å; Y123-F155 HydrophobicContact CE1-CE1 3.48Å; Y123-F155 VanDerWaalsContact CE1-CE1 3.48Å; Y123-F155 HydrophobicContact CG-CE1 4.37Å; Y126-F155 HydrophobicContact CG-CZ 4.1Å; F152-F155 AromaticContact CD1-CD2 3.94Å; F152-F155 HydrophobicContact CD1-CD2 3.94Å; F152-F155 HydrophobicContact CD1-CE1 4.34Å; F152-F155 AromaticContact CD1-CE2 3.56Å; F152-F155 HydrophobicContact CD1-CE2 3.56Å; F152-F155 AromaticContact CD1-CZ 3.76Å; F152-F155 HydrophobicContact CD1-CZ 3.76Å; F152-F155 HydrophobicContact CE1-CD1 4.46Å; F152-F155 HydrophobicContact CE1-CD2 4.39Å; F152-F155 HydrophobicContact CE1-CE1 4.23Å; F152-F155 HydrophobicContact CE1-CE2 4.21Å; F152-F155 HydrophobicContact CE1-CZ 4.1Å; D153-F155 VanDerWaalsContact C-N 3.25Å; D153-F155 PolarHBondContact O-N 3.31Å; F155-I158 HydrophobicContact CD1-CD1 4.18Å; F155-I158 PolarHBondContact O-N 2.95Å; F155-R159 WeakPolarHBondContact O-CG 3.49Å; F155-R159 PolarHBondContact O-N 3.31Å; F155-F256 HydrophobicContact CE1-CZ 4.34Å
156	A	91.9	Very high	92.2	Very high	59 Å²	59	47.2 Å²	47.2	49%	0.488	25%	0.25	S	C	.	.	H	α-helix	trans	-62.9	-44.4	176.4	0	0	0	0	0	112.1	Q154 I158 R159 N160	Q154-A156 PolarHBondContact O-N 2.8Å; Q154-A156 VanDerWaalsContact O-N 3.15Å; A156-I158 VanDerWaalsContact C-N 3.29Å; A156-I158 PolarHBondContact O-N 3Å; A156-R159 PolarHBondContact O-N 2.95Å; A156-N160 WeakPolarHBondContact O-CB 3.29Å; A156-N160 PolarHBondContact O-N 2.91Å; A156-N160 VanDerWaalsContact O-N 3.07Å; A156-N160 PolarHBondContact O-ND2 2.83Å; A156-N160 PolarHBondContact O-OD1 3.12Å
157	A	93.1	Very high	92.9	Very high	35 Å²	35	46.6 Å²	46.6	29%	0.289	25%	0.245	S	C	.	.	H	α-helix	trans	-65.7	-34.1	177	0	0	0	0	0	112.3	Q154 S161 I234	Q154-A157 PolarHBondContact O-N 3.39Å; A157-S161 PolarHBondContact O-N 2.78Å; A157-S161 PolarHBondContact O-OG 2.85Å; A157-S161 VanDerWaalsContact O-OG 3.06Å; A157-I234 HydrophobicContact CB-CG2 4.24Å
158	I	95.2	Very high	93.4	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-50.2	177.1	-62.2	172.7	0	0	0	110.9	F152 Q154 F155 A156 N160 S161 C163 I234 F256 L258	F152-I158 HydrophobicContact CE1-CD1 3.91Å; F152-I158 HydrophobicContact CZ-CD1 4.16Å; Q154-I158 VanDerWaalsContact O-CG1 3.32Å; Q154-I158 WeakPolarHBondContact O-CG1 3.49Å; Q154-I158 PolarHBondContact O-N 2.94Å; Q154-I158 VanDerWaalsContact O-N 3.16Å; F155-I158 HydrophobicContact CD1-CD1 4.18Å; F155-I158 PolarHBondContact O-N 2.95Å; A156-I158 VanDerWaalsContact C-N 3.29Å; A156-I158 PolarHBondContact O-N 3Å; I158-N160 PolarHBondContact O-N 3.36Å; I158-S161 PolarHBondContact O-N 2.9Å; I158-S161 VanDerWaalsContact O-N 3.12Å; I158-C163 HydrophobicContact CG2-CB 3.76Å; I158-C163 WeakPolarHBondContact CG2-O 3.42Å; I158-C163 PolarHBondContact O-N 2.76Å; I158-I234 HydrophobicContact CG1-CG2 4.01Å; I158-F256 HydrophobicContact CD1-CE2 3.71Å; I158-F256 HydrophobicContact CD1-CZ 4.02Å; I158-L258 HydrophobicContact CB-CD1 4.47Å; I158-L258 HydrophobicContact CD1-CD1 3.6Å; I158-L258 HydrophobicContact CG1-CD1 3.52Å; I158-L258 HydrophobicContact CG2-CD1 4.23Å
159	R	94.4	Very high	93.9	Very high	131 Å²	131	39 Å²	39	49%	0.494	21%	0.207	S	C	.	.	H	α-helix	trans	-61.1	-43.9	177.4	-66.3	-169.9	-170	118	2.6	111.8	F155 A156 S161 N162 E166	F155-R159 WeakPolarHBondContact O-CG 3.49Å; F155-R159 PolarHBondContact O-N 3.31Å; A156-R159 PolarHBondContact O-N 2.95Å; R159-S161 PolarHBondContact O-N 3.16Å; R159-N162 PolarHBondContact O-N 3.06Å; R159-E166 WeakPolarHBondContact CB-OE1 3.4Å; R159-E166 WeakPolarHBondContact CD-OE1 3.46Å; R159-E166 WeakPolarHBondContact CG-OE1 3.25Å
160	N	94.2	Very high	94	Very high	134 Å²	134	39 Å²	39	72%	0.717	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.2	177.7	-69.9	-7.1	0	0	0	114	A156 I158	A156-N160 WeakPolarHBondContact O-CB 3.29Å; A156-N160 PolarHBondContact O-N 2.91Å; A156-N160 VanDerWaalsContact O-N 3.07Å; A156-N160 PolarHBondContact O-ND2 2.83Å; A156-N160 PolarHBondContact O-OD1 3.12Å; I158-N160 PolarHBondContact O-N 3.36Å
161	S	94	Very high	94.1	Very high	13 Å²	13	39 Å²	39	9%	0.091	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	13	178.2	-59.4	0	0	0	0	113.6	A157 I158 R159 C163 K232 K260	A157-S161 PolarHBondContact O-N 2.78Å; A157-S161 PolarHBondContact O-OG 2.85Å; A157-S161 VanDerWaalsContact O-OG 3.06Å; I158-S161 PolarHBondContact O-N 2.9Å; I158-S161 VanDerWaalsContact O-N 3.12Å; R159-S161 PolarHBondContact O-N 3.16Å; S161-C163 PolarHBondContact O-N 3.21Å; S161-K232 PolarHBondContact OG-NZ 3.01Å; S161-K260 PolarHBondContact O-NZ 2.94Å
162	N	94.9	Very high	94.1	Very high	80 Å²	80	40.8 Å²	40.8	43%	0.428	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	38.5	-174.1	-55.9	92.1	0	0	0	112.9	R159 D167	R159-N162 PolarHBondContact O-N 3.06Å; N162-D167 WeakPolarHBondContact CA-OD2 3.04Å; N162-D167 HydrophobicContact CB-CB 4.31Å; N162-D167 PolarHBondContact ND2-OD1 3.3Å
163	C	95.6	Very high	94	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.245	C	C	.	.			trans	-113.2	17.7	173.4	-64.5	0	0	0	0	111.1	I158 S161 F169 C177 I234 L258	I158-C163 HydrophobicContact CG2-CB 3.76Å; I158-C163 WeakPolarHBondContact CG2-O 3.42Å; I158-C163 PolarHBondContact O-N 2.76Å; S161-C163 PolarHBondContact O-N 3.21Å; C163-F169 VanDerWaalsContact O-CD1 3.24Å; C163-F169 WeakPolarHBondContact O-CD1 3.4Å; C163-C177 WeakPolarHBondContact CA-SG 3.34Å; C163-C177 HydrophobicContact CB-CB 3.57Å; C163-C177 WeakPolarHBondContact CB-SG 3.17Å; C163-C177 WeakPolarHBondContact SG-CB 3.39Å; C163-C177 CovalentContact SG-SG 2.03Å; C163-C177 PolarHBondContact SG-SG 3.26Å; C163-I234 HydrophobicContact CB-CD1 4.31Å; C163-I234 WeakPolarHBondContact SG-CD1 3.41Å; C163-L258 HydrophobicContact CB-CD2 4.12Å
164	G	93.9	Very high	94.1	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.021	23%	0.232	C	C	.	.	S	Bend	trans	-75.1	172.5	179.6	0	0	0	0	0	113.2	E166 D167 F169	G164-E166 PolarHBondContact O-N 3.08Å; G164-D167 PolarHBondContact O-N 3.24Å; G164-F169 PolarHBondContact O-N 3.15Å
165	E	94	Very high	94.3	Very high	55 Å²	55	42.8 Å²	42.8	26%	0.257	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-31.6	172.3	-75.6	-179.6	-116.3	0	0	110.8	Y123 K127 S168 F169	Y123-E165 HydrophobicContact CD1-CG 4.2Å; K127-E165 WeakPolarHBondContact CE-OE1 3.21Å; K127-E165 VanDerWaalsContact NZ-CD 3.32Å; K127-E165 IonicContact NZ-OE1 2.67Å; K127-E165 PolarHBondContact NZ-OE1 2.9Å; K127-E165 IonicContact NZ-OE2 2.67Å; K127-E165 PolarHBondContact NZ-OE2 3.26Å; E165-S168 PolarHBondContact O-N 2.77Å; E165-F169 HydrophobicContact CB-CZ 4.34Å; E165-F169 HydrophobicContact CG-CE1 4.11Å; E165-F169 HydrophobicContact CG-CE2 4.44Å; E165-F169 HydrophobicContact CG-CZ 3.61Å
166	E	93.4	Very high	94.5	Very high	113 Å²	113	40.9 Å²	40.9	53%	0.528	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-34.4	178.4	62	-81.5	-166.5	0	0	113.7	R159 G164 S168	R159-E166 WeakPolarHBondContact CB-OE1 3.4Å; R159-E166 WeakPolarHBondContact CD-OE1 3.46Å; R159-E166 WeakPolarHBondContact CG-OE1 3.25Å; G164-E166 PolarHBondContact O-N 3.08Å; E166-S168 VanDerWaalsContact C-N 3.29Å; E166-S168 PolarHBondContact O-N 3.05Å
167	D	94	Very high	94.8	Very high	39 Å²	39	38 Å²	38	21%	0.209	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	13.1	177.9	-55.8	-84.1	0	0	0	112.4	N162 G164 F169 G170	N162-D167 WeakPolarHBondContact CA-OD2 3.04Å; N162-D167 HydrophobicContact CB-CB 4.31Å; N162-D167 PolarHBondContact ND2-OD1 3.3Å; G164-D167 PolarHBondContact O-N 3.24Å; D167-F169 PolarHBondContact O-N 3.2Å; D167-F169 VanDerWaalsContact O-N 3.11Å; D167-G170 PolarHBondContact O-N 3.27Å
168	S	95.4	Very high	95	Very high	24 Å²	24	36.4 Å²	36.4	17%	0.168	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	50	36.5	-171.5	-59.1	0	0	0	0	112.8	E165 E166 G170 F171	E165-S168 PolarHBondContact O-N 2.77Å; E166-S168 VanDerWaalsContact C-N 3.29Å; E166-S168 PolarHBondContact O-N 3.05Å; S168-G170 PolarHBondContact O-N 3.41Å; S168-G170 VanDerWaalsContact O-N 3.13Å; S168-F171 WeakPolarHBondContact O-CB 3.36Å; S168-F171 WeakPolarHBondContact O-CD2 3.49Å; S168-F171 PolarHBondContact O-N 2.93Å; S168-F171 VanDerWaalsContact O-N 3.08Å
169	F	96.3	Very high	95.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	52.7	30.5	-176.6	-47.4	-86.3	0	0	0	114	V116 L119 R120 Y123 C163 G164 E165 D167 F171 C177	V116-F169 HydrophobicContact CG1-CD2 4.01Å; V116-F169 HydrophobicContact CG1-CE2 4.09Å; L119-F169 HydrophobicContact CB-CD1 4.34Å; L119-F169 HydrophobicContact CB-CD2 3.66Å; L119-F169 HydrophobicContact CB-CE1 4.12Å; L119-F169 HydrophobicContact CB-CE2 3.38Å; L119-F169 HydrophobicContact CB-CG 4.13Å; L119-F169 HydrophobicContact CB-CZ 3.62Å; L119-F169 HydrophobicContact CD1-CB 3.68Å; L119-F169 HydrophobicContact CD1-CD1 4.11Å; L119-F169 HydrophobicContact CD1-CD2 3.65Å; L119-F169 HydrophobicContact CD1-CE2 4.28Å; L119-F169 HydrophobicContact CD1-CG 3.55Å; L119-F169 HydrophobicContact CG-CD2 4.31Å; L119-F169 HydrophobicContact CG-CE2 4.47Å; L119-F169 HydrophobicContact CG-CG 4.45Å; R120-F169 HydrophobicContact CG-CE2 4Å; R120-F169 HydrophobicContact CG-CZ 4.32Å; Y123-F169 AromaticContact CD1-CE1 3.96Å; Y123-F169 HydrophobicContact CD1-CE1 3.96Å; Y123-F169 HydrophobicContact CD1-CZ 4.4Å; Y123-F169 AromaticContact CD2-CE1 3.91Å; Y123-F169 HydrophobicContact CD2-CE1 3.91Å; Y123-F169 HydrophobicContact CD2-CZ 4.18Å; Y123-F169 AromaticContact CE1-CE1 3.68Å; Y123-F169 HydrophobicContact CE1-CE1 3.68Å; Y123-F169 HydrophobicContact CE2-CD1 4.36Å; Y123-F169 AromaticContact CE2-CE1 3.65Å; Y123-F169 HydrophobicContact CE2-CE1 3.65Å; Y123-F169 HydrophobicContact CE2-CZ 4.35Å; Y123-F169 HydrophobicContact CG-CE1 4.11Å; Y123-F169 HydrophobicContact CG-CZ 4.26Å; Y123-F169 AromaticContact CZ-CE1 3.55Å; C163-F169 VanDerWaalsContact O-CD1 3.24Å; C163-F169 WeakPolarHBondContact O-CD1 3.4Å; G164-F169 PolarHBondContact O-N 3.15Å; E165-F169 HydrophobicContact CB-CZ 4.34Å; E165-F169 HydrophobicContact CG-CE1 4.11Å; E165-F169 HydrophobicContact CG-CE2 4.44Å; E165-F169 HydrophobicContact CG-CZ 3.61Å; D167-F169 PolarHBondContact O-N 3.2Å; D167-F169 VanDerWaalsContact O-N 3.11Å; F169-F171 HydrophobicContact CB-CD2 3.93Å; F169-F171 HydrophobicContact CB-CE2 4.14Å; F169-F171 WeakPolarHBondContact O-CD2 3.45Å; F169-F171 PolarHBondContact O-N 3.44Å; F169-C177 WeakPolarHBondContact O-CB 3.3Å; F169-C177 PolarHBondContact O-N 3Å; F169-C177 PolarHBondContact O-SG 2.63Å
170	G	95.2	Very high	95.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.01	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	78.2	-3.9	-179.9	0	0	0	0	0	115.3	D167 S168 S172 N173 G174 T175	D167-G170 PolarHBondContact O-N 3.27Å; S168-G170 PolarHBondContact O-N 3.41Å; S168-G170 VanDerWaalsContact O-N 3.13Å; G170-S172 VanDerWaalsContact C-N 3.33Å; G170-S172 PolarHBondContact O-N 3.3Å; G170-N173 PolarHBondContact O-N 2.98Å; G170-G174 PolarHBondContact O-N 3.39Å; G170-T175 CarbonylContact C-O 3.45Å; G170-T175 WeakPolarHBondContact CA-O 3.42Å; G170-T175 CarbonylContact O-C 3.57Å; G170-T175 VanDerWaalsContact O-C 3.3Å; G170-T175 PolarHBondContact O-N 3.47Å
171	F	96	Very high	95.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-63.7	-37.1	-179.4	-78.5	-101.6	0	0	0	112.5	P91 I102 I104 Y112 Y115 V116 L119 S168 F169 N173 G174 P176 I178	P91-F171 HydrophobicContact CG-CE1 4.48Å; P91-F171 HydrophobicContact CG-CE2 4.49Å; P91-F171 HydrophobicContact CG-CZ 3.74Å; I102-F171 HydrophobicContact CG2-CE1 3.66Å; I102-F171 HydrophobicContact CG2-CZ 4.23Å; I104-F171 HydrophobicContact CD1-CD1 3.47Å; I104-F171 VanDerWaalsContact CD1-CD1 3.47Å; I104-F171 HydrophobicContact CD1-CE1 3.78Å; I104-F171 HydrophobicContact CD1-CG 4.31Å; I104-F171 HydrophobicContact CG1-CD1 3.84Å; I104-F171 HydrophobicContact CG1-CE1 4.17Å; Y112-F171 HydrophobicContact CD2-CB 3.78Å; Y112-F171 HydrophobicContact CE2-CB 4.47Å; Y112-F171 HydrophobicContact CG-CB 3.97Å; Y115-F171 HydrophobicContact CD2-CE1 4.18Å; Y115-F171 HydrophobicContact CG-CE1 4.06Å; V116-F171 HydrophobicContact CG2-CB 3.95Å; V116-F171 HydrophobicContact CG2-CD2 4.31Å; V116-F171 HydrophobicContact CG2-CG 4.12Å; L119-F171 HydrophobicContact CD1-CD2 4.43Å; L119-F171 HydrophobicContact CD1-CE2 3.63Å; L119-F171 HydrophobicContact CD1-CZ 4.3Å; S168-F171 WeakPolarHBondContact O-CB 3.36Å; S168-F171 WeakPolarHBondContact O-CD2 3.49Å; S168-F171 PolarHBondContact O-N 2.93Å; S168-F171 VanDerWaalsContact O-N 3.08Å; F169-F171 HydrophobicContact CB-CD2 3.93Å; F169-F171 HydrophobicContact CB-CE2 4.14Å; F169-F171 WeakPolarHBondContact O-CD2 3.45Å; F169-F171 PolarHBondContact O-N 3.44Å; F171-N173 PolarHBondContact O-N 2.88Å; F171-G174 PolarHBondContact O-N 3.46Å; F171-G174 VanDerWaalsContact O-N 3.14Å; F171-P176 HydrophobicContact CD1-CB 4.22Å; F171-P176 HydrophobicContact CD2-CB 4.16Å; F171-P176 HydrophobicContact CE1-CB 4.07Å; F171-P176 HydrophobicContact CE2-CB 3.98Å; F171-P176 HydrophobicContact CG-CB 4.28Å; F171-P176 HydrophobicContact CZ-CB 3.94Å; F171-I178 HydrophobicContact CZ-CD1 4.02Å
172	S	93.5	Very high	95.4	Very high	39 Å²	39	24 Å²	24	27%	0.273	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-62.6	-28.6	179.7	61.3	0	0	0	0	113.5	G170	G170-S172 VanDerWaalsContact C-N 3.33Å; G170-S172 PolarHBondContact O-N 3.3Å
173	N	93	Very high	95.4	Very high	106 Å²	106	24.2 Å²	24.2	57%	0.567	13%	0.131	S	C	*	.	G	3₁₀ helix	trans	-97.9	1.8	-177.8	-63.1	-3.3	0	0	0	112	G170 F171 T175	G170-N173 PolarHBondContact O-N 2.98Å; F171-N173 PolarHBondContact O-N 2.88Å; N173-T175 PolarHBondContact O-N 2.85Å
174	G	93.9	Very high	95.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	22.9	-172	0	0	0	0	0	114.2	G170 F171 P176	G170-G174 PolarHBondContact O-N 3.39Å; F171-G174 PolarHBondContact O-N 3.46Å; F171-G174 VanDerWaalsContact O-N 3.14Å; G174-P176 WeakPolarHBondContact O-CD 3.27Å
175	T	95.8	Very high	95.1	Very high	26 Å²	26	28.8 Å²	28.8	16%	0.16	15%	0.152	C	C	.	.			trans	-120.6	61.8	176.1	53.7	0	0	0	0	110.1	G170 N173 F261 L262	G170-T175 CarbonylContact C-O 3.45Å; G170-T175 WeakPolarHBondContact CA-O 3.42Å; G170-T175 CarbonylContact O-C 3.57Å; G170-T175 VanDerWaalsContact O-C 3.3Å; G170-T175 PolarHBondContact O-N 3.47Å; N173-T175 PolarHBondContact O-N 2.85Å; T175-F261 CarbonylContact C-O 3.35Å; T175-F261 WeakPolarHBondContact CA-O 3.41Å; T175-F261 WeakPolarHBondContact CB-O 3.32Å; T175-L262 WeakPolarHBondContact CG2-O 3.33Å
176	P	97.1	Very high	94.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.			trans	-62.2	143.8	-167.7	28	-37	0	0	0	112	I104 F171 G174 I178 F261 L296	I104-P176 HydrophobicContact CD1-CB 3.63Å; I104-P176 HydrophobicContact CD1-CG 3.6Å; F171-P176 HydrophobicContact CD1-CB 4.22Å; F171-P176 HydrophobicContact CD2-CB 4.16Å; F171-P176 HydrophobicContact CE1-CB 4.07Å; F171-P176 HydrophobicContact CE2-CB 3.98Å; F171-P176 HydrophobicContact CG-CB 4.28Å; F171-P176 HydrophobicContact CZ-CB 3.94Å; G174-P176 WeakPolarHBondContact O-CD 3.27Å; P176-I178 HydrophobicContact CB-CD1 4.2Å; P176-F261 HydrophobicContact CG-CB 4.34Å; P176-F261 HydrophobicContact CG-CD2 4.34Å; P176-F261 PolarHBondContact O-N 3.33Å; P176-F261 VanDerWaalsContact O-N 3.14Å; P176-L296 HydrophobicContact CG-CD1 3.95Å; P176-L296 HydrophobicContact CG-CD2 4.16Å
177	C	97.7	Very high	94.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.5	171.2	-52.7	0	0	0	0	109.7	C163 F169 L258 V259	C163-C177 WeakPolarHBondContact CA-SG 3.34Å; C163-C177 HydrophobicContact CB-CB 3.57Å; C163-C177 WeakPolarHBondContact CB-SG 3.17Å; C163-C177 WeakPolarHBondContact SG-CB 3.39Å; C163-C177 CovalentContact SG-SG 2.03Å; C163-C177 PolarHBondContact SG-SG 3.26Å; F169-C177 WeakPolarHBondContact O-CB 3.3Å; F169-C177 PolarHBondContact O-N 3Å; F169-C177 PolarHBondContact O-SG 2.63Å; C177-L258 HydrophobicContact CB-CD2 3.78Å; C177-V259 WeakPolarHBondContact CA-O 3.29Å
178	I	97.7	Very high	94.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.4	-179.6	-52	-51.1	0	0	0	109	Y89 Q90 I102 F171 P176 L258 V259 F261 F294	Y89-I178 HydrophobicContact CD2-CG2 4.24Å; Q90-I178 WeakPolarHBondContact O-CG2 3.42Å; I102-I178 HydrophobicContact CD1-CD1 3.51Å; I102-I178 HydrophobicContact CD1-CG1 4.29Å; F171-I178 HydrophobicContact CZ-CD1 4.02Å; P176-I178 HydrophobicContact CB-CD1 4.2Å; I178-L258 CarbonylContact O-C 3.48Å; I178-L258 VanDerWaalsContact O-CA 3.22Å; I178-L258 WeakPolarHBondContact O-CA 3.45Å; I178-V259 HydrophobicContact CB-CG1 3.95Å; I178-V259 PolarHBondContact N-O 2.9Å; I178-V259 PolarHBondContact O-N 2.76Å; I178-F261 HydrophobicContact CB-CE2 4.31Å; I178-F261 HydrophobicContact CG1-CD2 4.15Å; I178-F261 HydrophobicContact CG1-CE2 3.65Å; I178-F294 HydrophobicContact CB-CZ 4.28Å; I178-F294 HydrophobicContact CG1-CE2 4.11Å; I178-F294 HydrophobicContact CG1-CZ 4.22Å; I178-F294 HydrophobicContact CG2-CE1 4.1Å; I178-F294 HydrophobicContact CG2-CE2 4.33Å; I178-F294 HydrophobicContact CG2-CZ 3.93Å
179	V	97.8	Very high	94.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130	178.3	171	0	0	0	0	109	Y89 Q90 L119 F122 Y123 T181 F256 L258	Y89-V179 CarbonylContact C-O 3.57Å; Y89-V179 WeakPolarHBondContact CA-O 3.41Å; Q90-V179 HydrophobicContact CB-CB 4.05Å; Q90-V179 HydrophobicContact CB-CG1 4.48Å; Q90-V179 PolarHBondContact N-O 2.86Å; Q90-V179 PolarHBondContact O-N 2.9Å; L119-V179 HydrophobicContact CD2-CG2 3.83Å; F122-V179 HydrophobicContact CE1-CG1 3.82Å; F122-V179 HydrophobicContact CZ-CG1 3.94Å; Y123-V179 HydrophobicContact CE2-CG2 4.18Å; V179-T181 HydrophobicContact CG1-CG2 3.86Å; V179-F256 HydrophobicContact CG1-CB 3.75Å; V179-F256 HydrophobicContact CG1-CD2 3.7Å; V179-F256 HydrophobicContact CG1-CE2 4.45Å; V179-F256 HydrophobicContact CG1-CG 3.83Å; V179-F256 HydrophobicContact CG2-CD2 4.33Å; V179-F256 HydrophobicContact CG2-CE2 4.4Å; V179-L258 HydrophobicContact CG2-CD2 3.94Å; V179-L258 HydrophobicContact CG2-CG 4.16Å
180	L	97.7	Very high	94.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.2	175.3	-59	176.9	0	0	0	109.8	M87 V215 F256 A257 V259 C274 V292 F294	M87-L180 HydrophobicContact CE-CB 4.1Å; M87-L180 HydrophobicContact CE-CD1 4.36Å; L180-V215 HydrophobicContact CD1-CB 4.19Å; L180-V215 HydrophobicContact CD1-CG1 4.48Å; L180-V215 HydrophobicContact CD1-CG2 4.32Å; L180-F256 VanDerWaalsContact O-CA 3.27Å; L180-F256 WeakPolarHBondContact O-CA 3.43Å; L180-F256 WeakPolarHBondContact O-CB 3.38Å; L180-A257 PolarHBondContact N-O 2.72Å; L180-A257 PolarHBondContact O-N 3.19Å; L180-V259 HydrophobicContact CD1-CB 4.28Å; L180-V259 HydrophobicContact CD1-CG1 3.99Å; L180-V259 HydrophobicContact CG-CG1 4.21Å; L180-C274 HydrophobicContact CD1-CB 4.17Å; L180-C274 HydrophobicContact CD2-CB 4.07Å; L180-V292 HydrophobicContact CD2-CG1 4.08Å; L180-F294 HydrophobicContact CD2-CE1 4.4Å
181	T	96.3	Very high	94.4	Very high	13 Å²	13	31 Å²	31	8%	0.08	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	152.8	-177.2	66.8	0	0	0	0	110.9	M87 G88 F122 V179 F256	M87-T181 CarbonylContact C-O 3.58Å; M87-T181 VanDerWaalsContact CA-O 3.3Å; M87-T181 WeakPolarHBondContact CA-O 3.43Å; G88-T181 PolarHBondContact N-O 3.23Å; G88-T181 PolarHBondContact O-N 2.9Å; G88-T181 PolarHBondContact O-OG1 2.91Å; F122-T181 HydrophobicContact CE2-CG2 4.38Å; F122-T181 HydrophobicContact CZ-CG2 4.04Å; V179-T181 HydrophobicContact CG1-CG2 3.86Å; T181-F256 HydrophobicContact CG2-CB 3.92Å
182	L	95	Very high	94.3	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141.7	169.7	-78.5	175	0	0	0	111.3	P85 M87 W188 V213 I239 F244 Q254 A276	P85-L182 HydrophobicContact CB-CD2 4.08Å; P85-L182 HydrophobicContact CG-CD2 4.02Å; M87-L182 HydrophobicContact CG-CD2 3.75Å; L182-W188 HydrophobicContact CD1-CH2 4.18Å; L182-W188 HydrophobicContact CD1-CZ3 4.24Å; L182-V213 HydrophobicContact CD1-CB 4.22Å; L182-V213 HydrophobicContact CD1-CG1 3.83Å; L182-V213 HydrophobicContact CD1-CG2 3.85Å; L182-I239 HydrophobicContact CD1-CD1 4.34Å; L182-I239 HydrophobicContact CG-CD1 4.24Å; L182-F244 HydrophobicContact CD1-CZ 3.98Å; L182-Q254 PolarHBondContact O-NE2 3.43Å; L182-A276 HydrophobicContact CD2-CB 3.85Å
183	N	93.3	Very high	94.4	Very high	85 Å²	85	31.8 Å²	31.8	46%	0.455	18%	0.177	S	C	.	.			trans	-59.1	137.3	173	-78	-11.7	0	0	0	111.5	G86 L185	G86-N183 PolarHBondContact O-N 2.75Å; N183-L185 PolarHBondContact O-N 3.06Å
184	K	92.2	Very high	94.4	Very high	74 Å²	74	29.9 Å²	29.9	32%	0.322	17%	0.171	S	C	.	.			trans	-75.7	107.5	-178.2	-62.6	178.3	-174.4	178	0	110.7	Y246 Y252 Q254	K184-Y246 HydrophobicContact CB-CD1 3.98Å; K184-Y246 HydrophobicContact CB-CE1 4.3Å; K184-Y246 HydrophobicContact CB-CG 4.33Å; K184-Y246 HydrophobicContact CD-CE2 4.47Å; K184-Y252 HydrophobicContact CD-CD1 4.11Å; K184-Y252 HydrophobicContact CD-CE1 4.22Å; K184-Y252 HydrophobicContact CG-CE1 4.29Å; K184-Q254 VanDerWaalsContact CE-CD 3.43Å; K184-Q254 HydrophobicContact CG-CG 4.26Å
185	L	91.7	Very high	94.3	Very high	25 Å²	25	37.9 Å²	37.9	13%	0.131	21%	0.206	C	C	.	.			trans	-105.6	127	171.3	-61.8	-177.2	0	0	0	110.1	I81 P85 N183 G187 W188	I81-L185 HydrophobicContact CG2-CD2 3.64Å; P85-L185 HydrophobicContact CB-CD1 3.99Å; P85-L185 HydrophobicContact CB-CG 4.39Å; N183-L185 PolarHBondContact O-N 3.06Å; L185-G187 PolarHBondContact O-N 3.47Å; L185-W188 HydrophobicContact CB-CB 3.55Å; L185-W188 HydrophobicContact CB-CG 4.18Å; L185-W188 HydrophobicContact CD1-CG 4.37Å; L185-W188 PolarHBondContact O-N 3.39Å
186	I	90.3	Very high	94	Very high	38 Å²	38	41.5 Å²	41.5	20%	0.195	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-64.6	126.8	-179.2	-60.7	170.3	0	0	0	109.2	V71 P72 Y75 W188 Y246 V248	V71-I186 HydrophobicContact CG1-CD1 4.48Å; P72-I186 VanDerWaalsContact CD-CD1 3.45Å; P72-I186 HydrophobicContact CG-CD1 3.98Å; Y75-I186 HydrophobicContact CD2-CB 3.82Å; Y75-I186 HydrophobicContact CD2-CG2 3.82Å; Y75-I186 HydrophobicContact CE2-CB 4.27Å; Y75-I186 HydrophobicContact CE2-CG2 3.73Å; Y75-I186 HydrophobicContact CG-CB 4.35Å; I186-W188 PolarHBondContact O-N 3.26Å; I186-Y246 CarbonylContact C-O 3.57Å; I186-Y246 WeakPolarHBondContact CA-O 3.41Å; I186-Y246 HydrophobicContact CG1-CD1 3.88Å; I186-Y246 HydrophobicContact CG1-CE1 3.99Å; I186-V248 HydrophobicContact CD1-CG2 3.69Å; I186-V248 HydrophobicContact CG1-CG2 3.94Å; I186-V248 HydrophobicContact CG2-CG2 4.47Å
187	G	88.9	Confident	93.8	Very high	46 Å²	46	44 Å²	44	47%	0.474	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	-4.9	179.2	0	0	0	0	0	115.2	L185 Y246	L185-G187 PolarHBondContact O-N 3.47Å; G187-Y246 PolarHBondContact N-O 2.83Å
188	W	93.2	Very high	93.6	Very high	19 Å²	19	44.3 Å²	44.3	7%	0.072	24%	0.244	C	C	.	.			trans	-70.5	135.8	-179.9	-175.6	92.4	0	0	0	111.4	I83 P85 L182 L185 I186 P190 V213 F244 P245 N280 I281	I83-W188 PolarHBondContact O-NE1 2.96Å; P85-W188 HydrophobicContact CG-CD2 4.43Å; P85-W188 HydrophobicContact CG-CH2 4.16Å; P85-W188 HydrophobicContact CG-CZ2 3.74Å; L182-W188 HydrophobicContact CD1-CH2 4.18Å; L182-W188 HydrophobicContact CD1-CZ3 4.24Å; L185-W188 HydrophobicContact CB-CB 3.55Å; L185-W188 HydrophobicContact CB-CG 4.18Å; L185-W188 HydrophobicContact CD1-CG 4.37Å; L185-W188 PolarHBondContact O-N 3.39Å; I186-W188 PolarHBondContact O-N 3.26Å; W188-P190 HydrophobicContact CH2-CB 3.83Å; W188-P190 HydrophobicContact CZ3-CB 4.19Å; W188-P190 HydrophobicContact CZ3-CG 4.41Å; W188-V213 HydrophobicContact CH2-CG2 3.95Å; W188-V213 HydrophobicContact CZ3-CG2 4.38Å; W188-F244 AromaticContact CE3-CD1 3.66Å; W188-F244 HydrophobicContact CE3-CD1 3.66Å; W188-F244 AromaticContact CE3-CE1 3.79Å; W188-F244 HydrophobicContact CE3-CE1 3.79Å; W188-F244 HydrophobicContact CE3-CG 4.36Å; W188-F244 AromaticContact CZ3-CD1 3.71Å; W188-F244 HydrophobicContact CZ3-CD1 3.71Å; W188-F244 HydrophobicContact CZ3-CD2 4.49Å; W188-F244 AromaticContact CZ3-CE1 3.55Å; W188-F244 HydrophobicContact CZ3-CE1 3.55Å; W188-F244 HydrophobicContact CZ3-CE2 4.36Å; W188-F244 HydrophobicContact CZ3-CG 4.18Å; W188-F244 AromaticContact CZ3-CZ 3.9Å; W188-F244 HydrophobicContact CZ3-CZ 3.9Å; W188-P245 VanDerWaalsContact O-CA 3.23Å; W188-P245 WeakPolarHBondContact O-CA 3.31Å; W188-P245 VanDerWaalsContact O-CB 3.25Å; W188-P245 WeakPolarHBondContact O-CB 3.42Å; W188-N280 PolarHBondContact NE1-ND2 3.24Å; W188-I281 HydrophobicContact CH2-CD1 4.12Å; W188-I281 HydrophobicContact CH2-CG1 4.38Å; W188-I281 HydrophobicContact CZ2-CD1 4.06Å; W188-I281 HydrophobicContact CZ2-CG1 3.82Å
189	K	93.1	Very high	93.5	Very high	96 Å²	96	46.5 Å²	46.5	42%	0.417	26%	0.258	S	S	.	.			trans	-131	145.1	171.8	-57.5	-175.2	-158.2	-176.5	0	109	S143 P245 N280	S143-K189 VanDerWaalsContact CB-NZ 3.34Å; S143-K189 WeakPolarHBondContact OG-CE 3.37Å; S143-K189 PolarHBondContact OG-NZ 3.07Å; K189-P245 HydrophobicContact CD-CB 4.48Å; K189-P245 HydrophobicContact CD-CG 4.33Å; K189-P245 HydrophobicContact CG-CB 3.72Å; K189-P245 HydrophobicContact CG-CG 4.1Å; K189-N280 PolarHBondContact O-ND2 3.25Å
190	P	94.1	Very high	93.3	Very high	10 Å²	10	52.8 Å²	52.8	7%	0.065	29%	0.292	C	S	.	.			trans	-64.2	144.4	170	29.1	-35.8	0	0	0	110.7	W188 P211 V213 H241 F244 A278	W188-P190 HydrophobicContact CH2-CB 3.83Å; W188-P190 HydrophobicContact CZ3-CB 4.19Å; W188-P190 HydrophobicContact CZ3-CG 4.41Å; P190-P211 WeakPolarHBondContact CB-O 3.47Å; P190-P211 WeakPolarHBondContact CG-O 3.24Å; P190-V213 HydrophobicContact CB-CG2 3.65Å; P190-V213 HydrophobicContact CG-CG2 4.17Å; P190-H241 HydrophobicContact CG-CB 3.97Å; P190-F244 HydrophobicContact CG-CD2 4.05Å; P190-F244 HydrophobicContact CG-CG 4.47Å; P190-A278 HydrophobicContact CB-CB 4.12Å
191	V	94.3	Very high	93	Very high	68 Å²	68	56.8 Å²	56.8	41%	0.412	31%	0.312	S	S	.	.			trans	-110.3	130	173.7	179	0	0	0	0	108.1	Y279 N280	V191-Y279 HydrophobicContact CG1-CD1 4Å; V191-Y279 HydrophobicContact CG1-CG 4.45Å; V191-Y279 WeakPolarHBondContact O-CB 3.43Å; V191-Y279 PolarHBondContact O-N 2.9Å; V191-N280 HydrophobicContact CB-CB 4.16Å; V191-N280 HydrophobicContact CG2-CB 3.99Å; V191-N280 PolarHBondContact N-OD1 2.83Å
192	A	94.2	Very high	92.9	Very high	29 Å²	29	56.5 Å²	56.5	24%	0.24	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-65.4	142.7	178	0	0	0	0	0	111.1	Y206 P211	A192-Y206 WeakPolarHBondContact CA-OH 3.3Å; A192-P211 HydrophobicContact CB-CB 3.97Å
193	Y	95.1	Very high	92.7	Very high	27 Å²	27	60.3 Å²	60.3	11%	0.106	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-58.7	141.9	166.3	-75.1	-81.6	0	0	0	110	A198 I202 Y206 Y208 A278 Y279	Y193-A198 HydrophobicContact CD2-CB 4.07Å; Y193-A198 HydrophobicContact CG-CB 4.04Å; Y193-I202 HydrophobicContact CD2-CD1 4.42Å; Y193-I202 HydrophobicContact CE2-CD1 4.04Å; Y193-Y206 AromaticContact CD2-CE1 4Å; Y193-Y206 HydrophobicContact CD2-CE1 4Å; Y193-Y206 AromaticContact CD2-CE2 3.96Å; Y193-Y206 HydrophobicContact CD2-CE2 3.96Å; Y193-Y206 AromaticContact CD2-CZ 3.69Å; Y193-Y206 HydrophobicContact CE2-CE2 4.42Å; Y193-Y206 PolarHBondContact N-OH 2.77Å; Y193-Y208 WeakPolarHBondContact O-CD1 3.22Å; Y193-A278 PolarHBondContact OH-O 3.01Å; Y193-Y279 AromaticContact CD1-CD2 3.91Å; Y193-Y279 HydrophobicContact CD1-CD2 3.91Å; Y193-Y279 HydrophobicContact CE1-CD2 4.25Å
194	P	94.1	Very high	92.5	Very high	67 Å²	67	65.4 Å²	65.4	44%	0.435	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-51.2	150.2	161.5	-23.7	29.8	0	0	0	111.1	D196 S197 Y208 Y279	P194-D196 PolarHBondContact O-N 2.94Å; P194-S197 WeakPolarHBondContact CA-OG 3.35Å; P194-S197 WeakPolarHBondContact CB-OG 3.48Å; P194-S197 WeakPolarHBondContact CD-OG 3.37Å; P194-S197 WeakPolarHBondContact O-CB 3.4Å; P194-S197 PolarHBondContact O-N 3.02Å; P194-S197 PolarHBondContact O-OG 2.88Å; P194-Y208 WeakPolarHBondContact O-CD1 3.38Å; P194-Y208 WeakPolarHBondContact O-CE1 3.14Å; P194-Y279 HydrophobicContact CG-CD2 4.42Å; P194-Y279 HydrophobicContact CG-CE2 4.18Å
195	K	91.2	Very high	92.3	Very high	168 Å²	168	66 Å²	66	73%	0.73	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	131	-179.1	-167.7	179	177.1	175.9	0	111.1	S197	K195-S197 PolarHBondContact O-N 3.3Å; K195-S197 VanDerWaalsContact O-N 3.15Å
196	D	88.9	Confident	92.4	Very high	102 Å²	102	65.5 Å²	65.5	55%	0.545	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	13	-179.8	-55	-48.7	0	0	0	116.2	P194 Y208	P194-D196 PolarHBondContact O-N 2.94Å; D196-Y208 WeakPolarHBondContact CA-OH 3.46Å
197	S	94	Very high	92.4	Very high	53 Å²	53	67.1 Å²	67.1	37%	0.371	36%	0.362	S	S	.	.			trans	-101.9	0.9	178.9	73.9	0	0	0	0	114.6	P194 K195	P194-S197 WeakPolarHBondContact CA-OG 3.35Å; P194-S197 WeakPolarHBondContact CB-OG 3.48Å; P194-S197 WeakPolarHBondContact CD-OG 3.37Å; P194-S197 WeakPolarHBondContact O-CB 3.4Å; P194-S197 PolarHBondContact O-N 3.02Å; P194-S197 PolarHBondContact O-OG 2.88Å; K195-S197 PolarHBondContact O-N 3.3Å; K195-S197 VanDerWaalsContact O-N 3.15Å
198	A	93.2	Very high	92.5	Very high	5 Å²	5	67.3 Å²	67.3	4%	0.041	35%	0.349	C	S	.	.	S	Bend	trans	-67.5	145.4	175.4	0	0	0	0	0	110.4	Y193 I202 Y206 Y208	Y193-A198 HydrophobicContact CD2-CB 4.07Å; Y193-A198 HydrophobicContact CG-CB 4.04Å; A198-I202 HydrophobicContact CB-CD1 3.99Å; A198-I202 HydrophobicContact CB-CG1 4.23Å; A198-Y206 HydrophobicContact CB-CD1 4.2Å; A198-Y206 HydrophobicContact CB-CG 4.28Å; A198-Y208 HydrophobicContact CB-CE1 3.96Å; A198-Y208 VanDerWaalsContact CB-OH 3.27Å; A198-Y208 WeakPolarHBondContact CB-OH 3.35Å; A198-Y208 PolarHBondContact N-OH 3.37Å
199	P	94.4	Very high	92.3	Very high	47 Å²	47	73.1 Å²	73.1	31%	0.305	38%	0.382	S	S	.	.			trans	-56	146.1	174.5	-27.7	36.8	0	0	0	112.9	I201 I202 K203 Y277	P199-I201 HydrophobicContact CB-CG2 4.2Å; P199-I201 PolarHBondContact O-N 2.61Å; P199-I201 VanDerWaalsContact O-N 3.1Å; P199-I202 HydrophobicContact CB-CG1 4.46Å; P199-I202 WeakPolarHBondContact O-CG1 3.48Å; P199-I202 PolarHBondContact O-N 3.02Å; P199-K203 PolarHBondContact O-N 3.29Å; P199-Y277 HydrophobicContact CB-CD1 4.44Å; P199-Y277 HydrophobicContact CB-CE1 4.24Å; P199-Y277 HydrophobicContact CG-CD1 3.9Å; P199-Y277 HydrophobicContact CG-CE1 4.05Å
200	D	93.8	Very high	92.1	Very high	131 Å²	131	71.4 Å²	71.4	70%	0.701	38%	0.375	S	S	*	.	H	α-helix	trans	-54.9	-35.8	-173.3	-65.2	-38.4	0	0	0	113.1	I202 K203	D200-I202 VanDerWaalsContact C-N 3.25Å; D200-I202 PolarHBondContact O-N 3.15Å; D200-K203 PolarHBondContact O-N 3.44Å
201	I	92.8	Very high	91.9	Very high	84 Å²	84	72.7 Å²	72.7	43%	0.431	38%	0.383	S	S	.	.	H	α-helix	trans	-59.4	-28.7	179.3	-168.2	170	0	0	0	114.5	P199 A216 Y277	P199-I201 HydrophobicContact CB-CG2 4.2Å; P199-I201 PolarHBondContact O-N 2.61Å; P199-I201 VanDerWaalsContact O-N 3.1Å; I201-A216 HydrophobicContact CD1-CB 3.63Å; I201-A216 HydrophobicContact CG1-CB 3.79Å; I201-A216 HydrophobicContact CG2-CB 4.48Å; I201-Y277 HydrophobicContact CG2-CE1 4.13Å; I201-Y277 HydrophobicContact CG2-CE2 4.31Å
202	I	94	Very high	91.9	Very high	7 Å²	7	70.2 Å²	70.2	4%	0.036	37%	0.368	C	S	.	.	H	α-helix	trans	-112.7	-8.7	178.4	56.5	153.1	0	0	0	113.1	Y193 A198 P199 D200 E204 V205 Y206 A214 A216 Y277	Y193-I202 HydrophobicContact CD2-CD1 4.42Å; Y193-I202 HydrophobicContact CE2-CD1 4.04Å; A198-I202 HydrophobicContact CB-CD1 3.99Å; A198-I202 HydrophobicContact CB-CG1 4.23Å; P199-I202 HydrophobicContact CB-CG1 4.46Å; P199-I202 WeakPolarHBondContact O-CG1 3.48Å; P199-I202 PolarHBondContact O-N 3.02Å; D200-I202 VanDerWaalsContact C-N 3.25Å; D200-I202 PolarHBondContact O-N 3.15Å; I202-E204 PolarHBondContact O-N 3.43Å; I202-E204 VanDerWaalsContact O-N 3.08Å; I202-V205 PolarHBondContact O-N 3.03Å; I202-Y206 HydrophobicContact CD1-CD2 3.61Å; I202-Y206 HydrophobicContact CD1-CE2 4.31Å; I202-Y206 HydrophobicContact CD1-CG 4.03Å; I202-Y206 VanDerWaalsContact O-CB 3.25Å; I202-Y206 WeakPolarHBondContact O-CB 3.25Å; I202-Y206 PolarHBondContact O-N 3.45Å; I202-A214 HydrophobicContact CB-CB 4.25Å; I202-A214 HydrophobicContact CD1-CB 4.03Å; I202-A214 HydrophobicContact CG2-CB 3.93Å; I202-A216 HydrophobicContact CG2-CB 4.14Å; I202-Y277 HydrophobicContact CD1-CD1 4.34Å; I202-Y277 HydrophobicContact CD1-CG 3.97Å; I202-Y277 HydrophobicContact CG1-CG 4.37Å; I202-Y277 HydrophobicContact CG2-CD2 3.83Å; I202-Y277 HydrophobicContact CG2-CE2 4.25Å; I202-Y277 HydrophobicContact CG2-CG 4.15Å
203	K	91.1	Very high	92	Very high	86 Å²	86	68.8 Å²	68.8	37%	0.374	36%	0.356	S	S	.	.	H	α-helix	trans	-56.7	-32.9	-167.1	-173.1	173.1	-179.1	173.6	0	113.6	P199 D200	P199-K203 PolarHBondContact O-N 3.29Å; D200-K203 PolarHBondContact O-N 3.44Å
204	E	88.3	Confident	92	Very high	192 Å²	192	67.9 Å²	67.9	90%	0.897	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-29.5	-179.7	-60.1	-171.4	168.4	0	0	113.6	I202	I202-E204 PolarHBondContact O-N 3.43Å; I202-E204 VanDerWaalsContact O-N 3.08Å
205	V	88.7	Confident	92.2	Very high	85 Å²	85	65.1 Å²	65.1	52%	0.515	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-16.4	-174.6	-170.2	0	0	0	0	112	I202 N207 A236	I202-V205 PolarHBondContact O-N 3.03Å; V205-N207 PolarHBondContact O-N 3.49Å; V205-A236 HydrophobicContact CG1-CB 4.26Å; V205-A236 WeakPolarHBondContact CG1-O 3.2Å
206	Y	91.9	Very high	92.4	Very high	16 Å²	16	57.3 Å²	57.3	6%	0.063	30%	0.303	C	S	.	.			trans	-72.4	122.1	-175.8	-167.9	-94.2	0	0	0	112.3	A192 Y193 A198 I202 Y208 A214	A192-Y206 WeakPolarHBondContact CA-OH 3.3Å; Y193-Y206 AromaticContact CD2-CE1 4Å; Y193-Y206 HydrophobicContact CD2-CE1 4Å; Y193-Y206 AromaticContact CD2-CE2 3.96Å; Y193-Y206 HydrophobicContact CD2-CE2 3.96Å; Y193-Y206 AromaticContact CD2-CZ 3.69Å; Y193-Y206 HydrophobicContact CE2-CE2 4.42Å; Y193-Y206 PolarHBondContact N-OH 2.77Å; A198-Y206 HydrophobicContact CB-CD1 4.2Å; A198-Y206 HydrophobicContact CB-CG 4.28Å; I202-Y206 HydrophobicContact CD1-CD2 3.61Å; I202-Y206 HydrophobicContact CD1-CE2 4.31Å; I202-Y206 HydrophobicContact CD1-CG 4.03Å; I202-Y206 VanDerWaalsContact O-CB 3.25Å; I202-Y206 WeakPolarHBondContact O-CB 3.25Å; I202-Y206 PolarHBondContact O-N 3.45Å; Y206-Y208 AromaticContact CD1-CD1 3.9Å; Y206-Y208 HydrophobicContact CD1-CD1 3.9Å; Y206-Y208 HydrophobicContact CD1-CD2 4.3Å; Y206-Y208 AromaticContact CD1-CE1 3.93Å; Y206-Y208 HydrophobicContact CD1-CE1 3.93Å; Y206-Y208 HydrophobicContact CD1-CE2 4.32Å; Y206-Y208 HydrophobicContact CD1-CG 4.1Å; Y206-Y208 AromaticContact CE1-CD1 3.96Å; Y206-Y208 HydrophobicContact CE1-CD1 3.96Å; Y206-Y208 HydrophobicContact CE1-CE1 4.28Å; Y206-Y208 HydrophobicContact CE1-CG 4.33Å; Y206-A214 HydrophobicContact CD2-CB 3.81Å; Y206-A214 HydrophobicContact CE2-CB 4.28Å
207	N	91	Very high	92.8	Very high	71 Å²	71	52.9 Å²	52.9	38%	0.38	28%	0.28	S	S	.	.			trans	-89.7	112	174.1	-174.8	-16.8	0	0	0	110.2	V205 D209 Q210	V205-N207 PolarHBondContact O-N 3.49Å; N207-D209 VanDerWaalsContact C-N 3.31Å; N207-D209 PolarHBondContact O-N 2.88Å; N207-D209 WeakPolarHBondContact OD1-CB 3.3Å; N207-D209 PolarHBondContact OD1-N 3.01Å; N207-Q210 HydrophobicContact CB-CB 4.49Å; N207-Q210 PolarHBondContact O-N 3.36Å
208	Y	91.2	Very high	92.9	Very high	50 Å²	50	53.7 Å²	53.7	20%	0.196	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.7	-179.8	-65.2	-86.5	0	0	0	114.2	Y193 P194 D196 A198 Y206 Q210	Y193-Y208 WeakPolarHBondContact O-CD1 3.22Å; P194-Y208 WeakPolarHBondContact O-CD1 3.38Å; P194-Y208 WeakPolarHBondContact O-CE1 3.14Å; D196-Y208 WeakPolarHBondContact CA-OH 3.46Å; A198-Y208 HydrophobicContact CB-CE1 3.96Å; A198-Y208 VanDerWaalsContact CB-OH 3.27Å; A198-Y208 WeakPolarHBondContact CB-OH 3.35Å; A198-Y208 PolarHBondContact N-OH 3.37Å; Y206-Y208 AromaticContact CD1-CD1 3.9Å; Y206-Y208 HydrophobicContact CD1-CD1 3.9Å; Y206-Y208 HydrophobicContact CD1-CD2 4.3Å; Y206-Y208 AromaticContact CD1-CE1 3.93Å; Y206-Y208 HydrophobicContact CD1-CE1 3.93Å; Y206-Y208 HydrophobicContact CD1-CE2 4.32Å; Y206-Y208 HydrophobicContact CD1-CG 4.1Å; Y206-Y208 AromaticContact CE1-CD1 3.96Å; Y206-Y208 HydrophobicContact CE1-CD1 3.96Å; Y206-Y208 HydrophobicContact CE1-CE1 4.28Å; Y206-Y208 HydrophobicContact CE1-CG 4.33Å; Y208-Q210 VanDerWaalsContact C-N 3.28Å; Y208-Q210 PolarHBondContact O-N 3.38Å
209	D	88.2	Confident	93.1	Very high	141 Å²	141	53.8 Å²	53.8	75%	0.754	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-14.6	179.9	-60.5	-38.5	0	0	0	112.6	N207	N207-D209 VanDerWaalsContact C-N 3.31Å; N207-D209 PolarHBondContact O-N 2.88Å; N207-D209 WeakPolarHBondContact OD1-CB 3.3Å; N207-D209 PolarHBondContact OD1-N 3.01Å
210	Q	88.7	Confident	93.1	Very high	61 Å²	61	54 Å²	54	29%	0.285	28%	0.277	S	S	.	.	S	Bend	trans	-127.6	119.2	-175	-63.8	-71.4	-57	0	0	108.6	N207 Y208 N212 H241	N207-Q210 HydrophobicContact CB-CB 4.49Å; N207-Q210 PolarHBondContact O-N 3.36Å; Y208-Q210 VanDerWaalsContact C-N 3.28Å; Y208-Q210 PolarHBondContact O-N 3.38Å; Q210-N212 PolarHBondContact O-N 3.25Å; Q210-H241 PolarHBondContact OE1-CE1 3.19Å; Q210-H241 PolarHBondContact OE1-ND1 3.26Å
211	P	91	Very high	93.1	Very high	36 Å²	36	52.8 Å²	52.8	23%	0.234	27%	0.266	C	S	.	.			trans	-75.7	49.2	-177.1	31.1	-34.2	0	0	0	112.1	P190 A192 H241	P190-P211 WeakPolarHBondContact CB-O 3.47Å; P190-P211 WeakPolarHBondContact CG-O 3.24Å; A192-P211 HydrophobicContact CB-CB 3.97Å; P211-H241 HydrophobicContact CB-CB 4.44Å; P211-H241 HydrophobicContact CG-CB 3.81Å; P211-H241 WeakPolarHBondContact O-CB 3.34Å
212	N	94.1	Very high	93.2	Very high	16 Å²	16	56.1 Å²	56.1	9%	0.086	28%	0.278	C	S	.	.			trans	-70.4	154.2	177.1	-62.4	-25.1	0	0	0	110.1	Q210 A214 P240 H241	Q210-N212 PolarHBondContact O-N 3.25Å; N212-A214 PolarHBondContact O-N 3.06Å; N212-P240 WeakPolarHBondContact OD1-CA 3.42Å; N212-H241 PolarHBondContact OD1-N 3.34Å; N212-H241 PolarHBondContact OD1-ND1 2.93Å
213	V	95.9	Very high	93.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-90.2	104.6	173.3	-178.5	0	0	0	0	108.1	L182 W188 P190 G238 I239 F244 A276 I281	L182-V213 HydrophobicContact CD1-CB 4.22Å; L182-V213 HydrophobicContact CD1-CG1 3.83Å; L182-V213 HydrophobicContact CD1-CG2 3.85Å; W188-V213 HydrophobicContact CH2-CG2 3.95Å; W188-V213 HydrophobicContact CZ3-CG2 4.38Å; P190-V213 HydrophobicContact CB-CG2 3.65Å; P190-V213 HydrophobicContact CG-CG2 4.17Å; V213-G238 CarbonylContact O-C 3.43Å; V213-G238 WeakPolarHBondContact O-CA 3.25Å; V213-I239 HydrophobicContact CB-CB 4.16Å; V213-I239 PolarHBondContact N-O 2.86Å; V213-I239 PolarHBondContact O-N 3.47Å; V213-F244 HydrophobicContact CG2-CE2 4.31Å; V213-A276 HydrophobicContact CG1-CB 3.74Å; V213-I281 HydrophobicContact CG1-CD1 3.97Å
214	A	96.5	Very high	93.4	Very high	8 Å²	8	55.5 Å²	55.5	7%	0.066	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	154.5	172	0	0	0	0	0	110.5	I202 Y206 N212 A276 Y277	I202-A214 HydrophobicContact CB-CB 4.25Å; I202-A214 HydrophobicContact CD1-CB 4.03Å; I202-A214 HydrophobicContact CG2-CB 3.93Å; Y206-A214 HydrophobicContact CD2-CB 3.81Å; Y206-A214 HydrophobicContact CE2-CB 4.28Å; N212-A214 PolarHBondContact O-N 3.06Å; A214-A276 CarbonylContact O-C 3.56Å; A214-A276 WeakPolarHBondContact O-CA 3.25Å; A214-Y277 PolarHBondContact N-O 2.8Å; A214-Y277 PolarHBondContact O-N 3.33Å
215	V	96.7	Very high	93.7	Very high	8 Å²	8	48.8 Å²	48.8	5%	0.048	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.7	176.4	-68.1	0	0	0	0	108.5	M87 L180 Y233 A257 K275	M87-V215 HydrophobicContact CE-CG1 4.12Å; L180-V215 HydrophobicContact CD1-CB 4.19Å; L180-V215 HydrophobicContact CD1-CG1 4.48Å; L180-V215 HydrophobicContact CD1-CG2 4.32Å; V215-Y233 HydrophobicContact CG2-CD1 3.83Å; V215-Y233 HydrophobicContact CG2-CE1 4.43Å; V215-A257 HydrophobicContact CG2-CB 4.01Å; V215-K275 WeakPolarHBondContact CA-O 3.49Å
216	A	96.8	Very high	94	Very high	5 Å²	5	50.7 Å²	50.7	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	141.9	171	0	0	0	0	0	109.3	I201 I202 C274 K275 Y277	I201-A216 HydrophobicContact CD1-CB 3.63Å; I201-A216 HydrophobicContact CG1-CB 3.79Å; I201-A216 HydrophobicContact CG2-CB 4.48Å; I202-A216 HydrophobicContact CG2-CB 4.14Å; A216-C274 CarbonylContact O-C 3.49Å; A216-C274 WeakPolarHBondContact O-CA 3.31Å; A216-K275 PolarHBondContact N-O 3.47Å; A216-K275 PolarHBondContact O-N 3.26Å; A216-Y277 HydrophobicContact CB-CD2 4.43Å; A216-Y277 HydrophobicContact CB-CE2 3.76Å
217	C	97.1	Very high	94.2	Very high	9 Å²	9	53 Å²	53	6%	0.061	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.5	177	-55	0	0	0	0	109.5	L231 Y233 I272 E273 C274	C217-L231 HydrophobicContact CB-CD1 3.9Å; C217-Y233 PolarHBondContact N-OH 3.03Å; C217-Y233 PolarHBondContact O-OH 3.31Å; C217-I272 HydrophobicContact CB-CG2 4.12Å; C217-E273 VanDerWaalsContact CA-O 3.32Å; C217-E273 WeakPolarHBondContact CA-O 3.46Å; C217-C274 HydrophobicContact CB-CB 4.06Å; C217-C274 WeakPolarHBondContact CB-SG 3.35Å; C217-C274 WeakPolarHBondContact SG-CB 3.14Å; C217-C274 CovalentContact SG-SG 2.03Å; C217-C274 PolarHBondContact SG-SG 3.33Å
218	E	96	Very high	94.4	Very high	70 Å²	70	50.2 Å²	50.2	33%	0.327	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	162.1	177.5	60.8	-167.8	163.6	0	0	109.4	E273 K275	E218-E273 PolarHBondContact N-O 2.86Å; E218-E273 PolarHBondContact O-N 3.29Å; E218-K275 IonicContact OE1-NZ 2.75Å; E218-K275 PolarHBondContact OE1-NZ 3.06Å
219	G	96.3	Very high	94.5	Very high	7 Å²	7	49.4 Å²	49.4	7%	0.072	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	141	170.1	0	0	0	0	0	110.3	Q221 S225 E271	G219-Q221 VanDerWaalsContact C-N 3.27Å; G219-Q221 PolarHBondContact O-N 3.27Å; G219-S225 WeakPolarHBondContact CA-OG 3.3Å; G219-S225 PolarHBondContact N-OG 2.61Å; G219-S225 PolarHBondContact O-OG 2.84Å; G219-E271 WeakPolarHBondContact CA-O 3.25Å
220	E	94.4	Very high	94.8	Very high	52 Å²	52	49 Å²	49	24%	0.243	26%	0.256	C	S	.	.	S	Bend	trans	-64.8	-35.7	179.8	-174	161.6	161.1	0	0	111.8	E271 R285 H293	E220-E271 HydrophobicContact CB-CB 3.77Å; E220-E271 PolarHBondContact N-O 3.43Å; E220-R285 IonicContact OE1-CZ 2.7Å; E220-R285 IonicContact OE1-NE 2.96Å; E220-R285 IonicContact OE1-NH2 3.79Å; E220-R285 PolarHBondContact OE1-NH2 2.94Å; E220-H293 IonicContact OE2-CE1 2.61Å; E220-H293 PolarHBondContact OE2-CE1 3.28Å; E220-H293 VanDerWaalsContact OE2-CE1 3.27Å; E220-H293 IonicContact OE2-CG 2.82Å; E220-H293 IonicContact OE2-ND1 3.27Å; E220-H293 PolarHBondContact OE2-ND1 3Å
221	Q	94.7	Very high	95.2	Very high	104 Å²	104	47.7 Å²	47.7	49%	0.486	25%	0.251	S	S	.	.	S	Bend	trans	-111.4	164.4	172	-46.8	-179.1	14.7	0	0	110.7	G219 T223 D224 S225 E271	G219-Q221 VanDerWaalsContact C-N 3.27Å; G219-Q221 PolarHBondContact O-N 3.27Å; Q221-T223 PolarHBondContact O-N 3.28Å; Q221-D224 WeakPolarHBondContact CB-OD2 3.04Å; Q221-D224 WeakPolarHBondContact CG-OD2 3.32Å; Q221-D224 PolarHBondContact N-OD2 3.4Å; Q221-D224 PolarHBondContact O-N 3.18Å; Q221-S225 PolarHBondContact O-N 2.93Å; Q221-S225 VanDerWaalsContact O-N 3.1Å; Q221-S225 PolarHBondContact O-OG 2.97Å; Q221-E271 PolarHBondContact NE2-OE2 3.41Å
222	F	94.1	Very high	95.5	Very high	155 Å²	155	50.2 Å²	50.2	68%	0.68	26%	0.258	S	S	*	.	H	α-helix	trans	-59.4	-38.5	176.3	-178.7	-99.1	0	0	0	111.7	S225 E226	F222-S225 WeakPolarHBondContact O-CB 3.5Å; F222-S225 PolarHBondContact O-N 3.34Å; F222-E226 VanDerWaalsContact CE1-CD 3.48Å; F222-E226 HydrophobicContact CE1-CG 4.08Å; F222-E226 WeakPolarHBondContact CE1-OE1 3.27Å; F222-E226 HydrophobicContact CZ-CG 4.27Å; F222-E226 WeakPolarHBondContact CZ-OE1 3.12Å; F222-E226 PolarHBondContact O-N 3.41Å; F222-E226 VanDerWaalsContact O-N 3.17Å
223	T	94	Very high	95.6	Very high	70 Å²	70	52.1 Å²	52.1	43%	0.429	26%	0.264	S	S	.	.	H	α-helix	trans	-63	-42.5	176.1	45.4	0	0	0	0	112	Q221 S225 E226 H227	Q221-T223 PolarHBondContact O-N 3.28Å; T223-S225 VanDerWaalsContact C-N 3.27Å; T223-S225 PolarHBondContact O-N 3.44Å; T223-E226 PolarHBondContact O-N 2.69Å; T223-H227 PolarHBondContact O-N 3.45Å; T223-H227 PolarHBondContact O-ND1 2.86Å
224	D	96.4	Very high	95.6	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.053	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-39.9	176.7	-57.4	-60.5	0	0	0	111	Q221 E226 H227 I228 E271	Q221-D224 WeakPolarHBondContact CB-OD2 3.04Å; Q221-D224 WeakPolarHBondContact CG-OD2 3.32Å; Q221-D224 PolarHBondContact N-OD2 3.4Å; Q221-D224 PolarHBondContact O-N 3.18Å; D224-E226 VanDerWaalsContact C-N 3.28Å; D224-E226 PolarHBondContact O-N 2.96Å; D224-H227 PolarHBondContact O-N 3.46Å; D224-H227 VanDerWaalsContact O-N 3.08Å; D224-I228 WeakPolarHBondContact O-CB 3.27Å; D224-I228 PolarHBondContact O-N 3.45Å; D224-E271 WeakPolarHBondContact CB-O 3.29Å; D224-E271 PolarHBondContact OD1-N 2.91Å; D224-E271 VanDerWaalsContact OD1-N 3.1Å
225	S	93.9	Very high	95.5	Very high	51 Å²	51	52.8 Å²	52.8	36%	0.357	27%	0.268	S	S	.	.	H	α-helix	trans	-64.3	-30.2	179.1	-63.8	0	0	0	0	113.2	G219 Q221 F222 T223 I228	G219-S225 WeakPolarHBondContact CA-OG 3.3Å; G219-S225 PolarHBondContact N-OG 2.61Å; G219-S225 PolarHBondContact O-OG 2.84Å; Q221-S225 PolarHBondContact O-N 2.93Å; Q221-S225 VanDerWaalsContact O-N 3.1Å; Q221-S225 PolarHBondContact O-OG 2.97Å; F222-S225 WeakPolarHBondContact O-CB 3.5Å; F222-S225 PolarHBondContact O-N 3.34Å; T223-S225 VanDerWaalsContact C-N 3.27Å; T223-S225 PolarHBondContact O-N 3.44Å; S225-I228 WeakPolarHBondContact O-CG2 3.35Å
226	E	94.6	Very high	95.3	Very high	124 Å²	124	55.8 Å²	55.8	58%	0.579	29%	0.293	S	S	*	.	H	α-helix	trans	-74	-31.8	173.1	-69.4	-175	150.7	0	0	112.4	F222 T223 D224	F222-E226 VanDerWaalsContact CE1-CD 3.48Å; F222-E226 HydrophobicContact CE1-CG 4.08Å; F222-E226 WeakPolarHBondContact CE1-OE1 3.27Å; F222-E226 HydrophobicContact CZ-CG 4.27Å; F222-E226 WeakPolarHBondContact CZ-OE1 3.12Å; F222-E226 PolarHBondContact O-N 3.41Å; F222-E226 VanDerWaalsContact O-N 3.17Å; T223-E226 PolarHBondContact O-N 2.69Å; D224-E226 VanDerWaalsContact C-N 3.28Å; D224-E226 PolarHBondContact O-N 2.96Å
227	H	95.9	Very high	95	Very high	65 Å²	65	57.5 Å²	57.5	30%	0.301	31%	0.305	S	S	.	.	H	α-helix	trans	-97.1	-13.9	-173.4	-66.4	94.1	0	0	0	114.4	T223 D224 G229 S265 V268 L270	T223-H227 PolarHBondContact O-N 3.45Å; T223-H227 PolarHBondContact O-ND1 2.86Å; D224-H227 PolarHBondContact O-N 3.46Å; D224-H227 VanDerWaalsContact O-N 3.08Å; H227-G229 VanDerWaalsContact C-N 3.29Å; H227-G229 PolarHBondContact O-N 2.95Å; H227-S265 WeakPolarHBondContact CA-OG 3.34Å; H227-S265 PolarHBondContact CD2-OG 2.87Å; H227-S265 PolarHBondContact O-N 3.27Å; H227-S265 PolarHBondContact O-OG 3.49Å; H227-S265 VanDerWaalsContact O-OG 3.04Å; H227-V268 HydrophobicContact CB-CG1 4.31Å; H227-L270 HydrophobicContact CB-CD2 3.43Å; H227-L270 VanDerWaalsContact CB-CD2 3.43Å
228	I	95.7	Very high	94.9	Very high	12 Å²	12	57.1 Å²	57.1	6%	0.062	30%	0.303	C	S	.	.	S	Bend	trans	-64.3	-29.2	-178	-163.2	171.6	0	0	0	113.7	D224 S225 L231 F261 I272	D224-I228 WeakPolarHBondContact O-CB 3.27Å; D224-I228 PolarHBondContact O-N 3.45Å; S225-I228 WeakPolarHBondContact O-CG2 3.35Å; I228-L231 HydrophobicContact CD1-CD1 3.93Å; I228-L231 HydrophobicContact CD1-CD2 4.4Å; I228-L231 HydrophobicContact CG1-CD1 4.47Å; I228-L231 HydrophobicContact CG1-CD2 4.14Å; I228-F261 HydrophobicContact CD1-CE1 4.02Å; I228-F261 HydrophobicContact CG1-CD1 4.08Å; I228-F261 HydrophobicContact CG1-CE1 3.81Å; I228-I272 HydrophobicContact CD1-CG1 4.01Å; I228-I272 HydrophobicContact CD1-CG2 4.25Å; I228-I272 HydrophobicContact CG1-CG1 4.48Å
229	G	93.7	Very high	94.9	Very high	34 Å²	34	53.8 Å²	53.8	35%	0.351	29%	0.287	S	S	.	.			trans	73.2	-160.2	-179.4	0	0	0	0	0	114.6	H227 S263	H227-G229 VanDerWaalsContact C-N 3.29Å; H227-G229 PolarHBondContact O-N 2.95Å; G229-S263 WeakPolarHBondContact CA-O 3.49Å
230	E	95.5	Very high	94.8	Very high	133 Å²	133	54.1 Å²	54.1	62%	0.621	29%	0.288	S	S	*	.			trans	-79.3	133.4	-179.4	-168.7	-172.2	162.6	0	0	111	L262 S263	E230-L262 HydrophobicContact CB-CB 4.29Å; E230-L262 HydrophobicContact CB-CD1 4.21Å; E230-L262 HydrophobicContact CG-CD1 3.9Å; E230-L262 WeakPolarHBondContact O-CB 3.45Å; E230-L262 PolarHBondContact O-N 3.38Å; E230-S263 PolarHBondContact N-OG 3.44Å
231	L	96.3	Very high	94.7	Very high	33 Å²	33	52.9 Å²	52.9	17%	0.173	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.3	178.9	-60.8	-176.3	0	0	0	111.5	C217 I228 Y233 V259 K260 F261	C217-L231 HydrophobicContact CB-CD1 3.9Å; I228-L231 HydrophobicContact CD1-CD1 3.93Å; I228-L231 HydrophobicContact CD1-CD2 4.4Å; I228-L231 HydrophobicContact CG1-CD1 4.47Å; I228-L231 HydrophobicContact CG1-CD2 4.14Å; L231-Y233 HydrophobicContact CB-CE2 4.37Å; L231-V259 HydrophobicContact CB-CG2 4.25Å; L231-V259 HydrophobicContact CD1-CG2 4.23Å; L231-V259 HydrophobicContact CD2-CG2 4.12Å; L231-V259 HydrophobicContact CG-CG2 4.45Å; L231-K260 WeakPolarHBondContact CA-O 3.38Å; L231-F261 HydrophobicContact CD2-CB 4.44Å; L231-F261 HydrophobicContact CD2-CD1 3.35Å; L231-F261 HydrophobicContact CD2-CE1 3.57Å; L231-F261 HydrophobicContact CD2-CG 3.93Å; L231-F261 HydrophobicContact CD2-CZ 4.28Å
232	K	96.6	Very high	94.7	Very high	89 Å²	89	49.3 Å²	49.3	39%	0.387	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.3	173.1	-178.3	178.8	-179.4	-177.2	0	111.2	S161 K260 L262	S161-K232 PolarHBondContact OG-NZ 3.01Å; K232-K260 HydrophobicContact CB-CB 4.33Å; K232-K260 PolarHBondContact N-O 3.35Å; K232-K260 PolarHBondContact O-N 2.87Å; K232-L262 HydrophobicContact CB-CD1 4.11Å; K232-L262 HydrophobicContact CB-CG 4.33Å
233	Y	96.4	Very high	94.7	Very high	55 Å²	55	42 Å²	42	22%	0.216	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.3	178.7	-57	-78.8	0	0	0	112.1	V215 C217 L231 P235 A236 L258 V259	V215-Y233 HydrophobicContact CG2-CD1 3.83Å; V215-Y233 HydrophobicContact CG2-CE1 4.43Å; C217-Y233 PolarHBondContact N-OH 3.03Å; C217-Y233 PolarHBondContact O-OH 3.31Å; L231-Y233 HydrophobicContact CB-CE2 4.37Å; Y233-P235 CarbonylContact O-C 3.57Å; Y233-A236 PolarHBondContact O-N 3.42Å; Y233-L258 CarbonylContact C-O 3.46Å; Y233-L258 WeakPolarHBondContact CA-O 3.29Å; Y233-V259 HydrophobicContact CD1-CB 4.1Å; Y233-V259 HydrophobicContact CD1-CG2 4.13Å; Y233-V259 HydrophobicContact CE1-CB 4.08Å; Y233-V259 HydrophobicContact CE1-CG2 3.78Å
234	I	95.9	Very high	94.7	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	116.2	-175.3	-54.7	156.4	0	0	0	110.4	A157 I158 C163 A257 L258	A157-I234 HydrophobicContact CB-CG2 4.24Å; I158-I234 HydrophobicContact CG1-CG2 4.01Å; C163-I234 HydrophobicContact CB-CD1 4.31Å; C163-I234 WeakPolarHBondContact SG-CD1 3.41Å; I234-A257 CarbonylContact O-C 3.48Å; I234-A257 VanDerWaalsContact O-CA 3.29Å; I234-A257 WeakPolarHBondContact O-CA 3.43Å; I234-L258 HydrophobicContact CB-CB 4.27Å; I234-L258 HydrophobicContact CB-CD1 4.27Å; I234-L258 HydrophobicContact CD1-CB 4.35Å; I234-L258 HydrophobicContact CG2-CD1 4.34Å; I234-L258 PolarHBondContact N-O 2.03Å; I234-L258 PolarHBondContact O-N 2.78Å
235	P	94.3	Very high	94.5	Very high	19 Å²	19	39 Å²	39	12%	0.123	21%	0.213	C	C	.	.	S	Bend	cis	-67.8	162.9	-12.8	34.5	-35.8	0	0	0	110.3	Y233 S237 G238 P240	Y233-P235 CarbonylContact O-C 3.57Å; P235-S237 PolarHBondContact O-N 2.8Å; P235-S237 VanDerWaalsContact O-N 3.16Å; P235-G238 WeakPolarHBondContact CD-O 3.42Å; P235-G238 WeakPolarHBondContact CG-O 3.47Å; P235-G238 PolarHBondContact O-N 2.84Å; P235-P240 HydrophobicContact CG-CG 4.46Å
236	A	92.9	Very high	94.4	Very high	70 Å²	70	38.8 Å²	38.8	58%	0.579	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.9	-175.4	0	0	0	0	0	113.2	V205 Y233 G238	V205-A236 HydrophobicContact CG1-CB 4.26Å; V205-A236 WeakPolarHBondContact CG1-O 3.2Å; Y233-A236 PolarHBondContact O-N 3.42Å; A236-G238 PolarHBondContact O-N 3.08Å
237	S	91.5	Very high	94.2	Very high	42 Å²	42	36.1 Å²	36.1	29%	0.294	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-0.4	177.9	56	0	0	0	0	114.7	P235	P235-S237 PolarHBondContact O-N 2.8Å; P235-S237 VanDerWaalsContact O-N 3.16Å
238	G	94.1	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.			trans	79.6	-148.4	-175.4	0	0	0	0	0	113.3	V213 P235 A236 P240	V213-G238 CarbonylContact O-C 3.43Å; V213-G238 WeakPolarHBondContact O-CA 3.25Å; P235-G238 WeakPolarHBondContact CD-O 3.42Å; P235-G238 WeakPolarHBondContact CG-O 3.47Å; P235-G238 PolarHBondContact O-N 2.84Å; A236-G238 PolarHBondContact O-N 3.08Å; G238-P240 VanDerWaalsContact O-CD 3.27Å; G238-P240 WeakPolarHBondContact O-CD 3.48Å
239	I	95.7	Very high	93.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-80.8	119.3	-173.8	-52.6	-179.6	0	0	0	110.3	L182 V213 F244 P255 A257	L182-I239 HydrophobicContact CD1-CD1 4.34Å; L182-I239 HydrophobicContact CG-CD1 4.24Å; V213-I239 HydrophobicContact CB-CB 4.16Å; V213-I239 PolarHBondContact N-O 2.86Å; V213-I239 PolarHBondContact O-N 3.47Å; I239-F244 HydrophobicContact CG2-CE2 3.93Å; I239-F244 HydrophobicContact CG2-CZ 4.31Å; I239-P255 HydrophobicContact CG2-CB 3.49Å; I239-P255 VanDerWaalsContact CG2-CB 3.49Å; I239-P255 HydrophobicContact CG2-CG 3.69Å; I239-A257 HydrophobicContact CG1-CB 3.83Å
240	P	94.3	Very high	93.2	Very high	14 Å²	14	40.6 Å²	40.6	9%	0.091	20%	0.204	C	C	.	.			trans	-63.2	137.9	-179.1	-25.6	37	0	0	0	113.3	N212 P235 G238 K242 F243	N212-P240 WeakPolarHBondContact OD1-CA 3.42Å; P235-P240 HydrophobicContact CG-CG 4.46Å; G238-P240 VanDerWaalsContact O-CD 3.27Å; G238-P240 WeakPolarHBondContact O-CD 3.48Å; P240-K242 HydrophobicContact CB-CG 4Å; P240-K242 PolarHBondContact O-N 2.88Å; P240-F243 HydrophobicContact CB-CD2 4.01Å; P240-F243 HydrophobicContact CB-CE2 3.95Å; P240-F243 HydrophobicContact CG-CD2 4.37Å; P240-F243 HydrophobicContact CG-CE2 3.97Å; P240-F243 WeakPolarHBondContact O-CD2 3.33Å; P240-F243 PolarHBondContact O-N 3.45Å
241	H	93.3	Very high	93	Very high	26 Å²	26	36 Å²	36	12%	0.12	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-64.5	-23.6	-177.4	76.1	-78.5	0	0	0	113.8	P190 Q210 P211 N212 F243 F244	P190-H241 HydrophobicContact CG-CB 3.97Å; Q210-H241 PolarHBondContact OE1-CE1 3.19Å; Q210-H241 PolarHBondContact OE1-ND1 3.26Å; P211-H241 HydrophobicContact CB-CB 4.44Å; P211-H241 HydrophobicContact CG-CB 3.81Å; P211-H241 WeakPolarHBondContact O-CB 3.34Å; N212-H241 PolarHBondContact OD1-N 3.34Å; N212-H241 PolarHBondContact OD1-ND1 2.93Å; H241-F243 PolarHBondContact O-N 3.39Å; H241-F243 VanDerWaalsContact O-N 3.08Å; H241-F244 PolarHBondContact O-N 3.22Å
242	K	93	Very high	92.9	Very high	29 Å²	29	35 Å²	35	13%	0.126	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-55.6	-27.8	-179	64.6	-178.7	-174.7	177.4	0	114.4	C135 E140 N141 N142 D153 P240 F244	C135-K242 HydrophobicContact CB-CD 4.43Å; C135-K242 PolarHBondContact O-NZ 3.27Å; E140-K242 VanDerWaalsContact O-CB 3.29Å; E140-K242 WeakPolarHBondContact O-CB 3.43Å; N141-K242 VanDerWaalsContact CA-O 3.25Å; N141-K242 WeakPolarHBondContact CA-O 3.44Å; N141-K242 HydrophobicContact CB-CB 4.32Å; N141-K242 WeakPolarHBondContact CB-O 3.28Å; N142-K242 PolarHBondContact N-O 3.46Å; D153-K242 VanDerWaalsContact CG-NZ 3.3Å; D153-K242 IonicContact OD1-NZ 3.27Å; D153-K242 PolarHBondContact OD1-NZ 2.94Å; D153-K242 IonicContact OD2-NZ 2.61Å; D153-K242 PolarHBondContact OD2-NZ 2.81Å; P240-K242 HydrophobicContact CB-CG 4Å; P240-K242 PolarHBondContact O-N 2.88Å; K242-F244 PolarHBondContact O-N 3.02Å
243	F	94.5	Very high	92.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-78	-4.6	178.8	-61.1	-67.2	0	0	0	113.8	N142 C150 A151 F152 D153 P240 H241 Y252 P255	N142-F243 VanDerWaalsContact ND2-C 3.26Å; N142-F243 PolarHBondContact ND2-O 3.07Å; C150-F243 HydrophobicContact CB-CD1 3.97Å; C150-F243 HydrophobicContact CB-CE1 4.2Å; A151-F243 WeakPolarHBondContact O-CE1 3.35Å; F152-F243 HydrophobicContact CD2-CE1 4.41Å; F152-F243 HydrophobicContact CD2-CE2 4.33Å; F152-F243 HydrophobicContact CD2-CZ 4.01Å; D153-F243 WeakPolarHBondContact OD1-CZ 3.47Å; P240-F243 HydrophobicContact CB-CD2 4.01Å; P240-F243 HydrophobicContact CB-CE2 3.95Å; P240-F243 HydrophobicContact CG-CD2 4.37Å; P240-F243 HydrophobicContact CG-CE2 3.97Å; P240-F243 WeakPolarHBondContact O-CD2 3.33Å; P240-F243 PolarHBondContact O-N 3.45Å; H241-F243 PolarHBondContact O-N 3.39Å; H241-F243 VanDerWaalsContact O-N 3.08Å; F243-Y252 VanDerWaalsContact O-CE2 3.31Å; F243-Y252 WeakPolarHBondContact O-CE2 3.48Å; F243-Y252 PolarHBondContact O-OH 3.03Å; F243-P255 HydrophobicContact CB-CB 3.47Å; F243-P255 VanDerWaalsContact CB-CB 3.47Å; F243-P255 HydrophobicContact CB-CG 3.5Å; F243-P255 HydrophobicContact CD1-CB 4.35Å; F243-P255 HydrophobicContact CD2-CB 3.49Å; F243-P255 VanDerWaalsContact CD2-CB 3.49Å; F243-P255 HydrophobicContact CD2-CG 4.41Å; F243-P255 HydrophobicContact CE2-CB 4.3Å; F243-P255 HydrophobicContact CG-CB 3.52Å; F243-P255 HydrophobicContact CG-CG 4.16Å
244	F	94.2	Very high	92.7	Very high	15 Å²	15	29.6 Å²	29.6	7%	0.066	16%	0.156	C	C	.	.			trans	-108.4	152.7	177.3	-61.3	-81.4	0	0	0	111.1	N142 L182 W188 P190 V213 I239 H241 K242 P255	N142-F244 PolarHBondContact N-O 2.98Å; L182-F244 HydrophobicContact CD1-CZ 3.98Å; W188-F244 AromaticContact CE3-CD1 3.66Å; W188-F244 HydrophobicContact CE3-CD1 3.66Å; W188-F244 AromaticContact CE3-CE1 3.79Å; W188-F244 HydrophobicContact CE3-CE1 3.79Å; W188-F244 HydrophobicContact CE3-CG 4.36Å; W188-F244 AromaticContact CZ3-CD1 3.71Å; W188-F244 HydrophobicContact CZ3-CD1 3.71Å; W188-F244 HydrophobicContact CZ3-CD2 4.49Å; W188-F244 AromaticContact CZ3-CE1 3.55Å; W188-F244 HydrophobicContact CZ3-CE1 3.55Å; W188-F244 HydrophobicContact CZ3-CE2 4.36Å; W188-F244 HydrophobicContact CZ3-CG 4.18Å; W188-F244 AromaticContact CZ3-CZ 3.9Å; W188-F244 HydrophobicContact CZ3-CZ 3.9Å; P190-F244 HydrophobicContact CG-CD2 4.05Å; P190-F244 HydrophobicContact CG-CG 4.47Å; V213-F244 HydrophobicContact CG2-CE2 4.31Å; I239-F244 HydrophobicContact CG2-CE2 3.93Å; I239-F244 HydrophobicContact CG2-CZ 4.31Å; H241-F244 PolarHBondContact O-N 3.22Å; K242-F244 PolarHBondContact O-N 3.02Å; F244-P255 HydrophobicContact CE1-CG 4.37Å; F244-P255 HydrophobicContact CE2-CG 4Å; F244-P255 HydrophobicContact CZ-CG 3.77Å
245	P	93.4	Very high	92.7	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.013	16%	0.156	C	C	.	.			cis	-82.8	165.9	-1.1	34.1	-34.9	0	0	0	113.6	N142 S143 W188 K189 K247 M249	N142-P245 VanDerWaalsContact CB-O 3.31Å; N142-P245 WeakPolarHBondContact CB-O 3.44Å; S143-P245 WeakPolarHBondContact OG-CD 3.4Å; W188-P245 VanDerWaalsContact O-CA 3.23Å; W188-P245 WeakPolarHBondContact O-CA 3.31Å; W188-P245 VanDerWaalsContact O-CB 3.25Å; W188-P245 WeakPolarHBondContact O-CB 3.42Å; K189-P245 HydrophobicContact CD-CB 4.48Å; K189-P245 HydrophobicContact CD-CG 4.33Å; K189-P245 HydrophobicContact CG-CB 3.72Å; K189-P245 HydrophobicContact CG-CG 4.1Å; P245-K247 HydrophobicContact CG-CD 4.41Å; P245-K247 HydrophobicContact CG-CG 3.97Å; P245-M249 WeakPolarHBondContact O-CE 2.89Å
246	Y	91.8	Very high	92.8	Very high	47 Å²	47	28.7 Å²	28.7	18%	0.184	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-79.3	125.7	162.5	177.7	-120.2	0	0	0	110.1	K184 I186 G187 V248 Y252	K184-Y246 HydrophobicContact CB-CD1 3.98Å; K184-Y246 HydrophobicContact CB-CE1 4.3Å; K184-Y246 HydrophobicContact CB-CG 4.33Å; K184-Y246 HydrophobicContact CD-CE2 4.47Å; I186-Y246 CarbonylContact C-O 3.57Å; I186-Y246 WeakPolarHBondContact CA-O 3.41Å; I186-Y246 HydrophobicContact CG1-CD1 3.88Å; I186-Y246 HydrophobicContact CG1-CE1 3.99Å; G187-Y246 PolarHBondContact N-O 2.83Å; Y246-V248 HydrophobicContact CE1-CG2 4.16Å; Y246-Y252 AromaticContact CD2-CD1 3.44Å; Y246-Y252 HydrophobicContact CD2-CD1 3.44Å; Y246-Y252 VanDerWaalsContact CD2-CD1 3.44Å; Y246-Y252 AromaticContact CD2-CD2 3.93Å; Y246-Y252 HydrophobicContact CD2-CD2 3.93Å; Y246-Y252 AromaticContact CD2-CE1 3.77Å; Y246-Y252 HydrophobicContact CD2-CE1 3.77Å; Y246-Y252 HydrophobicContact CD2-CE2 4.23Å; Y246-Y252 AromaticContact CD2-CG 3.52Å; Y246-Y252 HydrophobicContact CD2-CG 3.52Å; Y246-Y252 AromaticContact CE2-CD1 3.78Å; Y246-Y252 HydrophobicContact CE2-CD1 3.78Å; Y246-Y252 AromaticContact CE2-CG 3.81Å; Y246-Y252 HydrophobicContact CE2-CG 3.81Å; Y246-Y252 HydrophobicContact CG-CD1 4.39Å; Y246-Y252 HydrophobicContact CG-CE1 4.33Å
247	K	89.5	Confident	93	Very high	69 Å²	69	25.3 Å²	25.3	30%	0.3	12%	0.122	S	C	.	.			trans	-122.5	25.6	-177.9	-61.8	-178.9	175.5	177.2	0	113.4	N142 S143 Q144 P245 M249	N142-K247 WeakPolarHBondContact O-CE 3.18Å; N142-K247 PolarHBondContact O-NZ 2.73Å; S143-K247 PolarHBondContact O-NZ 3.43Å; Q144-K247 PolarHBondContact O-NZ 3.46Å; P245-K247 HydrophobicContact CG-CD 4.41Å; P245-K247 HydrophobicContact CG-CG 3.97Å; K247-M249 HydrophobicContact CB-CE 4.14Å; K247-M249 HydrophobicContact CB-CG 4.07Å; K247-M249 HydrophobicContact CB-SD 4.39Å; K247-M249 PolarHBondContact O-N 3.49Å
248	V	88	Confident	93.3	Very high	39 Å²	39	23.4 Å²	23.4	24%	0.236	11%	0.109	C	C	.	.	S	Bend	trans	56	41.2	-172.7	-160.3	0	0	0	0	111.5	K70 V71 I186 Y246	K70-V248 HydrophobicContact CG-CB 4.22Å; K70-V248 HydrophobicContact CG-CG1 4.14Å; K70-V248 WeakPolarHBondContact O-CG1 3.39Å; V71-V248 HydrophobicContact CG1-CG2 3.99Å; I186-V248 HydrophobicContact CD1-CG2 3.69Å; I186-V248 HydrophobicContact CG1-CG2 3.94Å; I186-V248 HydrophobicContact CG2-CG2 4.47Å; Y246-V248 HydrophobicContact CE1-CG2 4.16Å
249	M	88.7	Confident	93.5	Very high	11 Å²	11	23.4 Å²	23.4	5%	0.054	11%	0.109	C	C	.	.			trans	-75.4	148.3	176.7	-65.8	166.8	-75.7	0	0	110.1	N142 D147 A149 P245 K247 Y252	N142-M249 HydrophobicContact CB-CE 3.87Å; N142-M249 HydrophobicContact CB-SD 4.39Å; D147-M249 WeakPolarHBondContact O-CB 3.41Å; A149-M249 HydrophobicContact CB-CB 4.14Å; A149-M249 HydrophobicContact CB-CE 4.09Å; A149-M249 HydrophobicContact CB-SD 3.9Å; P245-M249 WeakPolarHBondContact O-CE 2.89Å; K247-M249 HydrophobicContact CB-CE 4.14Å; K247-M249 HydrophobicContact CB-CG 4.07Å; K247-M249 HydrophobicContact CB-SD 4.39Å; K247-M249 PolarHBondContact O-N 3.49Å; M249-Y252 HydrophobicContact CE-CD2 3.73Å; M249-Y252 HydrophobicContact CE-CE2 4.06Å
250	K	88.4	Confident	93.6	Very high	154 Å²	154	24.1 Å²	24.1	67%	0.67	11%	0.112	S	C	*	.	B	Isolated β-bridge	trans	-63.2	145.2	171.9	-68.6	-175.8	-177.4	177.8	0	109.7	D131 Y252	D131-K250 HydrophobicContact CB-CB 4.08Å; K250-Y252 PolarHBondContact O-N 3.2Å
251	N	91.2	Very high	93.7	Very high	38 Å²	38	23.5 Å²	23.5	20%	0.203	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.7	42	-178.9	-161.5	28.6	0	0	0	115.1	N128 N130 D131 T132 H253	N128-N251 PolarHBondContact O-ND2 2.92Å; N130-N251 WeakPolarHBondContact O-CB 3.14Å; N130-N251 PolarHBondContact O-ND2 2.79Å; D131-N251 HydrophobicContact CB-CB 4.19Å; T132-N251 HydrophobicContact CG2-CB 4.29Å; T132-N251 WeakPolarHBondContact CG2-ND2 3.41Å; N251-H253 PolarHBondContact ND2-NE2 3.07Å; N251-H253 PolarHBondContact O-CD2 3.21Å; N251-H253 VanDerWaalsContact O-CD2 3.25Å; N251-H253 PolarHBondContact O-N 3.42Å
252	Y	94	Very high	93.9	Very high	10 Å²	10	24.9 Å²	24.9	4%	0.039	12%	0.116	C	C	.	.			trans	-62.4	112.2	175.9	177	-104.5	0	0	0	111.5	A149 K184 F243 Y246 M249 K250 Q254 P255	A149-Y252 HydrophobicContact CB-CD2 3.76Å; K184-Y252 HydrophobicContact CD-CD1 4.11Å; K184-Y252 HydrophobicContact CD-CE1 4.22Å; K184-Y252 HydrophobicContact CG-CE1 4.29Å; F243-Y252 VanDerWaalsContact O-CE2 3.31Å; F243-Y252 WeakPolarHBondContact O-CE2 3.48Å; F243-Y252 PolarHBondContact O-OH 3.03Å; Y246-Y252 AromaticContact CD2-CD1 3.44Å; Y246-Y252 HydrophobicContact CD2-CD1 3.44Å; Y246-Y252 VanDerWaalsContact CD2-CD1 3.44Å; Y246-Y252 AromaticContact CD2-CD2 3.93Å; Y246-Y252 HydrophobicContact CD2-CD2 3.93Å; Y246-Y252 AromaticContact CD2-CE1 3.77Å; Y246-Y252 HydrophobicContact CD2-CE1 3.77Å; Y246-Y252 HydrophobicContact CD2-CE2 4.23Å; Y246-Y252 AromaticContact CD2-CG 3.52Å; Y246-Y252 HydrophobicContact CD2-CG 3.52Å; Y246-Y252 AromaticContact CE2-CD1 3.78Å; Y246-Y252 HydrophobicContact CE2-CD1 3.78Å; Y246-Y252 AromaticContact CE2-CG 3.81Å; Y246-Y252 HydrophobicContact CE2-CG 3.81Å; Y246-Y252 HydrophobicContact CG-CD1 4.39Å; Y246-Y252 HydrophobicContact CG-CE1 4.33Å; M249-Y252 HydrophobicContact CE-CD2 3.73Å; M249-Y252 HydrophobicContact CE-CE2 4.06Å; K250-Y252 PolarHBondContact O-N 3.2Å; Y252-Q254 HydrophobicContact CE1-CB 4.24Å; Y252-Q254 PolarHBondContact O-N 2.83Å; Y252-P255 VanDerWaalsContact OH-CD 3.29Å; Y252-P255 WeakPolarHBondContact OH-CD 3.37Å
253	H	94.5	Very high	94	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.131	C	C	.	.			trans	-73.6	104.2	170.6	-73.8	-160.4	0	0	0	108.6	Y126 N128 F152 N251 P255	Y126-H253 HydrophobicContact CD1-CB 3.93Å; Y126-H253 AromaticContact CD1-CG 3.83Å; Y126-H253 AromaticContact CD1-ND1 3.75Å; Y126-H253 HydrophobicContact CE1-CB 3.95Å; Y126-H253 PolarHBondContact O-CE1 3.02Å; N128-H253 PolarHBondContact O-CE1 2.7Å; N128-H253 PolarHBondContact O-NE2 3.29Å; F152-H253 HydrophobicContact CB-CB 3.99Å; F152-H253 PolarHBondContact N-ND1 2.92Å; N251-H253 PolarHBondContact ND2-NE2 3.07Å; N251-H253 PolarHBondContact O-CD2 3.21Å; N251-H253 VanDerWaalsContact O-CD2 3.25Å; N251-H253 PolarHBondContact O-N 3.42Å; H253-P255 WeakPolarHBondContact O-CD 3.47Å
254	Q	94.6	Very high	94	Very high	32 Å²	32	27.2 Å²	27.2	15%	0.15	14%	0.135	C	C	.	.			trans	-65.2	121.9	177	-173.5	175.5	-6.6	0	0	108.5	Y126 L182 K184 Y252	Y126-Q254 VanDerWaalsContact CE1-O 3.22Å; Y126-Q254 WeakPolarHBondContact CE1-O 3.24Å; Y126-Q254 PolarHBondContact OH-O 2.87Å; L182-Q254 PolarHBondContact O-NE2 3.43Å; K184-Q254 VanDerWaalsContact CE-CD 3.43Å; K184-Q254 HydrophobicContact CG-CG 4.26Å; Y252-Q254 HydrophobicContact CE1-CB 4.24Å; Y252-Q254 PolarHBondContact O-N 2.83Å
255	P	95.5	Very high	94.1	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.013	15%	0.145	C	C	.	.			trans	-74.1	150.8	-177	37.4	-41.7	0	0	0	110	I239 F243 F244 Y252 H253	I239-P255 HydrophobicContact CG2-CB 3.49Å; I239-P255 VanDerWaalsContact CG2-CB 3.49Å; I239-P255 HydrophobicContact CG2-CG 3.69Å; F243-P255 HydrophobicContact CB-CB 3.47Å; F243-P255 VanDerWaalsContact CB-CB 3.47Å; F243-P255 HydrophobicContact CB-CG 3.5Å; F243-P255 HydrophobicContact CD1-CB 4.35Å; F243-P255 HydrophobicContact CD2-CB 3.49Å; F243-P255 VanDerWaalsContact CD2-CB 3.49Å; F243-P255 HydrophobicContact CD2-CG 4.41Å; F243-P255 HydrophobicContact CE2-CB 4.3Å; F243-P255 HydrophobicContact CG-CB 3.52Å; F243-P255 HydrophobicContact CG-CG 4.16Å; F244-P255 HydrophobicContact CE1-CG 4.37Å; F244-P255 HydrophobicContact CE2-CG 4Å; F244-P255 HydrophobicContact CZ-CG 3.77Å; Y252-P255 VanDerWaalsContact OH-CD 3.29Å; Y252-P255 WeakPolarHBondContact OH-CD 3.37Å; H253-P255 WeakPolarHBondContact O-CD 3.47Å
256	F	96.9	Very high	94.1	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.9	-179.9	64.1	-94.3	0	0	0	110.3	F122 Y123 Y126 F152 F155 I158 V179 L180 T181 L258	F122-F256 AromaticContact CE1-CD1 3.89Å; F122-F256 HydrophobicContact CE1-CD1 3.89Å; F122-F256 AromaticContact CE1-CE1 3.88Å; F122-F256 HydrophobicContact CE1-CE1 3.88Å; F122-F256 HydrophobicContact CE1-CG 4.31Å; F122-F256 HydrophobicContact CE1-CZ 4.28Å; F122-F256 HydrophobicContact CZ-CD1 4.11Å; F122-F256 HydrophobicContact CZ-CE1 4.5Å; Y123-F256 HydrophobicContact CE2-CZ 4.33Å; Y126-F256 HydrophobicContact CD1-CE1 4.26Å; Y126-F256 HydrophobicContact CD2-CE1 4.37Å; Y126-F256 HydrophobicContact CE1-CD1 4.07Å; Y126-F256 AromaticContact CE1-CE1 3.83Å; Y126-F256 HydrophobicContact CE1-CE1 3.83Å; Y126-F256 HydrophobicContact CE2-CD1 4.4Å; Y126-F256 AromaticContact CE2-CE1 3.98Å; Y126-F256 HydrophobicContact CE2-CE1 3.98Å; Y126-F256 AromaticContact CZ-CD1 3.79Å; Y126-F256 AromaticContact CZ-CE1 3.68Å; F152-F256 AromaticContact CD1-CE1 3.87Å; F152-F256 HydrophobicContact CD1-CE1 3.87Å; F152-F256 HydrophobicContact CD1-CZ 4.09Å; F152-F256 HydrophobicContact CD2-CD1 4.34Å; F152-F256 HydrophobicContact CD2-CE1 4.27Å; F152-F256 HydrophobicContact CE1-CD1 4.22Å; F152-F256 AromaticContact CE1-CE1 3.42Å; F152-F256 HydrophobicContact CE1-CE1 3.42Å; F152-F256 VanDerWaalsContact CE1-CE1 3.42Å; F152-F256 AromaticContact CE1-CE2 3.95Å; F152-F256 HydrophobicContact CE1-CE2 3.95Å; F152-F256 AromaticContact CE1-CZ 3.26Å; F152-F256 HydrophobicContact CE1-CZ 3.26Å; F152-F256 AromaticContact CE2-CD1 3.83Å; F152-F256 HydrophobicContact CE2-CD1 3.83Å; F152-F256 AromaticContact CE2-CE1 3.87Å; F152-F256 HydrophobicContact CE2-CE1 3.87Å; F152-F256 HydrophobicContact CE2-CG 4.19Å; F152-F256 HydrophobicContact CE2-CZ 4.27Å; F152-F256 HydrophobicContact CG-CE1 4.25Å; F152-F256 AromaticContact CZ-CD1 3.73Å; F152-F256 HydrophobicContact CZ-CD1 3.73Å; F152-F256 AromaticContact CZ-CD2 3.95Å; F152-F256 HydrophobicContact CZ-CD2 3.95Å; F152-F256 AromaticContact CZ-CE1 3.39Å; F152-F256 HydrophobicContact CZ-CE1 3.39Å; F152-F256 AromaticContact CZ-CE2 3.64Å; F152-F256 HydrophobicContact CZ-CE2 3.64Å; F152-F256 HydrophobicContact CZ-CG 4Å; F152-F256 AromaticContact CZ-CZ 3.36Å; F152-F256 HydrophobicContact CZ-CZ 3.36Å; F155-F256 HydrophobicContact CE1-CZ 4.34Å; I158-F256 HydrophobicContact CD1-CE2 3.71Å; I158-F256 HydrophobicContact CD1-CZ 4.02Å; V179-F256 HydrophobicContact CG1-CB 3.75Å; V179-F256 HydrophobicContact CG1-CD2 3.7Å; V179-F256 HydrophobicContact CG1-CE2 4.45Å; V179-F256 HydrophobicContact CG1-CG 3.83Å; V179-F256 HydrophobicContact CG2-CD2 4.33Å; V179-F256 HydrophobicContact CG2-CE2 4.4Å; L180-F256 VanDerWaalsContact O-CA 3.27Å; L180-F256 WeakPolarHBondContact O-CA 3.43Å; L180-F256 WeakPolarHBondContact O-CB 3.38Å; T181-F256 HydrophobicContact CG2-CB 3.92Å; F256-L258 HydrophobicContact CD2-CD1 4.18Å; F256-L258 HydrophobicContact CD2-CG 4.5Å; F256-L258 HydrophobicContact CE2-CD1 3.92Å; F256-L258 HydrophobicContact CE2-CG 4.47Å
257	A	96.9	Very high	94.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	165.9	166.4	0	0	0	0	0	108.5	L180 V215 I234 I239	L180-A257 PolarHBondContact N-O 2.72Å; L180-A257 PolarHBondContact O-N 3.19Å; V215-A257 HydrophobicContact CG2-CB 4.01Å; I234-A257 CarbonylContact O-C 3.48Å; I234-A257 VanDerWaalsContact O-CA 3.29Å; I234-A257 WeakPolarHBondContact O-CA 3.43Å; I239-A257 HydrophobicContact CG1-CB 3.83Å
258	L	97.6	Very high	94.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	149.5	166	-56.7	95.5	0	0	0	110.9	I158 C163 C177 I178 V179 Y233 I234 F256	I158-L258 HydrophobicContact CB-CD1 4.47Å; I158-L258 HydrophobicContact CD1-CD1 3.6Å; I158-L258 HydrophobicContact CG1-CD1 3.52Å; I158-L258 HydrophobicContact CG2-CD1 4.23Å; C163-L258 HydrophobicContact CB-CD2 4.12Å; C177-L258 HydrophobicContact CB-CD2 3.78Å; I178-L258 CarbonylContact O-C 3.48Å; I178-L258 VanDerWaalsContact O-CA 3.22Å; I178-L258 WeakPolarHBondContact O-CA 3.45Å; V179-L258 HydrophobicContact CG2-CD2 3.94Å; V179-L258 HydrophobicContact CG2-CG 4.16Å; Y233-L258 CarbonylContact C-O 3.46Å; Y233-L258 WeakPolarHBondContact CA-O 3.29Å; I234-L258 HydrophobicContact CB-CB 4.27Å; I234-L258 HydrophobicContact CB-CD1 4.27Å; I234-L258 HydrophobicContact CD1-CB 4.35Å; I234-L258 HydrophobicContact CG2-CD1 4.34Å; I234-L258 PolarHBondContact N-O 2.03Å; I234-L258 PolarHBondContact O-N 2.78Å; F256-L258 HydrophobicContact CD2-CD1 4.18Å; F256-L258 HydrophobicContact CD2-CG 4.5Å; F256-L258 HydrophobicContact CE2-CD1 3.92Å; F256-L258 HydrophobicContact CE2-CG 4.47Å
259	V	97.7	Very high	95	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.3	160.3	58.1	0	0	0	0	107.7	C177 I178 L180 L231 Y233 F261	C177-V259 WeakPolarHBondContact CA-O 3.29Å; I178-V259 HydrophobicContact CB-CG1 3.95Å; I178-V259 PolarHBondContact N-O 2.9Å; I178-V259 PolarHBondContact O-N 2.76Å; L180-V259 HydrophobicContact CD1-CB 4.28Å; L180-V259 HydrophobicContact CD1-CG1 3.99Å; L180-V259 HydrophobicContact CG-CG1 4.21Å; L231-V259 HydrophobicContact CB-CG2 4.25Å; L231-V259 HydrophobicContact CD1-CG2 4.23Å; L231-V259 HydrophobicContact CD2-CG2 4.12Å; L231-V259 HydrophobicContact CG-CG2 4.45Å; Y233-V259 HydrophobicContact CD1-CB 4.1Å; Y233-V259 HydrophobicContact CD1-CG2 4.13Å; Y233-V259 HydrophobicContact CE1-CB 4.08Å; Y233-V259 HydrophobicContact CE1-CG2 3.78Å; V259-F261 HydrophobicContact CG1-CE2 3.84Å; V259-F261 HydrophobicContact CG1-CZ 4.26Å; V259-F261 HydrophobicContact CG2-CE2 4.23Å; V259-F261 HydrophobicContact CG2-CZ 4.36Å
260	K	97.7	Very high	95.4	Very high	17 Å²	17	33.7 Å²	33.7	7%	0.074	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.2	174.1	-178	177.6	-169.7	174.9	0	108.9	S161 L231 K232 L262	S161-K260 PolarHBondContact O-NZ 2.94Å; L231-K260 WeakPolarHBondContact CA-O 3.38Å; K232-K260 HydrophobicContact CB-CB 4.33Å; K232-K260 PolarHBondContact N-O 3.35Å; K232-K260 PolarHBondContact O-N 2.87Å; K260-L262 HydrophobicContact CD-CD2 3.81Å; K260-L262 HydrophobicContact CG-CD2 4.06Å
261	F	97.3	Very high	95.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	108.6	174.7	-65	-97.1	0	0	0	108.3	T175 P176 I178 I228 L231 V259 P264 I272 F294 L296	T175-F261 CarbonylContact C-O 3.35Å; T175-F261 WeakPolarHBondContact CA-O 3.41Å; T175-F261 WeakPolarHBondContact CB-O 3.32Å; P176-F261 HydrophobicContact CG-CB 4.34Å; P176-F261 HydrophobicContact CG-CD2 4.34Å; P176-F261 PolarHBondContact O-N 3.33Å; P176-F261 VanDerWaalsContact O-N 3.14Å; I178-F261 HydrophobicContact CB-CE2 4.31Å; I178-F261 HydrophobicContact CG1-CD2 4.15Å; I178-F261 HydrophobicContact CG1-CE2 3.65Å; I228-F261 HydrophobicContact CD1-CE1 4.02Å; I228-F261 HydrophobicContact CG1-CD1 4.08Å; I228-F261 HydrophobicContact CG1-CE1 3.81Å; L231-F261 HydrophobicContact CD2-CB 4.44Å; L231-F261 HydrophobicContact CD2-CD1 3.35Å; L231-F261 HydrophobicContact CD2-CE1 3.57Å; L231-F261 HydrophobicContact CD2-CG 3.93Å; L231-F261 HydrophobicContact CD2-CZ 4.28Å; V259-F261 HydrophobicContact CG1-CE2 3.84Å; V259-F261 HydrophobicContact CG1-CZ 4.26Å; V259-F261 HydrophobicContact CG2-CE2 4.23Å; V259-F261 HydrophobicContact CG2-CZ 4.36Å; F261-P264 HydrophobicContact CB-CG 4.22Å; F261-I272 HydrophobicContact CD1-CD1 4.41Å; F261-I272 HydrophobicContact CE1-CD1 3.45Å; F261-I272 VanDerWaalsContact CE1-CD1 3.45Å; F261-I272 HydrophobicContact CE1-CG1 4.2Å; F261-I272 HydrophobicContact CE1-CG2 4.46Å; F261-I272 HydrophobicContact CZ-CD1 3.64Å; F261-I272 HydrophobicContact CZ-CG1 4.49Å; F261-I272 HydrophobicContact CZ-CG2 4.21Å; F261-F294 HydrophobicContact CE2-CE2 4.17Å; F261-F294 HydrophobicContact CE2-CZ 4.1Å; F261-F294 AromaticContact CZ-CE2 3.92Å; F261-F294 HydrophobicContact CZ-CE2 3.92Å; F261-F294 AromaticContact CZ-CZ 3.81Å; F261-F294 HydrophobicContact CZ-CZ 3.81Å; F261-L296 HydrophobicContact CB-CD2 4.38Å; F261-L296 HydrophobicContact CD1-CD2 3.88Å; F261-L296 HydrophobicContact CD2-CD2 4.23Å; F261-L296 HydrophobicContact CE1-CD2 4.25Å; F261-L296 HydrophobicContact CG-CD2 3.89Å
262	L	96.3	Very high	96.1	Very high	56 Å²	56	26.9 Å²	26.9	29%	0.293	16%	0.158	S	C	.	.	S	Bend	trans	-83.5	-35.4	-175	-63	175.2	0	0	0	112.5	T175 E230 K232 K260	T175-L262 WeakPolarHBondContact CG2-O 3.33Å; E230-L262 HydrophobicContact CB-CB 4.29Å; E230-L262 HydrophobicContact CB-CD1 4.21Å; E230-L262 HydrophobicContact CG-CD1 3.9Å; E230-L262 WeakPolarHBondContact O-CB 3.45Å; E230-L262 PolarHBondContact O-N 3.38Å; K232-L262 HydrophobicContact CB-CD1 4.11Å; K232-L262 HydrophobicContact CB-CG 4.33Å; K260-L262 HydrophobicContact CD-CD2 3.81Å; K260-L262 HydrophobicContact CG-CD2 4.06Å
263	S	94.4	Very high	96.2	Very high	65 Å²	65	27 Å²	27	46%	0.455	16%	0.159	S	C	.	.	S	Bend	trans	-145.6	53.7	-174	52.2	0	0	0	0	113.7	G229 E230	G229-S263 WeakPolarHBondContact CA-O 3.49Å; E230-S263 PolarHBondContact N-OG 3.44Å
264	P	95.6	Very high	96.3	Very high	12 Å²	12	27 Å²	27	8%	0.078	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-64.4	141.2	173.3	30.2	-33.9	0	0	0	110.2	F261 E266 L270 L296 V298	F261-P264 HydrophobicContact CB-CG 4.22Å; P264-E266 PolarHBondContact O-N 3.22Å; P264-L270 HydrophobicContact CB-CD1 3.93Å; P264-L296 HydrophobicContact CB-CD2 4.35Å; P264-V298 HydrophobicContact CB-CG2 4.49Å; P264-V298 HydrophobicContact CG-CG2 4.03Å
265	S	95.5	Very high	96.5	Very high	40 Å²	40	27.1 Å²	27.1	28%	0.28	16%	0.159	S	C	.	.	P	Polyproline II helix	trans	-65	132.1	176.3	-59.9	0	0	0	0	110.7	H227	H227-S265 WeakPolarHBondContact CA-OG 3.34Å; H227-S265 PolarHBondContact CD2-OG 2.87Å; H227-S265 PolarHBondContact O-N 3.27Å; H227-S265 PolarHBondContact O-OG 3.49Å; H227-S265 VanDerWaalsContact O-OG 3.04Å
266	E	94.9	Very high	96.5	Very high	101 Å²	101	27 Å²	27	47%	0.472	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	143.2	-178.2	-64.5	176.9	-179.3	0	0	111.6	K106 P264 V268 V298	K106-E266 WeakPolarHBondContact CE-OE1 3.01Å; K106-E266 IonicContact NZ-OE1 3.47Å; K106-E266 PolarHBondContact NZ-OE1 2.83Å; P264-E266 PolarHBondContact O-N 3.22Å; E266-V268 PolarHBondContact O-N 3.44Å; E266-V298 CarbonylContact C-O 3.47Å; E266-V298 WeakPolarHBondContact CA-O 3.07Å
267	G	94.7	Very high	96.5	Very high	49 Å²	49	27.7 Å²	27.7	51%	0.505	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	10.5	177.7	0	0	0	0	0	115.2	V298	G267-V298 PolarHBondContact N-O 2.77Å
268	V	95.3	Very high	96.5	Very high	46 Å²	46	27.7 Å²	27.7	28%	0.279	16%	0.161	S	C	.	.			trans	-112.2	130.4	176.3	-178.6	0	0	0	0	109.1	H227 E266 L270 L297	H227-V268 HydrophobicContact CB-CG1 4.31Å; E266-V268 PolarHBondContact O-N 3.44Å; V268-L270 HydrophobicContact CG1-CD2 4.16Å; V268-L270 PolarHBondContact O-N 3.3Å; V268-L297 WeakPolarHBondContact O-CD1 3.36Å
269	L	96.7	Very high	96.3	Very high	81 Å²	81	34.4 Å²	34.4	42%	0.424	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	118.4	171.2	179.4	66.3	0	0	0	108.5	L101 E295 L297	L101-L269 HydrophobicContact CD1-CD1 3.47Å; L101-L269 VanDerWaalsContact CD1-CD1 3.47Å; L269-E295 HydrophobicContact CD1-CB 4.07Å; L269-L297 HydrophobicContact CD1-CB 4.03Å
270	L	97	Very high	96.1	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.7	-179.5	-58.3	171.3	0	0	0	110.4	H227 P264 V268 I272 E295 L296	H227-L270 HydrophobicContact CB-CD2 3.43Å; H227-L270 VanDerWaalsContact CB-CD2 3.43Å; P264-L270 HydrophobicContact CB-CD1 3.93Å; V268-L270 HydrophobicContact CG1-CD2 4.16Å; V268-L270 PolarHBondContact O-N 3.3Å; L270-I272 HydrophobicContact CB-CD1 4.15Å; L270-I272 HydrophobicContact CB-CG1 4.19Å; L270-E295 CarbonylContact O-C 3.58Å; L270-E295 VanDerWaalsContact O-CA 3.25Å; L270-E295 WeakPolarHBondContact O-CA 3.38Å; L270-L296 HydrophobicContact CB-CB 4.43Å; L270-L296 WeakPolarHBondContact CB-O 3.36Å; L270-L296 HydrophobicContact CD1-CD2 4.4Å; L270-L296 PolarHBondContact N-O 2.79Å; L270-L296 PolarHBondContact O-N 3.12Å
271	E	97	Very high	96	Very high	49 Å²	49	36 Å²	36	23%	0.229	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	116.5	167.1	-67.1	175.9	-173.7	0	0	109.4	G219 E220 Q221 D224 E295	G219-E271 WeakPolarHBondContact CA-O 3.25Å; E220-E271 HydrophobicContact CB-CB 3.77Å; E220-E271 PolarHBondContact N-O 3.43Å; Q221-E271 PolarHBondContact NE2-OE2 3.41Å; D224-E271 WeakPolarHBondContact CB-O 3.29Å; D224-E271 PolarHBondContact OD1-N 2.91Å; D224-E271 VanDerWaalsContact OD1-N 3.1Å; E271-E295 HydrophobicContact CG-CG 4.45Å
272	I	97.3	Very high	95.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.4	-172.3	-61.8	151.1	0	0	0	110.4	C217 I228 F261 L270 H293 F294 L296	C217-I272 HydrophobicContact CB-CG2 4.12Å; I228-I272 HydrophobicContact CD1-CG1 4.01Å; I228-I272 HydrophobicContact CD1-CG2 4.25Å; I228-I272 HydrophobicContact CG1-CG1 4.48Å; F261-I272 HydrophobicContact CD1-CD1 4.41Å; F261-I272 HydrophobicContact CE1-CD1 3.45Å; F261-I272 VanDerWaalsContact CE1-CD1 3.45Å; F261-I272 HydrophobicContact CE1-CG1 4.2Å; F261-I272 HydrophobicContact CE1-CG2 4.46Å; F261-I272 HydrophobicContact CZ-CD1 3.64Å; F261-I272 HydrophobicContact CZ-CG1 4.49Å; F261-I272 HydrophobicContact CZ-CG2 4.21Å; L270-I272 HydrophobicContact CB-CD1 4.15Å; L270-I272 HydrophobicContact CB-CG1 4.19Å; I272-H293 WeakPolarHBondContact O-CA 3.23Å; I272-F294 HydrophobicContact CB-CD2 4.44Å; I272-F294 HydrophobicContact CB-CE2 4.09Å; I272-F294 HydrophobicContact CB-CZ 4.2Å; I272-F294 HydrophobicContact CD1-CD2 4.26Å; I272-F294 HydrophobicContact CD1-CE2 3.68Å; I272-F294 HydrophobicContact CD1-CZ 4.37Å; I272-F294 HydrophobicContact CG2-CE1 4.22Å; I272-F294 HydrophobicContact CG2-CE2 4.19Å; I272-F294 HydrophobicContact CG2-CZ 3.82Å; I272-F294 PolarHBondContact N-O 3.11Å; I272-F294 PolarHBondContact O-N 3.29Å; I272-F294 VanDerWaalsContact O-N 3.09Å; I272-L296 HydrophobicContact CD1-CB 3.6Å; I272-L296 HydrophobicContact CD1-CD2 4.19Å
273	E	96.7	Very high	95.7	Very high	14 Å²	14	43.4 Å²	43.4	7%	0.065	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.1	175.1	-171.7	174.8	103.7	0	0	109.9	C217 E218 K275 R285 M291	C217-E273 VanDerWaalsContact CA-O 3.32Å; C217-E273 WeakPolarHBondContact CA-O 3.46Å; E218-E273 PolarHBondContact N-O 2.86Å; E218-E273 PolarHBondContact O-N 3.29Å; E273-K275 WeakPolarHBondContact OE1-CE 3.29Å; E273-K275 IonicContact OE1-NZ 3.88Å; E273-K275 PolarHBondContact OE1-NZ 3.35Å; E273-R285 IonicContact OE2-NE 3.87Å; E273-M291 HydrophobicContact CG-CE 3.63Å; E273-M291 WeakPolarHBondContact OE1-CE 3.25Å; E273-M291 WeakPolarHBondContact OE2-CE 3.48Å
274	C	97.4	Very high	95.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.7	175	-64.3	0	0	0	0	110.9	L180 A216 C217 M291 V292	L180-C274 HydrophobicContact CD1-CB 4.17Å; L180-C274 HydrophobicContact CD2-CB 4.07Å; A216-C274 CarbonylContact O-C 3.49Å; A216-C274 WeakPolarHBondContact O-CA 3.31Å; C217-C274 HydrophobicContact CB-CB 4.06Å; C217-C274 WeakPolarHBondContact CB-SG 3.35Å; C217-C274 WeakPolarHBondContact SG-CB 3.14Å; C217-C274 CovalentContact SG-SG 2.03Å; C217-C274 PolarHBondContact SG-SG 3.33Å; C274-M291 CarbonylContact O-C 3.58Å; C274-M291 WeakPolarHBondContact O-CA 3.28Å; C274-V292 HydrophobicContact CB-CG1 3.85Å; C274-V292 PolarHBondContact N-O 3.33Å; C274-V292 PolarHBondContact O-N 2.94Å
275	K	97.2	Very high	95.1	Very high	33 Å²	33	49.3 Å²	49.3	14%	0.143	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.6	179.7	-72.7	167.5	-178.9	143.3	0	111.5	V215 A216 E218 E273 Y277 G290 M291	V215-K275 WeakPolarHBondContact CA-O 3.49Å; A216-K275 PolarHBondContact N-O 3.47Å; A216-K275 PolarHBondContact O-N 3.26Å; E218-K275 IonicContact OE1-NZ 2.75Å; E218-K275 PolarHBondContact OE1-NZ 3.06Å; E273-K275 WeakPolarHBondContact OE1-CE 3.29Å; E273-K275 IonicContact OE1-NZ 3.88Å; E273-K275 PolarHBondContact OE1-NZ 3.35Å; K275-Y277 HydrophobicContact CB-CD2 4.34Å; K275-Y277 HydrophobicContact CB-CE2 3.5Å; K275-Y277 WeakPolarHBondContact CD-OH 3.31Å; K275-Y277 WeakPolarHBondContact O-CE2 3.37Å; K275-G290 WeakPolarHBondContact CA-O 3.31Å; K275-M291 HydrophobicContact CG-CB 3.94Å
276	A	97.2	Very high	94.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.5	171.6	0	0	0	0	0	109.4	M87 L182 V213 A214 I281 H283 G290	M87-A276 HydrophobicContact CE-CB 4.05Å; M87-A276 HydrophobicContact CG-CB 3.9Å; M87-A276 HydrophobicContact SD-CB 3.41Å; M87-A276 WeakPolarHBondContact SD-CB 3.49Å; M87-A276 PolarHBondContact SD-N 3.15Å; L182-A276 HydrophobicContact CD2-CB 3.85Å; V213-A276 HydrophobicContact CG1-CB 3.74Å; A214-A276 CarbonylContact O-C 3.56Å; A214-A276 WeakPolarHBondContact O-CA 3.25Å; A276-I281 HydrophobicContact CB-CD1 3.92Å; A276-I281 WeakPolarHBondContact O-CG2 3.29Å; A276-H283 PolarHBondContact O-NE2 3.24Å; A276-G290 PolarHBondContact N-O 2.79Å
277	Y	96.4	Very high	94.1	Very high	15 Å²	15	55.3 Å²	55.3	6%	0.059	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.7	-174	-64.9	-91.3	0	0	0	110.3	P199 I201 I202 A214 A216 K275 H283	P199-Y277 HydrophobicContact CB-CD1 4.44Å; P199-Y277 HydrophobicContact CB-CE1 4.24Å; P199-Y277 HydrophobicContact CG-CD1 3.9Å; P199-Y277 HydrophobicContact CG-CE1 4.05Å; I201-Y277 HydrophobicContact CG2-CE1 4.13Å; I201-Y277 HydrophobicContact CG2-CE2 4.31Å; I202-Y277 HydrophobicContact CD1-CD1 4.34Å; I202-Y277 HydrophobicContact CD1-CG 3.97Å; I202-Y277 HydrophobicContact CG1-CG 4.37Å; I202-Y277 HydrophobicContact CG2-CD2 3.83Å; I202-Y277 HydrophobicContact CG2-CE2 4.25Å; I202-Y277 HydrophobicContact CG2-CG 4.15Å; A214-Y277 PolarHBondContact N-O 2.8Å; A214-Y277 PolarHBondContact O-N 3.33Å; A216-Y277 HydrophobicContact CB-CD2 4.43Å; A216-Y277 HydrophobicContact CB-CE2 3.76Å; K275-Y277 HydrophobicContact CB-CD2 4.34Å; K275-Y277 HydrophobicContact CB-CE2 3.5Å; K275-Y277 WeakPolarHBondContact CD-OH 3.31Å; K275-Y277 WeakPolarHBondContact O-CE2 3.37Å; Y277-H283 AromaticContact CD1-CE1 3.72Å; Y277-H283 AromaticContact CE1-CE1 3.63Å
278	A	95.5	Very high	93.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	28%	0.282	C	S	.	.			trans	-152.5	156.9	163.6	0	0	0	0	0	106.4	P190 Y193 N280 I281	P190-A278 HydrophobicContact CB-CB 4.12Å; Y193-A278 PolarHBondContact OH-O 3.01Å; A278-N280 PolarHBondContact O-N 3.37Å; A278-I281 HydrophobicContact CB-CD1 3.85Å; A278-I281 HydrophobicContact CB-CG1 4.03Å; A278-I281 PolarHBondContact O-N 2.91Å
279	Y	94.5	Very high	93.4	Very high	142 Å²	142	61.4 Å²	61.4	56%	0.557	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.4	-173.6	-175	-107.6	0	0	0	113.7	V191 Y193 P194	V191-Y279 HydrophobicContact CG1-CD1 4Å; V191-Y279 HydrophobicContact CG1-CG 4.45Å; V191-Y279 WeakPolarHBondContact O-CB 3.43Å; V191-Y279 PolarHBondContact O-N 2.9Å; Y193-Y279 AromaticContact CD1-CD2 3.91Å; Y193-Y279 HydrophobicContact CD1-CD2 3.91Å; Y193-Y279 HydrophobicContact CE1-CD2 4.25Å; P194-Y279 HydrophobicContact CG-CD2 4.42Å; P194-Y279 HydrophobicContact CG-CE2 4.18Å
280	N	93.9	Very high	93.2	Very high	42 Å²	42	57.6 Å²	57.6	23%	0.225	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	9.9	179.1	65.6	-33.7	0	0	0	114.7	W188 K189 V191 A278	W188-N280 PolarHBondContact NE1-ND2 3.24Å; K189-N280 PolarHBondContact O-ND2 3.25Å; V191-N280 HydrophobicContact CB-CB 4.16Å; V191-N280 HydrophobicContact CG2-CB 3.99Å; V191-N280 PolarHBondContact N-OD1 2.83Å; A278-N280 PolarHBondContact O-N 3.37Å
281	I	95	Very high	93.1	Very high	9 Å²	9	58 Å²	58	5%	0.046	26%	0.264	C	S	.	.			trans	-99.3	125.5	171.1	-63.3	175.3	0	0	0	107.9	P85 W188 V213 A276 A278	P85-I281 HydrophobicContact CG-CD1 4.31Å; P85-I281 HydrophobicContact CG-CG1 4.16Å; W188-I281 HydrophobicContact CH2-CD1 4.12Å; W188-I281 HydrophobicContact CH2-CG1 4.38Å; W188-I281 HydrophobicContact CZ2-CD1 4.06Å; W188-I281 HydrophobicContact CZ2-CG1 3.82Å; V213-I281 HydrophobicContact CG1-CD1 3.97Å; A276-I281 HydrophobicContact CB-CD1 3.92Å; A276-I281 WeakPolarHBondContact O-CG2 3.29Å; A278-I281 HydrophobicContact CB-CD1 3.85Å; A278-I281 HydrophobicContact CB-CG1 4.03Å; A278-I281 PolarHBondContact O-N 2.91Å
282	M	93	Very high	93.1	Very high	138 Å²	138	56.3 Å²	56.3	68%	0.68	26%	0.257	S	S	*	.			trans	-105.1	142.1	172.5	-52	174.9	60.9	0	0	109.2	N84 L289	N84-M282 WeakPolarHBondContact ND2-CA 3.33Å; N84-M282 VanDerWaalsContact ND2-CB 3.35Å; N84-M282 WeakPolarHBondContact ND2-CB 3.28Å; N84-M282 PolarHBondContact ND2-N 2.88Å; N84-M282 PolarHBondContact ND2-O 3.19Å; N84-M282 PolarHBondContact OD1-N 3.23Å; M282-L289 CarbonylContact O-C 3.42Å
283	H	93.4	Very high	93	Very high	73 Å²	73	58.3 Å²	58.3	34%	0.338	27%	0.266	S	S	.	.			trans	-96	128	176.4	-53.2	112.9	0	0	0	110	A276 Y277 L289 G290	A276-H283 PolarHBondContact O-NE2 3.24Å; Y277-H283 AromaticContact CD1-CE1 3.72Å; Y277-H283 AromaticContact CE1-CE1 3.63Å; H283-L289 WeakPolarHBondContact CA-O 3.12Å; H283-G290 PolarHBondContact CD2-O 2.9Å
284	D	90.5	Very high	92.9	Very high	56 Å²	56	57.7 Å²	57.7	30%	0.299	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-146.3	116.1	171.9	-170	-33.1	0	0	0	109.3	T286 F287 R288 L289 M291	D284-T286 VanDerWaalsContact C-N 3.32Å; D284-T286 PolarHBondContact O-N 2.99Å; D284-T286 WeakPolarHBondContact OD1-CA 3.02Å; D284-T286 VanDerWaalsContact OD1-CB 3.25Å; D284-T286 WeakPolarHBondContact OD1-CB 3.31Å; D284-T286 PolarHBondContact OD1-N 3.43Å; D284-T286 PolarHBondContact OD1-OG1 3.41Å; D284-F287 WeakPolarHBondContact OD2-CD2 3.35Å; D284-R288 CarbonylContact O-C 3.56Å; D284-R288 VanDerWaalsContact O-CA 3.29Å; D284-R288 WeakPolarHBondContact O-CA 3.1Å; D284-R288 PolarHBondContact O-N 3.38Å; D284-L289 HydrophobicContact CB-CB 4.15Å; D284-L289 HydrophobicContact CB-CD1 4.17Å; D284-L289 HydrophobicContact CB-CG 4.38Å; D284-L289 PolarHBondContact N-O 3.23Å; D284-L289 PolarHBondContact O-N 3.18Å; D284-M291 VanDerWaalsContact C-SD 3.51Å
285	R	88.1	Confident	92.9	Very high	145 Å²	145	59.8 Å²	59.8	55%	0.547	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-30.9	-178.2	-168.5	165.1	168.2	-175.2	-9.9	112.5	E220 E273 M291	E220-R285 IonicContact OE1-CZ 2.7Å; E220-R285 IonicContact OE1-NE 2.96Å; E220-R285 IonicContact OE1-NH2 3.79Å; E220-R285 PolarHBondContact OE1-NH2 2.94Å; E273-R285 IonicContact OE2-NE 3.87Å; R285-M291 WeakPolarHBondContact CA-SD 3.37Å; R285-M291 HydrophobicContact CB-CE 3.96Å; R285-M291 HydrophobicContact CB-SD 4.08Å; R285-M291 HydrophobicContact CG-CE 3.97Å
286	T	85.8	Confident	92.9	Very high	119 Å²	119	58.3 Å²	58.3	73%	0.73	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-43.7	-179.8	-44.9	0	0	0	0	111.1	D284	D284-T286 VanDerWaalsContact C-N 3.32Å; D284-T286 PolarHBondContact O-N 2.99Å; D284-T286 WeakPolarHBondContact OD1-CA 3.02Å; D284-T286 VanDerWaalsContact OD1-CB 3.25Å; D284-T286 WeakPolarHBondContact OD1-CB 3.31Å; D284-T286 PolarHBondContact OD1-N 3.43Å; D284-T286 PolarHBondContact OD1-OG1 3.41Å
287	F	83.1	Confident	92.8	Very high	148 Å²	148	59.8 Å²	59.8	65%	0.649	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	3.9	-178.3	-63.3	-68.3	0	0	0	113.3	D284 L289	D284-F287 WeakPolarHBondContact OD2-CD2 3.35Å; F287-L289 HydrophobicContact CB-CD1 3.93Å; F287-L289 HydrophobicContact CB-CD2 4.35Å; F287-L289 HydrophobicContact CB-CG 3.68Å; F287-L289 PolarHBondContact O-N 3.1Å
288	R	84.3	Confident	92.8	Very high	172 Å²	172	59.2 Å²	59.2	65%	0.649	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	42.8	-175.2	-60.2	-179	176.4	-174.8	-3.4	112.3	D284	D284-R288 CarbonylContact O-C 3.56Å; D284-R288 VanDerWaalsContact O-CA 3.29Å; D284-R288 WeakPolarHBondContact O-CA 3.1Å; D284-R288 PolarHBondContact O-N 3.38Å
289	L	90.7	Very high	92.8	Very high	52 Å²	52	61 Å²	61	27%	0.272	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-85.9	132.9	-179.6	-62.6	177.8	0	0	0	110.1	M282 H283 D284 F287 M291	M282-L289 CarbonylContact O-C 3.42Å; H283-L289 WeakPolarHBondContact CA-O 3.12Å; D284-L289 HydrophobicContact CB-CB 4.15Å; D284-L289 HydrophobicContact CB-CD1 4.17Å; D284-L289 HydrophobicContact CB-CG 4.38Å; D284-L289 PolarHBondContact N-O 3.23Å; D284-L289 PolarHBondContact O-N 3.18Å; F287-L289 HydrophobicContact CB-CD1 3.93Å; F287-L289 HydrophobicContact CB-CD2 4.35Å; F287-L289 HydrophobicContact CB-CG 3.68Å; F287-L289 PolarHBondContact O-N 3.1Å; L289-M291 WeakPolarHBondContact O-CG 3.05Å; L289-M291 PolarHBondContact O-N 2.95Å; L289-M291 VanDerWaalsContact O-N 3.07Å
290	G	93.4	Very high	92.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	11.6	179.1	0	0	0	0	0	115.2	P85 K275 A276 H283	P85-G290 WeakPolarHBondContact O-CA 3.36Å; P85-G290 PolarHBondContact O-N 2.86Å; K275-G290 WeakPolarHBondContact CA-O 3.31Å; A276-G290 PolarHBondContact N-O 2.79Å; H283-G290 PolarHBondContact CD2-O 2.9Å
291	M	95.2	Very high	92.4	Very high	10 Å²	10	59.4 Å²	59.4	5%	0.049	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	159.2	-172.3	67.4	-163.5	-69.8	0	0	112.6	E273 C274 K275 D284 R285 L289	E273-M291 HydrophobicContact CG-CE 3.63Å; E273-M291 WeakPolarHBondContact OE1-CE 3.25Å; E273-M291 WeakPolarHBondContact OE2-CE 3.48Å; C274-M291 CarbonylContact O-C 3.58Å; C274-M291 WeakPolarHBondContact O-CA 3.28Å; K275-M291 HydrophobicContact CG-CB 3.94Å; D284-M291 VanDerWaalsContact C-SD 3.51Å; R285-M291 WeakPolarHBondContact CA-SD 3.37Å; R285-M291 HydrophobicContact CB-CE 3.96Å; R285-M291 HydrophobicContact CB-SD 4.08Å; R285-M291 HydrophobicContact CG-CE 3.97Å; L289-M291 WeakPolarHBondContact O-CG 3.05Å; L289-M291 PolarHBondContact O-N 2.95Å; L289-M291 VanDerWaalsContact O-N 3.07Å
292	V	95.7	Very high	92.3	Very high	14 Å²	14	62.1 Å²	62.1	9%	0.085	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142.9	176.4	64.4	0	0	0	0	109.8	M87 Y89 L180 C274	M87-V292 HydrophobicContact CB-CB 3.71Å; M87-V292 HydrophobicContact CB-CG1 3.84Å; M87-V292 HydrophobicContact CE-CG1 4.31Å; M87-V292 HydrophobicContact SD-CG1 4.45Å; Y89-V292 HydrophobicContact CD1-CG2 3.55Å; Y89-V292 HydrophobicContact CE1-CG2 4.39Å; Y89-V292 HydrophobicContact CG-CG2 4.39Å; L180-V292 HydrophobicContact CD2-CG1 4.08Å; C274-V292 HydrophobicContact CB-CG1 3.85Å; C274-V292 PolarHBondContact N-O 3.33Å; C274-V292 PolarHBondContact O-N 2.94Å
293	H	94.8	Very high	92.2	Very high	43 Å²	43	57.8 Å²	57.8	20%	0.199	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.2	176.2	161.1	95.8	0	0	0	109.6	E220 I272	E220-H293 IonicContact OE2-CE1 2.61Å; E220-H293 PolarHBondContact OE2-CE1 3.28Å; E220-H293 VanDerWaalsContact OE2-CE1 3.27Å; E220-H293 IonicContact OE2-CG 2.82Å; E220-H293 IonicContact OE2-ND1 3.27Å; E220-H293 PolarHBondContact OE2-ND1 3Å; I272-H293 WeakPolarHBondContact O-CA 3.23Å
294	F	95.9	Very high	92.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	162.5	165.7	59.3	-89.5	0	0	0	110.9	Y89 I102 I178 L180 F261 I272	Y89-F294 HydrophobicContact CD1-CB 4.11Å; Y89-F294 HydrophobicContact CD1-CD1 4.24Å; Y89-F294 HydrophobicContact CD2-CB 4.15Å; Y89-F294 HydrophobicContact CD2-CD1 4.29Å; Y89-F294 HydrophobicContact CD2-CG 4.25Å; Y89-F294 HydrophobicContact CE1-CB 3.76Å; Y89-F294 HydrophobicContact CE2-CB 3.83Å; Y89-F294 HydrophobicContact CE2-CG 4.36Å; Y89-F294 HydrophobicContact CG-CB 4.29Å; Y89-F294 HydrophobicContact CG-CD1 4Å; Y89-F294 HydrophobicContact CG-CG 4.35Å; I102-F294 HydrophobicContact CD1-CD2 4.13Å; I178-F294 HydrophobicContact CB-CZ 4.28Å; I178-F294 HydrophobicContact CG1-CE2 4.11Å; I178-F294 HydrophobicContact CG1-CZ 4.22Å; I178-F294 HydrophobicContact CG2-CE1 4.1Å; I178-F294 HydrophobicContact CG2-CE2 4.33Å; I178-F294 HydrophobicContact CG2-CZ 3.93Å; L180-F294 HydrophobicContact CD2-CE1 4.4Å; F261-F294 HydrophobicContact CE2-CE2 4.17Å; F261-F294 HydrophobicContact CE2-CZ 4.1Å; F261-F294 AromaticContact CZ-CE2 3.92Å; F261-F294 HydrophobicContact CZ-CE2 3.92Å; F261-F294 AromaticContact CZ-CZ 3.81Å; F261-F294 HydrophobicContact CZ-CZ 3.81Å; I272-F294 HydrophobicContact CB-CD2 4.44Å; I272-F294 HydrophobicContact CB-CE2 4.09Å; I272-F294 HydrophobicContact CB-CZ 4.2Å; I272-F294 HydrophobicContact CD1-CD2 4.26Å; I272-F294 HydrophobicContact CD1-CE2 3.68Å; I272-F294 HydrophobicContact CD1-CZ 4.37Å; I272-F294 HydrophobicContact CG2-CE1 4.22Å; I272-F294 HydrophobicContact CG2-CE2 4.19Å; I272-F294 HydrophobicContact CG2-CZ 3.82Å; I272-F294 PolarHBondContact N-O 3.11Å; I272-F294 PolarHBondContact O-N 3.29Å; I272-F294 VanDerWaalsContact O-N 3.09Å
295	E	96.7	Very high	92.3	Very high	45 Å²	45	57 Å²	57	21%	0.21	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.2	179	-60.7	169.2	174.3	0	0	109.9	T100 L101 I102 L269 L270 E271	T100-E295 PolarHBondContact O-N 3.04Å; L101-E295 HydrophobicContact CB-CB 4.47Å; L101-E295 HydrophobicContact CD1-CB 3.9Å; I102-E295 PolarHBondContact N-O 3.41Å; L269-E295 HydrophobicContact CD1-CB 4.07Å; L270-E295 CarbonylContact O-C 3.58Å; L270-E295 VanDerWaalsContact O-CA 3.25Å; L270-E295 WeakPolarHBondContact O-CA 3.38Å; E271-E295 HydrophobicContact CG-CG 4.45Å
296	L	97	Very high	92.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.2	177.3	178.9	66.6	0	0	0	109.8	I102 I104 P176 F261 P264 L270 I272 V298	I102-L296 HydrophobicContact CB-CD1 4.05Å; I102-L296 HydrophobicContact CG2-CD1 3.98Å; I104-L296 HydrophobicContact CD1-CD1 4.14Å; P176-L296 HydrophobicContact CG-CD1 3.95Å; P176-L296 HydrophobicContact CG-CD2 4.16Å; F261-L296 HydrophobicContact CB-CD2 4.38Å; F261-L296 HydrophobicContact CD1-CD2 3.88Å; F261-L296 HydrophobicContact CD2-CD2 4.23Å; F261-L296 HydrophobicContact CE1-CD2 4.25Å; F261-L296 HydrophobicContact CG-CD2 3.89Å; P264-L296 HydrophobicContact CB-CD2 4.35Å; L270-L296 HydrophobicContact CB-CB 4.43Å; L270-L296 WeakPolarHBondContact CB-O 3.36Å; L270-L296 HydrophobicContact CD1-CD2 4.4Å; L270-L296 PolarHBondContact N-O 2.79Å; L270-L296 PolarHBondContact O-N 3.12Å; I272-L296 HydrophobicContact CD1-CB 3.6Å; I272-L296 HydrophobicContact CD1-CD2 4.19Å; L296-V298 HydrophobicContact CD1-CG2 4.05Å; L296-V298 HydrophobicContact CD2-CG2 4.29Å; L296-V298 HydrophobicContact CG-CG2 4.04Å
297	L	96.7	Very high	93	Very high	32 Å²	32	46.3 Å²	46.3	17%	0.168	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	119.4	171.2	175.2	60.8	0	0	0	108.8	L101 I102 Y103 I104 V268 L269	L101-L297 HydrophobicContact CD1-CB 4Å; I102-L297 PolarHBondContact O-N 3.21Å; Y103-L297 HydrophobicContact CD2-CB 4.14Å; Y103-L297 HydrophobicContact CD2-CD2 3.72Å; Y103-L297 HydrophobicContact CD2-CG 3.87Å; Y103-L297 HydrophobicContact CE2-CD2 3.85Å; Y103-L297 HydrophobicContact CE2-CG 4.07Å; I104-L297 PolarHBondContact N-O 3.47Å; V268-L297 WeakPolarHBondContact O-CD1 3.36Å; L269-L297 HydrophobicContact CD1-CB 4.03Å
298	V	96.3	Very high	93.8	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	108.2	177.6	-175.4	0	0	0	0	108.7	I104 K106 P264 E266 G267 L296	I104-V298 HydrophobicContact CB-CG2 4.43Å; I104-V298 HydrophobicContact CD1-CG2 4.33Å; I104-V298 CarbonylContact O-C 3.56Å; I104-V298 WeakPolarHBondContact O-CA 3.46Å; K106-V298 VanDerWaalsContact CE-CG1 3.42Å; K106-V298 HydrophobicContact CG-CG1 4.42Å; P264-V298 HydrophobicContact CB-CG2 4.49Å; P264-V298 HydrophobicContact CG-CG2 4.03Å; E266-V298 CarbonylContact C-O 3.47Å; E266-V298 WeakPolarHBondContact CA-O 3.07Å; G267-V298 PolarHBondContact N-O 2.77Å; L296-V298 HydrophobicContact CD1-CG2 4.05Å; L296-V298 HydrophobicContact CD2-CG2 4.29Å; L296-V298 HydrophobicContact CG-CG2 4.04Å
299	D	94.6	Very high	94.6	Very high	39 Å²	39	27.3 Å²	27.3	21%	0.209	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	150.1	171.9	-76.9	-12.3	0	0	0	111	Y103 I104 N105 K106	Y103-D299 HydrophobicContact CE2-CB 4.33Å; Y103-D299 WeakPolarHBondContact CE2-OD2 2.88Å; Y103-D299 VanDerWaalsContact CZ-OD2 3.32Å; Y103-D299 PolarHBondContact OH-OD2 2.82Å; I104-D299 PolarHBondContact O-N 2.82Å; N105-D299 HydrophobicContact CB-CB 4.49Å; K106-D299 WeakPolarHBondContact CG-O 3.36Å; K106-D299 PolarHBondContact N-O 3.42Å; K106-D299 VanDerWaalsContact N-O 3.13Å
300	P	88.1	Confident	94.9	Very high	90 Å²	90	25.1 Å²	25.1	58%	0.584	14%	0.138	S	C	*	.			trans	-63.6	0	173.5	28.1	-34.7	0	0	0	113.7	N105 K106 S107	N105-P300 PolarHBondContact OD1-O 2.84Å; K106-P300 WeakPolarHBondContact CB-OXT 3.3Å; S107-P300 PolarHBondContact OG-O 3.23Å; S107-P300 PolarHBondContact OG-OXT 2.84Å

Retrieved 300 of 300 residues in 504.6 ms (Link to these results)

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